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 1p0f_1_A DATA FIRST_RESID 1001 DATA SEQUENCE CTAGKDITCK AAVAWEPHKP LSLETITVAP PKAHEVRIKI LASGICGSDS DATA SEQUENCE SVLKEIIPSK FPVILGHEAV GVVESIGAGV TCVKPGDKVI PLFVPQCGSC DATA SEQUENCE RACKSSNSNF CEKNDMGAKT GLMADMTSRF TCRGKPIYNL MGTSTFTEYT DATA SEQUENCE VVADIAVAKI DPKAPLESCL IGCGFATGYG AAVNTAKVTP GSTCAVFGLG DATA SEQUENCE GVGFSAIVGC KAAGASRIIG VGTHKDKFPK AIELGATECL NPKDYDKPIY DATA SEQUENCE EVICEKTNGG VDYAVECAGR IETMMNALQS TYCGSGVTVV LGLASPNERL DATA SEQUENCE PLDPLLLLTG RSLKGSVFGG FKGEEVSRLV DDYMKKKINV NFLVSTKLTL DATA SEQUENCE DQINKAFELL SSGQGVRSIM IY 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1001 C C 0.000 174.982 174.990 -0.014 0.000 1.270 1001 C CA 0.000 59.017 59.018 -0.002 0.000 1.963 1001 C CB 0.000 27.739 27.740 -0.002 0.000 2.134 1002 T N 1.187 115.729 114.554 -0.020 0.000 3.023 1002 T HA 0.460 4.811 4.350 0.001 0.000 0.253 1002 T C 0.808 175.484 174.700 -0.040 0.000 1.038 1002 T CA 0.691 62.764 62.100 -0.046 0.000 0.962 1002 T CB 0.089 68.904 68.868 -0.088 0.000 1.018 1002 T HN 1.678 nan 8.240 nan 0.000 0.521 1003 A N 1.092 123.900 122.820 -0.020 0.000 2.567 1003 A HA 0.495 4.815 4.320 0.001 0.000 0.240 1003 A C 1.758 179.328 177.584 -0.023 0.000 1.053 1003 A CA 0.401 52.428 52.037 -0.017 0.000 0.755 1003 A CB -1.143 17.852 19.000 -0.008 0.000 0.978 1003 A HN 1.506 nan 8.150 nan 0.000 0.507 1004 G N 1.674 110.458 108.800 -0.026 0.000 2.166 1004 G HA2 -0.251 3.710 3.960 0.001 0.000 0.260 1004 G HA3 -0.251 3.710 3.960 0.001 0.000 0.260 1004 G C 0.143 175.024 174.900 -0.031 0.000 0.986 1004 G CA 1.091 46.174 45.100 -0.028 0.000 0.683 1004 G HN 0.922 nan 8.290 nan 0.000 0.527 1005 K N 0.115 120.492 120.400 -0.039 0.000 2.385 1005 K HA 0.448 4.769 4.320 0.001 0.000 0.248 1005 K C -0.913 175.653 176.600 -0.055 0.000 0.955 1005 K CA -1.140 55.121 56.287 -0.043 0.000 0.816 1005 K CB 1.493 33.967 32.500 -0.043 0.000 1.250 1005 K HN 0.027 nan 8.250 nan 0.000 0.434 1006 D N 1.639 122.011 120.400 -0.047 0.000 2.382 1006 D HA 0.183 4.824 4.640 0.001 0.000 0.245 1006 D C -0.129 176.126 176.300 -0.075 0.000 1.120 1006 D CA 0.321 54.291 54.000 -0.049 0.000 0.890 1006 D CB 0.864 41.647 40.800 -0.028 0.000 1.201 1006 D HN 0.273 nan 8.370 nan 0.000 0.433 1007 I N 1.043 121.553 120.570 -0.100 0.000 2.441 1007 I HA 0.121 4.292 4.170 0.001 0.000 0.295 1007 I C 0.256 176.319 176.117 -0.089 0.000 0.994 1007 I CA -0.442 60.759 61.300 -0.165 0.000 1.144 1007 I CB 1.900 39.672 38.000 -0.381 0.000 1.314 1007 I HN 0.031 nan 8.210 nan 0.000 0.445 1008 T N 5.317 119.829 114.554 -0.070 0.000 2.749 1008 T HA 0.497 4.848 4.350 0.001 0.000 0.287 1008 T C -0.396 174.305 174.700 0.001 0.000 0.970 1008 T CA -0.424 61.666 62.100 -0.016 0.000 0.980 1008 T CB 0.625 69.488 68.868 -0.008 0.000 0.924 1008 T HN 0.806 nan 8.240 nan 0.000 0.456 1009 C N 2.372 121.695 119.300 0.040 0.000 3.336 1009 C HA 0.814 5.275 4.460 0.001 0.000 0.339 1009 C C -0.803 174.210 174.990 0.038 0.000 1.468 1009 C CA -1.331 57.733 59.018 0.076 0.000 1.287 1009 C CB 1.211 29.076 27.740 0.207 0.000 1.682 1009 C HN 0.884 nan 8.230 nan 0.000 0.451 1010 K N 0.943 121.349 120.400 0.009 0.000 2.118 1010 K HA 0.778 5.099 4.320 0.001 0.000 0.267 1010 K C -0.454 176.092 176.600 -0.089 0.000 0.991 1010 K CA 0.219 56.479 56.287 -0.045 0.000 0.916 1010 K CB 1.380 33.834 32.500 -0.076 0.000 1.041 1010 K HN 1.441 nan 8.250 nan 0.000 0.455 1011 A N 1.612 124.375 122.820 -0.096 0.000 2.608 1011 A HA 0.665 4.986 4.320 0.001 0.000 0.292 1011 A C -1.779 175.748 177.584 -0.095 0.000 1.066 1011 A CA -0.732 51.234 52.037 -0.118 0.000 0.676 1011 A CB 1.443 20.342 19.000 -0.168 0.000 1.277 1011 A HN 0.726 nan 8.150 nan 0.000 0.413 1012 A N 0.847 123.629 122.820 -0.063 0.000 2.249 1012 A HA 0.632 4.953 4.320 0.001 0.000 0.314 1012 A C -0.521 177.019 177.584 -0.074 0.000 1.290 1012 A CA -0.357 51.650 52.037 -0.050 0.000 0.893 1012 A CB 0.158 19.129 19.000 -0.049 0.000 1.165 1012 A HN 1.348 nan 8.150 nan 0.000 0.530 1013 V N 1.965 121.787 119.914 -0.153 0.000 2.483 1013 V HA 0.625 4.746 4.120 0.001 0.000 0.295 1013 V C 0.606 176.523 176.094 -0.294 0.000 1.035 1013 V CA -0.328 61.767 62.300 -0.341 0.000 0.896 1013 V CB 1.655 33.063 31.823 -0.690 0.000 0.986 1013 V HN 1.043 nan 8.190 nan 0.000 0.447 1014 A N 3.619 126.301 122.820 -0.230 0.000 2.444 1014 A HA 0.390 4.711 4.320 0.001 0.000 0.332 1014 A C 0.200 177.820 177.584 0.059 0.000 1.430 1014 A CA -0.439 51.595 52.037 -0.004 0.000 0.975 1014 A CB -0.185 18.888 19.000 0.121 0.000 1.147 1014 A HN 0.989 nan 8.150 nan 0.000 0.524 1015 W N 1.467 122.864 121.300 0.161 0.000 2.467 1015 W HA 0.075 4.736 4.660 0.001 0.000 0.275 1015 W C 1.196 177.826 176.519 0.184 0.000 1.239 1015 W CA 1.246 58.686 57.345 0.158 0.000 1.266 1015 W CB 0.374 29.878 29.460 0.073 0.000 1.112 1015 W HN 0.780 nan 8.180 nan 0.000 0.576 1016 E N -1.729 118.643 120.200 0.286 0.000 2.416 1016 E HA 0.311 4.661 4.350 0.001 0.000 0.280 1016 E C -2.935 173.470 176.600 -0.327 0.000 1.055 1016 E CA -2.284 54.037 56.400 -0.132 0.000 0.825 1016 E CB 1.792 31.465 29.700 -0.046 0.000 1.312 1016 E HN -0.358 nan 8.360 nan 0.000 0.452 1017 P HA 0.095 nan 4.420 nan 0.000 0.274 1017 P C -0.626 176.519 177.300 -0.259 0.000 1.256 1017 P CA 0.032 62.780 63.100 -0.587 0.000 0.795 1017 P CB 0.101 31.298 31.700 -0.839 0.000 1.038 1018 H N -2.624 116.419 119.070 -0.044 0.000 2.958 1018 H HA -0.132 4.424 4.556 0.001 0.000 0.274 1018 H C -0.196 175.122 175.328 -0.015 0.000 1.184 1018 H CA 0.998 57.035 56.048 -0.018 0.000 1.143 1018 H CB -1.561 28.183 29.762 -0.030 0.000 1.297 1018 H HN 0.430 nan 8.280 nan 0.000 0.356 1019 K N 0.057 120.487 120.400 0.049 0.000 2.477 1019 K HA 0.454 4.775 4.320 0.001 0.000 0.255 1019 K C -2.432 174.162 176.600 -0.009 0.000 0.952 1019 K CA -1.814 54.494 56.287 0.035 0.000 0.826 1019 K CB 1.950 34.478 32.500 0.048 0.000 1.331 1019 K HN -0.136 nan 8.250 nan 0.000 0.437 1020 P HA 0.134 nan 4.420 nan 0.000 0.269 1020 P C -0.224 177.032 177.300 -0.072 0.000 1.215 1020 P CA -0.224 62.832 63.100 -0.075 0.000 0.780 1020 P CB 0.435 32.113 31.700 -0.037 0.000 0.898 1021 L N 1.130 122.255 121.223 -0.164 0.000 2.456 1021 L HA 0.113 4.454 4.340 0.001 0.000 0.272 1021 L C 0.509 177.364 176.870 -0.025 0.000 1.189 1021 L CA 0.281 55.053 54.840 -0.113 0.000 0.846 1021 L CB 0.162 42.098 42.059 -0.204 0.000 1.111 1021 L HN 0.371 nan 8.230 nan 0.000 0.475 1022 S N 3.808 119.539 115.700 0.052 0.000 2.457 1022 S HA 0.403 4.873 4.470 0.001 0.000 0.289 1022 S C -0.199 174.445 174.600 0.072 0.000 1.163 1022 S CA -0.739 57.533 58.200 0.121 0.000 1.078 1022 S CB 1.163 64.570 63.200 0.345 0.000 0.987 1022 S HN 0.252 nan 8.310 nan 0.000 0.482 1023 L N 4.470 125.718 121.223 0.043 0.000 2.361 1023 L HA 0.383 4.724 4.340 0.001 0.000 0.278 1023 L C 0.614 177.514 176.870 0.050 0.000 1.113 1023 L CA 0.661 55.510 54.840 0.014 0.000 0.849 1023 L CB -0.183 41.872 42.059 -0.007 0.000 1.155 1023 L HN 0.669 nan 8.230 nan 0.000 0.452 1024 E N 2.004 122.228 120.200 0.040 0.000 2.410 1024 E HA 0.453 4.804 4.350 0.001 0.000 0.269 1024 E C -0.738 175.881 176.600 0.031 0.000 0.937 1024 E CA -0.669 55.775 56.400 0.073 0.000 0.793 1024 E CB 2.018 31.805 29.700 0.144 0.000 1.314 1024 E HN 0.303 nan 8.360 nan 0.000 0.447 1025 T N 1.885 116.467 114.554 0.047 0.000 2.767 1025 T HA 0.566 4.917 4.350 0.001 0.000 0.284 1025 T C 0.351 175.076 174.700 0.042 0.000 0.973 1025 T CA -0.443 61.676 62.100 0.032 0.000 0.996 1025 T CB 0.054 68.942 68.868 0.032 0.000 0.927 1025 T HN 0.383 nan 8.240 nan 0.000 0.456 1026 I N -0.151 120.436 120.570 0.029 0.000 3.206 1026 I HA 0.809 4.980 4.170 0.001 0.000 0.313 1026 I C -0.689 175.462 176.117 0.057 0.000 1.103 1026 I CA -0.948 60.375 61.300 0.039 0.000 0.985 1026 I CB 2.460 40.455 38.000 -0.007 0.000 1.240 1026 I HN 0.302 nan 8.210 nan 0.000 0.464 1027 T N 2.217 116.820 114.554 0.081 0.000 2.807 1027 T HA 0.578 4.929 4.350 0.001 0.000 0.279 1027 T C -0.654 174.126 174.700 0.133 0.000 0.993 1027 T CA -0.412 61.732 62.100 0.074 0.000 0.970 1027 T CB 1.758 70.656 68.868 0.050 0.000 0.950 1027 T HN 0.414 nan 8.240 nan 0.000 0.441 1028 V N 2.843 122.822 119.914 0.108 0.000 2.378 1028 V HA 0.680 4.800 4.120 0.001 0.000 0.288 1028 V C 0.556 176.658 176.094 0.013 0.000 1.016 1028 V CA -1.081 61.298 62.300 0.132 0.000 0.840 1028 V CB 1.120 33.065 31.823 0.203 0.000 0.994 1028 V HN 1.117 nan 8.190 nan 0.000 0.431 1029 A N 7.581 130.386 122.820 -0.026 0.000 2.366 1029 A HA 0.676 4.997 4.320 0.001 0.000 0.249 1029 A C -2.382 175.168 177.584 -0.056 0.000 1.084 1029 A CA -1.055 50.954 52.037 -0.047 0.000 0.794 1029 A CB -0.103 18.862 19.000 -0.059 0.000 1.034 1029 A HN 0.652 nan 8.150 nan 0.000 0.491 1030 P HA 0.226 nan 4.420 nan 0.000 0.272 1030 P C -2.491 174.781 177.300 -0.048 0.000 1.230 1030 P CA -0.972 62.101 63.100 -0.044 0.000 0.788 1030 P CB -0.020 31.656 31.700 -0.039 0.000 0.949 1031 P HA 0.123 nan 4.420 nan 0.000 0.271 1031 P C -0.407 176.866 177.300 -0.045 0.000 1.216 1031 P CA 0.227 63.301 63.100 -0.042 0.000 0.776 1031 P CB 1.027 32.711 31.700 -0.027 0.000 0.881 1032 K N 1.386 121.758 120.400 -0.046 0.000 2.646 1032 K HA 0.539 4.860 4.320 0.001 0.000 0.270 1032 K C 0.416 176.983 176.600 -0.055 0.000 1.026 1032 K CA -0.837 55.422 56.287 -0.045 0.000 1.043 1032 K CB 0.279 32.758 32.500 -0.036 0.000 1.383 1032 K HN 0.486 nan 8.250 nan 0.000 0.513 1033 A N 1.557 124.340 122.820 -0.062 0.000 2.567 1033 A HA -0.050 4.270 4.320 0.001 0.000 0.240 1033 A C -0.170 177.376 177.584 -0.063 0.000 1.053 1033 A CA 0.422 52.381 52.037 -0.130 0.000 0.755 1033 A CB -0.592 18.364 19.000 -0.074 0.000 0.978 1033 A HN 0.858 nan 8.150 nan 0.000 0.507 1034 H N 0.043 119.103 119.070 -0.018 0.000 2.791 1034 H HA -0.129 4.428 4.556 0.001 0.000 0.302 1034 H C -0.037 175.278 175.328 -0.022 0.000 1.198 1034 H CA 1.627 57.664 56.048 -0.019 0.000 1.145 1034 H CB -1.504 28.246 29.762 -0.019 0.000 1.385 1034 H HN 0.894 nan 8.280 nan 0.000 0.409 1035 E N -0.340 119.877 120.200 0.027 0.000 2.336 1035 E HA 0.693 5.044 4.350 0.001 0.000 0.267 1035 E C -0.317 176.283 176.600 0.001 0.000 0.906 1035 E CA -1.079 55.328 56.400 0.011 0.000 0.781 1035 E CB 3.043 32.735 29.700 -0.014 0.000 1.261 1035 E HN -0.033 nan 8.360 nan 0.000 0.436 1036 V N 1.577 121.494 119.914 0.005 0.000 2.577 1036 V HA 0.383 4.504 4.120 0.001 0.000 0.303 1036 V C -0.527 175.582 176.094 0.025 0.000 1.042 1036 V CA -0.788 61.521 62.300 0.015 0.000 0.872 1036 V CB 1.850 33.686 31.823 0.021 0.000 0.998 1036 V HN 0.541 nan 8.190 nan 0.000 0.423 1037 R N 4.369 124.894 120.500 0.042 0.000 2.265 1037 R HA 0.728 5.069 4.340 0.001 0.000 0.319 1037 R C -1.221 175.154 176.300 0.124 0.000 1.006 1037 R CA -0.353 55.797 56.100 0.083 0.000 0.880 1037 R CB 0.863 31.212 30.300 0.082 0.000 1.077 1037 R HN 0.717 nan 8.270 nan 0.000 0.454 1038 I N 3.738 124.392 120.570 0.140 0.000 2.474 1038 I HA 0.276 4.447 4.170 0.001 0.000 0.294 1038 I C -0.234 175.916 176.117 0.055 0.000 1.005 1038 I CA -0.848 60.512 61.300 0.100 0.000 1.113 1038 I CB 2.022 40.056 38.000 0.057 0.000 1.289 1038 I HN 0.471 nan 8.210 nan 0.000 0.436 1039 K N 6.919 127.278 120.400 -0.068 0.000 2.262 1039 K HA 0.359 4.680 4.320 0.001 0.000 0.282 1039 K C -0.547 175.923 176.600 -0.217 0.000 1.066 1039 K CA -0.605 55.409 56.287 -0.454 0.000 0.901 1039 K CB 0.628 32.907 32.500 -0.369 0.000 1.089 1039 K HN 0.444 nan 8.250 nan 0.000 0.476 1040 I N 6.539 127.017 120.570 -0.155 0.000 2.556 1040 I HA -0.050 4.121 4.170 0.001 0.000 0.284 1040 I C 1.272 177.345 176.117 -0.073 0.000 1.114 1040 I CA 0.269 61.544 61.300 -0.042 0.000 1.418 1040 I CB 0.826 38.886 38.000 0.100 0.000 1.394 1040 I HN 0.807 nan 8.210 nan 0.000 0.552 1041 L N 5.042 126.177 121.223 -0.147 0.000 2.357 1041 L HA 0.301 4.641 4.340 0.001 0.000 0.211 1041 L C 0.728 177.426 176.870 -0.288 0.000 1.075 1041 L CA 0.385 55.139 54.840 -0.143 0.000 0.830 1041 L CB 0.118 42.124 42.059 -0.088 0.000 0.996 1041 L HN 0.762 nan 8.230 nan 0.000 0.467 1042 A N -1.091 121.497 122.820 -0.386 0.000 2.594 1042 A HA 0.627 4.948 4.320 0.001 0.000 0.296 1042 A C -1.129 176.223 177.584 -0.387 0.000 1.061 1042 A CA -0.310 51.461 52.037 -0.442 0.000 0.689 1042 A CB 1.793 20.665 19.000 -0.215 0.000 1.280 1042 A HN -0.132 nan 8.150 nan 0.000 0.406 1043 S N 0.259 115.741 115.700 -0.362 0.000 2.541 1043 S HA 0.769 5.239 4.470 0.001 0.000 0.280 1043 S C 0.105 174.688 174.600 -0.029 0.000 1.112 1043 S CA 0.219 58.344 58.200 -0.125 0.000 0.925 1043 S CB 1.431 64.652 63.200 0.035 0.000 1.067 1043 S HN 1.957 nan 8.310 nan 0.000 0.479 1044 G N 2.039 110.837 108.800 -0.003 0.000 2.488 1044 G HA2 0.651 4.612 3.960 0.001 0.000 0.318 1044 G HA3 0.651 4.612 3.960 0.001 0.000 0.318 1044 G C -1.201 173.735 174.900 0.059 0.000 1.188 1044 G CA -0.604 44.490 45.100 -0.010 0.000 0.944 1044 G HN 0.617 nan 8.290 nan 0.000 0.495 1045 I N 0.223 120.783 120.570 -0.016 0.000 2.330 1045 I HA 0.299 4.470 4.170 0.001 0.000 0.289 1045 I C 0.207 176.252 176.117 -0.121 0.000 1.001 1045 I CA -0.461 60.813 61.300 -0.045 0.000 1.193 1045 I CB 1.390 39.217 38.000 -0.289 0.000 1.345 1045 I HN 0.442 nan 8.210 nan 0.000 0.461 1046 C N 4.491 123.735 119.300 -0.094 0.000 2.365 1046 C HA 0.632 5.093 4.460 0.001 0.000 0.349 1046 C C 1.975 176.945 174.990 -0.034 0.000 1.191 1046 C CA -0.094 58.881 59.018 -0.073 0.000 2.114 1046 C CB 0.793 28.468 27.740 -0.108 0.000 2.367 1046 C HN 1.010 nan 8.230 nan 0.000 0.530 1047 G N 2.410 111.207 108.800 -0.004 0.000 2.450 1047 G HA2 -0.162 3.799 3.960 0.001 0.000 0.220 1047 G HA3 -0.162 3.799 3.960 0.001 0.000 0.220 1047 G C 1.588 176.525 174.900 0.061 0.000 1.130 1047 G CA 1.328 46.439 45.100 0.018 0.000 0.760 1047 G HN 0.779 nan 8.290 nan 0.000 0.557 1048 S N 0.588 116.340 115.700 0.086 0.000 2.402 1048 S HA -0.075 4.396 4.470 0.001 0.000 0.229 1048 S C 1.964 176.623 174.600 0.100 0.000 1.021 1048 S CA 1.139 59.379 58.200 0.067 0.000 0.974 1048 S CB -0.183 63.014 63.200 -0.005 0.000 0.800 1048 S HN 0.406 nan 8.310 nan 0.000 0.484 1049 D N 0.960 121.476 120.400 0.193 0.000 2.117 1049 D HA -0.068 4.573 4.640 0.001 0.000 0.197 1049 D C 2.123 178.651 176.300 0.380 0.000 0.987 1049 D CA 0.996 55.161 54.000 0.275 0.000 0.829 1049 D CB -0.383 40.652 40.800 0.391 0.000 0.961 1049 D HN 0.355 nan 8.370 nan 0.000 0.460 1050 S N 0.091 115.975 115.700 0.306 0.000 2.368 1050 S HA -0.121 4.350 4.470 0.001 0.000 0.225 1050 S C 2.146 176.889 174.600 0.240 0.000 1.030 1050 S CA 1.327 59.756 58.200 0.382 0.000 0.999 1050 S CB -0.053 63.270 63.200 0.207 0.000 0.844 1050 S HN 0.042 nan 8.310 nan 0.000 0.459 1051 S N 0.621 116.414 115.700 0.155 0.000 2.382 1051 S HA -0.057 4.414 4.470 0.001 0.000 0.228 1051 S C 1.841 176.503 174.600 0.102 0.000 1.027 1051 S CA 1.273 59.539 58.200 0.111 0.000 0.991 1051 S CB -0.402 62.844 63.200 0.076 0.000 0.823 1051 S HN 0.431 nan 8.310 nan 0.000 0.469 1052 V N 1.950 121.927 119.914 0.106 0.000 2.295 1052 V HA -0.136 3.985 4.120 0.001 0.000 0.246 1052 V C 2.172 178.371 176.094 0.174 0.000 1.049 1052 V CA 1.426 63.784 62.300 0.097 0.000 1.024 1052 V CB -0.625 31.214 31.823 0.028 0.000 0.648 1052 V HN 0.429 nan 8.190 nan 0.000 0.447 1053 L N -0.397 120.934 121.223 0.179 0.000 2.127 1053 L HA -0.183 4.158 4.340 0.001 0.000 0.211 1053 L C 2.222 179.034 176.870 -0.095 0.000 1.089 1053 L CA 1.590 56.502 54.840 0.121 0.000 0.757 1053 L CB -0.367 41.757 42.059 0.109 0.000 0.899 1053 L HN 0.328 nan 8.230 nan 0.000 0.434 1054 K N -0.175 120.214 120.400 -0.019 0.000 2.417 1054 K HA 0.051 4.372 4.320 0.001 0.000 0.196 1054 K C -0.044 176.547 176.600 -0.016 0.000 1.023 1054 K CA -0.012 56.250 56.287 -0.041 0.000 1.122 1054 K CB 0.342 32.921 32.500 0.131 0.000 0.850 1054 K HN 0.207 nan 8.250 nan 0.000 0.521 1055 E N -0.313 119.866 120.200 -0.034 0.000 2.971 1055 E HA -0.253 4.098 4.350 0.001 0.000 0.278 1055 E C 0.664 177.312 176.600 0.080 0.000 1.009 1055 E CA 0.384 56.812 56.400 0.047 0.000 0.862 1055 E CB -1.799 27.934 29.700 0.055 0.000 1.436 1055 E HN 0.420 nan 8.360 nan 0.000 0.434 1056 I N 0.119 120.736 120.570 0.078 0.000 2.406 1056 I HA -0.022 4.149 4.170 0.001 0.000 0.249 1056 I C 1.240 177.390 176.117 0.055 0.000 1.122 1056 I CA 0.913 62.255 61.300 0.071 0.000 1.431 1056 I CB 0.184 38.228 38.000 0.074 0.000 1.087 1056 I HN 0.073 nan 8.210 nan 0.000 0.424 1057 I N 1.736 122.336 120.570 0.050 0.000 2.362 1057 I HA 0.284 4.455 4.170 0.001 0.000 0.289 1057 I C -2.370 173.767 176.117 0.033 0.000 0.994 1057 I CA -2.055 59.261 61.300 0.027 0.000 1.158 1057 I CB 1.502 39.502 38.000 -0.000 0.000 1.315 1057 I HN -0.264 nan 8.210 nan 0.000 0.451 1058 P HA 0.120 nan 4.420 nan 0.000 0.269 1058 P C -0.630 176.664 177.300 -0.011 0.000 1.209 1058 P CA 0.014 63.134 63.100 0.034 0.000 0.776 1058 P CB 0.801 32.514 31.700 0.022 0.000 0.876 1059 S N 0.823 116.520 115.700 -0.004 0.000 2.586 1059 S HA 0.308 4.779 4.470 0.001 0.000 0.277 1059 S C -1.399 173.099 174.600 -0.169 0.000 1.131 1059 S CA -0.948 57.156 58.200 -0.161 0.000 0.848 1059 S CB 0.716 63.719 63.200 -0.327 0.000 1.091 1059 S HN 0.222 nan 8.310 nan 0.000 0.453 1060 K N 1.294 121.492 120.400 -0.336 0.000 2.126 1060 K HA 0.590 4.910 4.320 0.001 0.000 0.257 1060 K C -1.211 175.188 176.600 -0.335 0.000 1.007 1060 K CA -0.159 55.925 56.287 -0.337 0.000 0.928 1060 K CB 0.474 32.408 32.500 -0.943 0.000 1.013 1060 K HN 0.418 nan 8.250 nan 0.000 0.473 1061 F N 1.177 121.135 119.950 0.013 0.000 2.588 1061 F HA 0.340 4.868 4.527 0.001 0.000 0.314 1061 F C -1.924 174.057 175.800 0.301 0.000 1.069 1061 F CA -2.303 55.783 58.000 0.143 0.000 0.931 1061 F CB 1.356 40.410 39.000 0.091 0.000 1.260 1061 F HN 0.398 nan 8.300 nan 0.000 0.465 1062 P HA 0.335 nan 4.420 nan 0.000 0.274 1062 P C -1.245 176.073 177.300 0.029 0.000 1.231 1062 P CA -0.196 63.009 63.100 0.175 0.000 0.790 1062 P CB 2.289 33.932 31.700 -0.095 0.000 0.951 1063 V N 3.074 122.892 119.914 -0.161 0.000 3.087 1063 V HA 0.455 4.576 4.120 0.001 0.000 0.306 1063 V C -0.961 174.996 176.094 -0.228 0.000 1.187 1063 V CA -1.098 61.088 62.300 -0.189 0.000 0.999 1063 V CB 2.220 33.836 31.823 -0.345 0.000 1.049 1063 V HN 0.362 nan 8.190 nan 0.000 0.431 1064 I N 6.429 126.876 120.570 -0.206 0.000 2.312 1064 I HA 0.373 4.544 4.170 0.001 0.000 0.290 1064 I C 0.112 176.126 176.117 -0.171 0.000 1.008 1064 I CA -0.232 60.936 61.300 -0.220 0.000 1.226 1064 I CB 1.335 39.082 38.000 -0.423 0.000 1.371 1064 I HN 0.490 nan 8.210 nan 0.000 0.468 1065 L N 5.099 126.233 121.223 -0.149 0.000 2.642 1065 L HA 0.753 5.094 4.340 0.001 0.000 0.229 1065 L C 0.624 176.897 176.870 -0.994 0.000 1.179 1065 L CA -0.593 54.040 54.840 -0.346 0.000 0.834 1065 L CB 0.440 42.446 42.059 -0.088 0.000 1.515 1065 L HN 0.776 nan 8.230 nan 0.000 0.512 1066 G N 0.158 108.232 108.800 -1.210 0.000 3.209 1066 G HA2 -0.051 3.910 3.960 0.001 0.000 0.686 1066 G HA3 -0.051 3.910 3.960 0.001 0.000 0.686 1066 G C -0.540 174.169 174.900 -0.318 0.000 1.065 1066 G CA -0.137 44.195 45.100 -1.281 0.000 0.812 1066 G HN 1.091 nan 8.290 nan 0.000 0.573 1067 H N 0.216 119.110 119.070 -0.294 0.000 3.234 1067 H HA 0.388 4.945 4.556 0.001 0.000 0.253 1067 H C -0.123 175.187 175.328 -0.031 0.000 1.171 1067 H CA 0.258 56.217 56.048 -0.148 0.000 0.990 1067 H CB 0.466 30.082 29.762 -0.243 0.000 2.344 1067 H HN 0.603 nan 8.280 nan 0.000 0.713 1068 E N 1.361 121.404 120.200 -0.261 0.000 2.331 1068 E HA 0.651 5.001 4.350 0.001 0.000 0.243 1068 E C -1.269 175.298 176.600 -0.055 0.000 0.925 1068 E CA -0.528 55.789 56.400 -0.139 0.000 0.760 1068 E CB 1.005 30.569 29.700 -0.227 0.000 1.254 1068 E HN 0.530 nan 8.360 nan 0.000 0.419 1069 A N 2.415 125.226 122.820 -0.016 0.000 2.581 1069 A HA 0.709 5.030 4.320 0.001 0.000 0.290 1069 A C -1.753 175.815 177.584 -0.026 0.000 1.119 1069 A CA -0.604 51.410 52.037 -0.038 0.000 0.670 1069 A CB 1.971 20.945 19.000 -0.043 0.000 1.280 1069 A HN 0.351 nan 8.150 nan 0.000 0.425 1070 V N -0.269 119.611 119.914 -0.056 0.000 2.789 1070 V HA 0.914 5.035 4.120 0.001 0.000 0.311 1070 V C 0.120 176.181 176.094 -0.056 0.000 1.073 1070 V CA 0.740 63.016 62.300 -0.040 0.000 0.921 1070 V CB 1.780 33.581 31.823 -0.036 0.000 1.009 1070 V HN 2.137 nan 8.190 nan 0.000 0.426 1071 G N 3.117 111.897 108.800 -0.034 0.000 2.706 1071 G HA2 0.642 4.603 3.960 0.001 0.000 0.307 1071 G HA3 0.642 4.603 3.960 0.001 0.000 0.307 1071 G C -1.767 173.121 174.900 -0.020 0.000 1.307 1071 G CA 0.038 45.115 45.100 -0.039 0.000 0.790 1071 G HN 1.341 nan 8.290 nan 0.000 0.503 1072 V N -0.078 119.826 119.914 -0.017 0.000 2.656 1072 V HA 0.625 4.746 4.120 0.001 0.000 0.307 1072 V C -0.322 175.786 176.094 0.023 0.000 1.051 1072 V CA -0.711 61.590 62.300 0.002 0.000 0.893 1072 V CB 1.765 33.590 31.823 0.004 0.000 0.999 1072 V HN 0.729 nan 8.190 nan 0.000 0.426 1073 V N 6.325 126.257 119.914 0.030 0.000 2.540 1073 V HA 0.141 4.262 4.120 0.001 0.000 0.297 1073 V C 1.346 177.479 176.094 0.065 0.000 1.024 1073 V CA 0.632 62.959 62.300 0.045 0.000 1.105 1073 V CB 1.058 32.901 31.823 0.033 0.000 0.938 1073 V HN 1.057 nan 8.190 nan 0.000 0.482 1074 E N 3.427 123.687 120.200 0.100 0.000 2.166 1074 E HA 0.027 4.378 4.350 0.001 0.000 0.192 1074 E C 0.627 177.272 176.600 0.076 0.000 0.967 1074 E CA 1.039 57.515 56.400 0.126 0.000 0.840 1074 E CB 0.820 30.668 29.700 0.247 0.000 0.795 1074 E HN 0.848 nan 8.360 nan 0.000 0.470 1075 S N -0.190 115.546 115.700 0.060 0.000 2.578 1075 S HA 0.540 5.011 4.470 0.001 0.000 0.272 1075 S C -0.490 174.122 174.600 0.019 0.000 1.145 1075 S CA -0.909 57.309 58.200 0.030 0.000 0.835 1075 S CB 0.882 64.092 63.200 0.017 0.000 1.104 1075 S HN 0.247 nan 8.310 nan 0.000 0.458 1076 I N -0.632 119.940 120.570 0.003 0.000 2.740 1076 I HA 0.934 5.105 4.170 0.001 0.000 0.303 1076 I C 0.436 176.536 176.117 -0.028 0.000 1.044 1076 I CA -1.063 60.233 61.300 -0.008 0.000 1.064 1076 I CB 1.584 39.580 38.000 -0.007 0.000 1.249 1076 I HN 0.868 nan 8.210 nan 0.000 0.433 1077 G N 2.374 111.149 108.800 -0.042 0.000 2.588 1077 G HA2 0.581 4.542 3.960 0.001 0.000 0.281 1077 G HA3 0.581 4.542 3.960 0.001 0.000 0.281 1077 G C -0.166 174.667 174.900 -0.112 0.000 1.236 1077 G CA -0.501 44.557 45.100 -0.070 0.000 0.969 1077 G HN 1.052 nan 8.290 nan 0.000 0.504 1078 A N -1.494 121.241 122.820 -0.141 0.000 2.511 1078 A HA 0.508 4.829 4.320 0.001 0.000 0.242 1078 A C 1.620 179.006 177.584 -0.330 0.000 1.069 1078 A CA 1.233 53.165 52.037 -0.175 0.000 0.763 1078 A CB -0.385 18.528 19.000 -0.145 0.000 1.001 1078 A HN 2.552 nan 8.150 nan 0.000 0.498 1079 G N 0.872 109.526 108.800 -0.245 0.000 2.205 1079 G HA2 -0.200 3.761 3.960 0.001 0.000 0.261 1079 G HA3 -0.200 3.761 3.960 0.001 0.000 0.261 1079 G C 0.307 175.132 174.900 -0.127 0.000 0.980 1079 G CA 0.197 45.140 45.100 -0.263 0.000 0.632 1079 G HN 1.439 nan 8.290 nan 0.000 0.533 1080 V N 1.878 121.728 119.914 -0.107 0.000 2.521 1080 V HA 0.479 4.599 4.120 0.001 0.000 0.286 1080 V C 1.548 177.651 176.094 0.015 0.000 1.034 1080 V CA 1.395 63.697 62.300 0.003 0.000 1.045 1080 V CB 1.219 33.037 31.823 -0.007 0.000 0.974 1080 V HN 0.788 nan 8.190 nan 0.000 0.480 1081 T N -1.152 113.426 114.554 0.039 0.000 2.969 1081 T HA -0.049 4.302 4.350 0.001 0.000 0.258 1081 T C 1.558 176.272 174.700 0.023 0.000 0.962 1081 T CA 0.628 62.744 62.100 0.026 0.000 0.903 1081 T CB -0.289 68.597 68.868 0.030 0.000 1.177 1081 T HN 0.785 nan 8.240 nan 0.000 0.511 1082 C N 2.396 121.713 119.300 0.028 0.000 2.446 1082 C HA 0.566 5.026 4.460 0.001 0.000 0.279 1082 C C 0.887 175.887 174.990 0.017 0.000 1.366 1082 C CA -0.040 58.991 59.018 0.021 0.000 1.763 1082 C CB -1.474 26.279 27.740 0.022 0.000 1.929 1082 C HN 0.600 nan 8.230 nan 0.000 0.509 1083 V N -1.507 118.417 119.914 0.017 0.000 3.159 1083 V HA 0.756 4.877 4.120 0.001 0.000 0.308 1083 V C -0.983 175.118 176.094 0.012 0.000 1.190 1083 V CA -0.822 61.486 62.300 0.014 0.000 1.037 1083 V CB 1.824 33.656 31.823 0.015 0.000 1.060 1083 V HN 0.621 nan 8.190 nan 0.000 0.437 1084 K N 0.533 120.940 120.400 0.012 0.000 2.480 1084 K HA 0.779 5.100 4.320 0.001 0.000 0.258 1084 K C -3.267 173.342 176.600 0.014 0.000 0.990 1084 K CA -2.131 54.162 56.287 0.011 0.000 0.857 1084 K CB 2.038 34.543 32.500 0.008 0.000 1.384 1084 K HN 0.431 nan 8.250 nan 0.000 0.446 1085 P HA -0.015 nan 4.420 nan 0.000 0.264 1085 P C 0.494 177.807 177.300 0.021 0.000 1.183 1085 P CA 1.636 64.749 63.100 0.023 0.000 0.763 1085 P CB 0.561 32.274 31.700 0.022 0.000 0.807 1086 G N 2.031 110.846 108.800 0.024 0.000 2.254 1086 G HA2 -0.186 3.774 3.960 0.001 0.000 0.225 1086 G HA3 -0.186 3.774 3.960 0.001 0.000 0.225 1086 G C -0.027 174.880 174.900 0.013 0.000 1.003 1086 G CA -0.338 44.773 45.100 0.019 0.000 0.622 1086 G HN 0.506 nan 8.290 nan 0.000 0.507 1087 D N 1.310 121.717 120.400 0.012 0.000 2.443 1087 D HA 0.398 5.039 4.640 0.001 0.000 0.239 1087 D C 0.598 176.902 176.300 0.007 0.000 1.136 1087 D CA 0.360 54.365 54.000 0.008 0.000 0.879 1087 D CB 1.166 41.971 40.800 0.009 0.000 1.195 1087 D HN 0.523 nan 8.370 nan 0.000 0.443 1088 K N 1.242 121.643 120.400 0.001 0.000 2.205 1088 K HA 0.451 4.771 4.320 0.001 0.000 0.279 1088 K C -0.580 176.021 176.600 0.001 0.000 1.027 1088 K CA -0.611 55.675 56.287 -0.002 0.000 0.932 1088 K CB 0.725 33.220 32.500 -0.009 0.000 1.032 1088 K HN 0.300 nan 8.250 nan 0.000 0.466 1089 V N 0.895 120.810 119.914 0.001 0.000 3.206 1089 V HA 0.609 4.730 4.120 0.001 0.000 0.305 1089 V C -0.933 175.165 176.094 0.006 0.000 1.257 1089 V CA -1.091 61.212 62.300 0.006 0.000 1.057 1089 V CB 1.674 33.503 31.823 0.010 0.000 1.075 1089 V HN 0.730 nan 8.190 nan 0.000 0.443 1090 I N 2.030 122.607 120.570 0.013 0.000 2.439 1090 I HA 0.506 4.677 4.170 0.001 0.000 0.285 1090 I C -2.666 173.461 176.117 0.016 0.000 1.021 1090 I CA -2.053 59.259 61.300 0.020 0.000 1.091 1090 I CB 2.676 40.698 38.000 0.038 0.000 1.242 1090 I HN 0.503 nan 8.210 nan 0.000 0.439 1091 P HA 0.186 nan 4.420 nan 0.000 0.268 1091 P C -1.012 176.280 177.300 -0.013 0.000 1.205 1091 P CA -0.051 63.058 63.100 0.015 0.000 0.771 1091 P CB 0.531 32.255 31.700 0.040 0.000 0.858 1092 L N 4.001 125.183 121.223 -0.068 0.000 2.298 1092 L HA 0.364 4.705 4.340 0.001 0.000 0.284 1092 L C 1.213 177.969 176.870 -0.191 0.000 1.013 1092 L CA -0.599 54.105 54.840 -0.225 0.000 0.824 1092 L CB 0.669 42.582 42.059 -0.243 0.000 1.221 1092 L HN 0.451 nan 8.230 nan 0.000 0.418 1093 F N 2.225 122.037 119.950 -0.229 0.000 2.661 1093 F HA 0.177 4.704 4.527 0.001 0.000 0.298 1093 F C 0.428 176.131 175.800 -0.162 0.000 1.137 1093 F CA -0.192 57.718 58.000 -0.150 0.000 1.454 1093 F CB -0.119 38.828 39.000 -0.089 0.000 1.103 1093 F HN 0.061 nan 8.300 nan 0.000 0.577 1094 V N 4.543 124.011 119.914 -0.744 0.000 2.304 1094 V HA 0.326 4.447 4.120 0.001 0.000 0.278 1094 V C -1.875 174.016 176.094 -0.338 0.000 1.018 1094 V CA -2.035 59.976 62.300 -0.481 0.000 0.814 1094 V CB 0.889 32.392 31.823 -0.533 0.000 1.021 1094 V HN -0.010 nan 8.190 nan 0.000 0.440 1095 P HA 0.193 nan 4.420 nan 0.000 0.277 1095 P C -0.918 176.312 177.300 -0.116 0.000 1.276 1095 P CA -0.481 62.530 63.100 -0.149 0.000 0.788 1095 P CB 1.156 32.786 31.700 -0.116 0.000 1.114 1096 Q N -0.305 119.447 119.800 -0.079 0.000 2.786 1096 Q HA 0.261 4.602 4.340 0.001 0.000 0.240 1096 Q C 0.681 176.653 176.000 -0.047 0.000 0.928 1096 Q CA -0.527 55.246 55.803 -0.050 0.000 0.721 1096 Q CB 0.066 28.792 28.738 -0.020 0.000 1.318 1096 Q HN 0.592 nan 8.270 nan 0.000 0.474 1097 C N 0.938 120.204 119.300 -0.058 0.000 2.446 1097 C HA 0.393 4.854 4.460 0.001 0.000 0.279 1097 C C 1.677 176.641 174.990 -0.044 0.000 1.366 1097 C CA 0.836 59.819 59.018 -0.057 0.000 1.763 1097 C CB -1.005 26.694 27.740 -0.067 0.000 1.929 1097 C HN 1.077 nan 8.230 nan 0.000 0.509 1098 G N 0.270 109.051 108.800 -0.033 0.000 2.184 1098 G HA2 -0.267 3.694 3.960 0.001 0.000 0.264 1098 G HA3 -0.267 3.694 3.960 0.001 0.000 0.264 1098 G C 0.922 175.809 174.900 -0.021 0.000 0.975 1098 G CA 0.758 45.846 45.100 -0.021 0.000 0.642 1098 G HN 0.743 nan 8.290 nan 0.000 0.536 1099 S N -1.093 114.590 115.700 -0.029 0.000 2.589 1099 S HA 0.220 4.691 4.470 0.001 0.000 0.235 1099 S C 1.544 176.130 174.600 -0.024 0.000 1.051 1099 S CA 0.496 58.680 58.200 -0.026 0.000 0.978 1099 S CB 0.246 63.427 63.200 -0.033 0.000 0.929 1099 S HN 1.407 nan 8.310 nan 0.000 0.523 1100 C N 1.881 121.164 119.300 -0.028 0.000 2.470 1100 C HA 0.560 5.021 4.460 0.001 0.000 0.350 1100 C C 2.062 177.046 174.990 -0.011 0.000 1.341 1100 C CA -0.659 58.345 59.018 -0.024 0.000 2.440 1100 C CB 0.315 28.032 27.740 -0.039 0.000 2.295 1100 C HN 0.577 nan 8.230 nan 0.000 0.645 1101 R N 0.805 121.302 120.500 -0.003 0.000 2.096 1101 R HA -0.121 4.219 4.340 0.001 0.000 0.240 1101 R C 2.176 178.486 176.300 0.017 0.000 1.139 1101 R CA 2.215 58.320 56.100 0.008 0.000 0.952 1101 R CB -0.793 29.515 30.300 0.015 0.000 0.854 1101 R HN 0.928 nan 8.270 nan 0.000 0.436 1102 A N 0.152 122.985 122.820 0.022 0.000 1.902 1102 A HA -0.166 4.155 4.320 0.001 0.000 0.217 1102 A C 2.442 180.042 177.584 0.027 0.000 1.181 1102 A CA 1.554 53.616 52.037 0.041 0.000 0.623 1102 A CB -0.829 18.208 19.000 0.061 0.000 0.818 1102 A HN 0.607 nan 8.150 nan 0.000 0.443 1103 C N -0.702 118.603 119.300 0.007 0.000 2.446 1103 C HA 0.019 4.480 4.460 0.001 0.000 0.279 1103 C C 2.526 177.521 174.990 0.008 0.000 1.366 1103 C CA 1.046 60.067 59.018 0.005 0.000 1.763 1103 C CB -0.974 26.760 27.740 -0.011 0.000 1.929 1103 C HN 0.575 nan 8.230 nan 0.000 0.509 1104 K N 0.588 120.992 120.400 0.006 0.000 2.366 1104 K HA 0.028 4.349 4.320 0.001 0.000 0.198 1104 K C 0.448 177.054 176.600 0.010 0.000 1.044 1104 K CA 0.498 56.788 56.287 0.006 0.000 0.973 1104 K CB 0.079 32.581 32.500 0.003 0.000 0.767 1104 K HN 0.344 nan 8.250 nan 0.000 0.475 1105 S N 0.551 116.260 115.700 0.015 0.000 2.462 1105 S HA 0.061 4.531 4.470 0.001 0.000 0.294 1105 S C 0.873 175.484 174.600 0.017 0.000 1.144 1105 S CA -0.720 57.489 58.200 0.015 0.000 1.088 1105 S CB 1.758 64.969 63.200 0.018 0.000 1.009 1105 S HN 0.236 nan 8.310 nan 0.000 0.484 1106 S N 1.871 117.578 115.700 0.012 0.000 2.515 1106 S HA -0.112 4.359 4.470 0.001 0.000 0.231 1106 S C 1.162 175.764 174.600 0.004 0.000 0.987 1106 S CA 0.584 58.790 58.200 0.010 0.000 0.936 1106 S CB -0.425 62.779 63.200 0.006 0.000 0.766 1106 S HN 0.787 nan 8.310 nan 0.000 0.528 1107 N N 1.121 119.824 118.700 0.005 0.000 2.314 1107 N HA 0.177 4.917 4.740 0.001 0.000 0.200 1107 N C -0.178 175.337 175.510 0.008 0.000 1.135 1107 N CA 0.014 53.063 53.050 -0.002 0.000 0.835 1107 N CB 0.254 38.739 38.487 -0.003 0.000 0.989 1107 N HN 0.324 nan 8.380 nan 0.000 0.478 1108 S N 0.124 115.839 115.700 0.026 0.000 2.556 1108 S HA 0.402 4.873 4.470 0.001 0.000 0.271 1108 S C -0.723 173.922 174.600 0.075 0.000 1.135 1108 S CA -0.718 57.515 58.200 0.054 0.000 0.858 1108 S CB 0.860 64.103 63.200 0.072 0.000 1.114 1108 S HN 0.362 nan 8.310 nan 0.000 0.468 1109 N N 1.880 120.650 118.700 0.117 0.000 2.143 1109 N HA 0.109 4.850 4.740 0.001 0.000 0.222 1109 N C -0.451 175.166 175.510 0.177 0.000 1.264 1109 N CA -0.204 52.925 53.050 0.132 0.000 0.897 1109 N CB -0.158 38.422 38.487 0.155 0.000 1.092 1109 N HN 0.416 nan 8.380 nan 0.000 0.516 1110 F N 3.000 122.960 119.950 0.017 0.000 2.678 1110 F HA 0.259 4.787 4.527 0.001 0.000 0.358 1110 F C 0.556 176.356 175.800 -0.001 0.000 1.256 1110 F CA -1.494 56.512 58.000 0.010 0.000 1.278 1110 F CB -0.763 38.247 39.000 0.017 0.000 1.681 1110 F HN 0.099 nan 8.300 nan 0.000 0.661 1111 C N 4.600 123.793 119.300 -0.179 0.000 2.538 1111 C HA -0.040 4.421 4.460 0.001 0.000 0.408 1111 C C 1.801 176.576 174.990 -0.359 0.000 1.421 1111 C CA -0.119 58.775 59.018 -0.205 0.000 1.642 1111 C CB -0.475 27.171 27.740 -0.158 0.000 2.553 1111 C HN 0.867 nan 8.230 nan 0.000 0.604 1112 E N 2.560 122.621 120.200 -0.233 0.000 2.472 1112 E HA -0.104 4.247 4.350 0.001 0.000 0.200 1112 E C 1.305 177.785 176.600 -0.200 0.000 1.046 1112 E CA 0.610 56.876 56.400 -0.224 0.000 0.871 1112 E CB 0.104 29.740 29.700 -0.107 0.000 0.806 1112 E HN 0.600 nan 8.360 nan 0.000 0.533 1113 K N 1.632 121.920 120.400 -0.187 0.000 2.444 1113 K HA 0.027 4.348 4.320 0.001 0.000 0.193 1113 K C 0.594 177.098 176.600 -0.160 0.000 1.024 1113 K CA -0.039 56.163 56.287 -0.142 0.000 1.077 1113 K CB -0.284 32.150 32.500 -0.111 0.000 0.833 1113 K HN 0.300 nan 8.250 nan 0.000 0.517 1114 N N 0.962 119.513 118.700 -0.249 0.000 2.415 1114 N HA -0.086 4.655 4.740 0.001 0.000 0.248 1114 N C -0.211 175.216 175.510 -0.138 0.000 1.271 1114 N CA 0.311 53.227 53.050 -0.223 0.000 0.913 1114 N CB 1.044 39.300 38.487 -0.386 0.000 1.129 1114 N HN -0.193 nan 8.380 nan 0.000 0.444 1115 D N 0.643 121.003 120.400 -0.067 0.000 2.424 1115 D HA 0.203 4.844 4.640 0.001 0.000 0.220 1115 D C 1.223 177.520 176.300 -0.006 0.000 1.150 1115 D CA -0.088 53.891 54.000 -0.036 0.000 0.831 1115 D CB 0.034 40.818 40.800 -0.028 0.000 0.981 1115 D HN 0.519 nan 8.370 nan 0.000 0.500 1116 M N -1.064 118.555 119.600 0.031 0.000 2.319 1116 M HA 0.120 4.600 4.480 0.001 0.000 0.265 1116 M C 1.912 178.266 176.300 0.090 0.000 1.068 1116 M CA 1.241 56.595 55.300 0.090 0.000 1.118 1116 M CB 0.298 33.031 32.600 0.222 0.000 1.395 1116 M HN 0.154 nan 8.290 nan 0.000 0.435 1117 G N -0.485 108.366 108.800 0.085 0.000 2.486 1117 G HA2 0.123 4.083 3.960 0.001 0.000 0.210 1117 G HA3 0.123 4.083 3.960 0.001 0.000 0.210 1117 G C 1.570 176.488 174.900 0.029 0.000 1.168 1117 G CA 0.594 45.739 45.100 0.076 0.000 0.820 1117 G HN 0.460 nan 8.290 nan 0.000 0.544 1118 A N 0.027 122.851 122.820 0.007 0.000 1.930 1118 A HA 0.218 4.539 4.320 0.001 0.000 0.215 1118 A C 1.471 179.041 177.584 -0.024 0.000 1.176 1118 A CA 1.338 53.370 52.037 -0.008 0.000 0.632 1118 A CB -0.166 18.825 19.000 -0.015 0.000 0.819 1118 A HN 0.141 nan 8.150 nan 0.000 0.445 1119 K N -0.047 120.334 120.400 -0.031 0.000 3.148 1119 K HA -0.166 4.155 4.320 0.001 0.000 0.267 1119 K C 0.978 177.527 176.600 -0.085 0.000 0.996 1119 K CA 1.102 57.353 56.287 -0.060 0.000 0.737 1119 K CB -2.637 29.823 32.500 -0.067 0.000 1.308 1119 K HN 0.895 nan 8.250 nan 0.000 0.470 1120 T N -3.396 111.126 114.554 -0.053 0.000 2.867 1120 T HA 0.009 4.360 4.350 0.001 0.000 0.268 1120 T C 1.538 176.218 174.700 -0.032 0.000 1.057 1120 T CA 1.384 63.461 62.100 -0.039 0.000 1.136 1120 T CB -0.037 68.834 68.868 0.004 0.000 0.874 1120 T HN 0.869 nan 8.240 nan 0.000 0.466 1121 G N 1.186 109.976 108.800 -0.016 0.000 2.179 1121 G HA2 -0.194 3.766 3.960 0.001 0.000 0.257 1121 G HA3 -0.194 3.766 3.960 0.001 0.000 0.257 1121 G C -0.133 174.898 174.900 0.218 0.000 1.010 1121 G CA 0.669 45.809 45.100 0.068 0.000 0.736 1121 G HN 0.700 nan 8.290 nan 0.000 0.513 1122 L N -1.164 120.132 121.223 0.121 0.000 2.341 1122 L HA 0.696 5.037 4.340 0.001 0.000 0.254 1122 L C 0.749 177.633 176.870 0.022 0.000 1.040 1122 L CA -1.716 53.178 54.840 0.090 0.000 0.837 1122 L CB 1.257 43.379 42.059 0.105 0.000 1.425 1122 L HN -0.054 nan 8.230 nan 0.000 0.414 1123 M N 0.272 119.867 119.600 -0.010 0.000 2.103 1123 M HA 0.194 4.674 4.480 0.001 0.000 0.291 1123 M C 1.343 177.634 176.300 -0.014 0.000 1.216 1123 M CA 0.199 55.482 55.300 -0.028 0.000 1.132 1123 M CB 0.063 32.631 32.600 -0.053 0.000 1.396 1123 M HN 0.836 nan 8.290 nan 0.000 0.479 1124 A N 0.873 123.684 122.820 -0.016 0.000 1.917 1124 A HA -0.185 4.136 4.320 0.001 0.000 0.219 1124 A C 1.200 178.780 177.584 -0.006 0.000 1.182 1124 A CA 2.178 54.208 52.037 -0.012 0.000 0.633 1124 A CB -0.999 17.994 19.000 -0.012 0.000 0.819 1124 A HN 0.873 nan 8.150 nan 0.000 0.448 1125 D N -1.827 118.570 120.400 -0.006 0.000 2.323 1125 D HA 0.043 4.684 4.640 0.001 0.000 0.239 1125 D C 0.544 176.844 176.300 0.001 0.000 1.129 1125 D CA 0.174 54.172 54.000 -0.002 0.000 0.865 1125 D CB -0.322 40.475 40.800 -0.004 0.000 0.913 1125 D HN 0.223 nan 8.370 nan 0.000 0.517 1126 M N 0.036 119.640 119.600 0.006 0.000 2.576 1126 M HA -0.165 4.316 4.480 0.001 0.000 0.200 1126 M C -0.304 176.008 176.300 0.019 0.000 0.487 1126 M CA 0.968 56.280 55.300 0.020 0.000 0.553 1126 M CB -3.046 29.568 32.600 0.024 0.000 2.042 1126 M HN 0.467 nan 8.290 nan 0.000 0.758 1127 T N -3.832 110.721 114.554 -0.001 0.000 2.907 1127 T HA 0.763 5.114 4.350 0.001 0.000 0.290 1127 T C -0.033 174.641 174.700 -0.042 0.000 1.066 1127 T CA -0.219 61.870 62.100 -0.018 0.000 1.012 1127 T CB 2.950 71.802 68.868 -0.027 0.000 1.184 1127 T HN 0.240 nan 8.240 nan 0.000 0.522 1128 S N -0.795 114.864 115.700 -0.068 0.000 2.537 1128 S HA 0.484 4.955 4.470 0.001 0.000 0.301 1128 S C 0.601 175.114 174.600 -0.146 0.000 1.092 1128 S CA -0.941 57.194 58.200 -0.108 0.000 1.048 1128 S CB 1.054 64.193 63.200 -0.102 0.000 1.053 1128 S HN 0.660 nan 8.310 nan 0.000 0.501 1129 R N 2.119 122.445 120.500 -0.290 0.000 2.334 1129 R HA 0.234 4.575 4.340 0.001 0.000 0.216 1129 R C -0.655 175.498 176.300 -0.244 0.000 0.905 1129 R CA 0.227 56.142 56.100 -0.309 0.000 1.064 1129 R CB -0.283 29.757 30.300 -0.433 0.000 1.046 1129 R HN 0.585 nan 8.270 nan 0.000 0.508 1130 F N 0.530 120.455 119.950 -0.042 0.000 2.436 1130 F HA 0.337 4.865 4.527 0.001 0.000 0.340 1130 F C 0.424 176.190 175.800 -0.057 0.000 1.113 1130 F CA -0.697 57.276 58.000 -0.046 0.000 1.022 1130 F CB 2.032 40.993 39.000 -0.064 0.000 1.128 1130 F HN -0.320 nan 8.300 nan 0.000 0.466 1131 T N 2.234 116.894 114.554 0.176 0.000 2.921 1131 T HA 0.438 4.789 4.350 0.001 0.000 0.297 1131 T C -1.612 173.142 174.700 0.091 0.000 1.013 1131 T CA -0.620 61.536 62.100 0.094 0.000 0.990 1131 T CB 1.586 70.494 68.868 0.067 0.000 1.023 1131 T HN 0.742 nan 8.240 nan 0.000 0.447 1132 C N 3.867 123.235 119.300 0.113 0.000 2.701 1132 C HA 0.604 5.064 4.460 0.001 0.000 0.336 1132 C C 0.407 175.570 174.990 0.289 0.000 1.123 1132 C CA -0.543 58.582 59.018 0.178 0.000 1.326 1132 C CB 0.247 28.076 27.740 0.148 0.000 1.833 1132 C HN 1.103 nan 8.230 nan 0.000 0.473 1133 R N 3.630 124.255 120.500 0.209 0.000 3.416 1133 R HA -0.195 4.146 4.340 0.001 0.000 0.263 1133 R C 1.187 177.551 176.300 0.107 0.000 1.053 1133 R CA 1.200 57.380 56.100 0.134 0.000 0.705 1133 R CB -1.743 28.610 30.300 0.088 0.000 1.124 1133 R HN 2.072 nan 8.270 nan 0.000 0.444 1134 G N -0.892 107.965 108.800 0.095 0.000 2.189 1134 G HA2 -0.354 3.606 3.960 0.001 0.000 0.267 1134 G HA3 -0.354 3.606 3.960 0.001 0.000 0.267 1134 G C 0.001 174.948 174.900 0.079 0.000 0.975 1134 G CA 0.920 46.061 45.100 0.068 0.000 0.644 1134 G HN 0.259 nan 8.290 nan 0.000 0.537 1135 K N 0.287 120.762 120.400 0.125 0.000 2.203 1135 K HA 0.541 4.862 4.320 0.001 0.000 0.251 1135 K C -2.868 173.768 176.600 0.060 0.000 0.944 1135 K CA -2.164 54.191 56.287 0.114 0.000 0.829 1135 K CB 2.117 34.746 32.500 0.215 0.000 1.125 1135 K HN -0.046 nan 8.250 nan 0.000 0.430 1136 P HA 0.243 nan 4.420 nan 0.000 0.281 1136 P C -0.473 176.711 177.300 -0.194 0.000 1.252 1136 P CA -0.304 62.741 63.100 -0.091 0.000 0.778 1136 P CB 0.505 32.120 31.700 -0.141 0.000 0.895 1137 I N 3.923 124.415 120.570 -0.129 0.000 2.412 1137 I HA 0.285 4.456 4.170 0.001 0.000 0.296 1137 I C 0.437 176.483 176.117 -0.119 0.000 0.987 1137 I CA -1.109 60.089 61.300 -0.170 0.000 1.180 1137 I CB 0.269 38.183 38.000 -0.143 0.000 1.340 1137 I HN 0.371 nan 8.210 nan 0.000 0.455 1138 Y N 4.669 124.977 120.300 0.014 0.000 2.314 1138 Y HA 0.137 4.687 4.550 0.001 0.000 0.334 1138 Y C 1.042 176.974 175.900 0.054 0.000 1.266 1138 Y CA -0.192 57.918 58.100 0.017 0.000 1.391 1138 Y CB 0.693 39.118 38.460 -0.058 0.000 1.306 1138 Y HN 0.635 nan 8.280 nan 0.000 0.558 1139 N N 0.929 119.777 118.700 0.248 0.000 2.563 1139 N HA 0.492 5.233 4.740 0.001 0.000 0.288 1139 N C -1.986 173.557 175.510 0.055 0.000 1.246 1139 N CA -0.909 52.259 53.050 0.197 0.000 0.946 1139 N CB 1.098 39.716 38.487 0.219 0.000 1.213 1139 N HN 0.529 nan 8.380 nan 0.000 0.578 1140 L N 0.081 121.311 121.223 0.012 0.000 2.343 1140 L HA 0.478 4.819 4.340 0.001 0.000 0.278 1140 L C -0.111 176.732 176.870 -0.045 0.000 0.996 1140 L CA -0.200 54.599 54.840 -0.069 0.000 0.831 1140 L CB 0.342 42.318 42.059 -0.139 0.000 1.232 1140 L HN 0.725 nan 8.230 nan 0.000 0.413 1141 M N 5.129 124.700 119.600 -0.047 0.000 2.253 1141 M HA -0.241 4.240 4.480 0.001 0.000 0.199 1141 M C 1.193 177.513 176.300 0.033 0.000 0.342 1141 M CA 1.131 56.430 55.300 -0.001 0.000 0.417 1141 M CB -2.074 30.532 32.600 0.011 0.000 1.338 1141 M HN 1.079 nan 8.290 nan 0.000 0.920 1142 G N -1.054 107.756 108.800 0.018 0.000 2.166 1142 G HA2 -0.383 3.578 3.960 0.001 0.000 0.260 1142 G HA3 -0.383 3.578 3.960 0.001 0.000 0.260 1142 G C 0.438 175.360 174.900 0.036 0.000 0.986 1142 G CA 1.702 46.812 45.100 0.016 0.000 0.683 1142 G HN 0.847 nan 8.290 nan 0.000 0.527 1143 T N -4.483 110.107 114.554 0.061 0.000 3.257 1143 T HA 0.595 4.946 4.350 0.001 0.000 0.176 1143 T C 0.758 175.528 174.700 0.116 0.000 0.892 1143 T CA 1.010 63.159 62.100 0.082 0.000 1.147 1143 T CB 0.504 69.432 68.868 0.101 0.000 1.840 1143 T HN 1.560 nan 8.240 nan 0.000 0.375 1144 S N 1.155 116.895 115.700 0.067 0.000 3.373 1144 S HA -0.032 4.439 4.470 0.001 0.000 0.728 1144 S C 0.446 175.081 174.600 0.057 0.000 0.612 1144 S CA 0.405 58.627 58.200 0.036 0.000 1.473 1144 S CB -1.422 61.896 63.200 0.197 0.000 0.990 1144 S HN 1.310 nan 8.310 nan 0.000 0.936 1145 T N -1.037 113.490 114.554 -0.045 0.000 3.040 1145 T HA 0.349 4.700 4.350 0.001 0.000 0.266 1145 T C 0.396 175.303 174.700 0.344 0.000 1.005 1145 T CA -0.213 61.949 62.100 0.104 0.000 0.906 1145 T CB -0.150 68.752 68.868 0.057 0.000 1.082 1145 T HN 0.578 nan 8.240 nan 0.000 0.531 1146 F N 2.910 122.931 119.950 0.118 0.000 2.913 1146 F HA 0.402 4.930 4.527 0.001 0.000 0.306 1146 F C 0.932 176.729 175.800 -0.004 0.000 1.205 1146 F CA -0.595 57.476 58.000 0.118 0.000 1.359 1146 F CB 0.030 39.068 39.000 0.063 0.000 1.260 1146 F HN 0.193 nan 8.300 nan 0.000 0.545 1147 T N -1.473 113.210 114.554 0.215 0.000 2.942 1147 T HA 0.132 4.483 4.350 0.001 0.000 0.327 1147 T C 0.610 175.358 174.700 0.080 0.000 1.360 1147 T CA -0.493 61.623 62.100 0.026 0.000 1.055 1147 T CB 1.644 70.484 68.868 -0.047 0.000 1.261 1147 T HN 0.339 nan 8.240 nan 0.000 0.485 1148 E N 1.383 121.554 120.200 -0.049 0.000 2.204 1148 E HA 0.007 4.358 4.350 0.001 0.000 0.195 1148 E C -0.586 175.946 176.600 -0.114 0.000 0.990 1148 E CA 1.151 57.527 56.400 -0.041 0.000 0.821 1148 E CB 0.162 29.860 29.700 -0.004 0.000 0.750 1148 E HN 0.529 nan 8.360 nan 0.000 0.477 1149 Y N -1.438 118.947 120.300 0.142 0.000 2.492 1149 Y HA 0.381 4.931 4.550 0.001 0.000 0.346 1149 Y C -0.025 176.030 175.900 0.259 0.000 0.997 1149 Y CA -0.695 57.506 58.100 0.169 0.000 1.025 1149 Y CB 2.541 41.079 38.460 0.130 0.000 1.263 1149 Y HN -0.323 nan 8.280 nan 0.000 0.454 1150 T N 1.552 116.322 114.554 0.360 0.000 2.864 1150 T HA 0.763 5.113 4.350 0.001 0.000 0.299 1150 T C -1.977 172.811 174.700 0.147 0.000 1.166 1150 T CA -0.543 61.764 62.100 0.345 0.000 1.007 1150 T CB 1.224 70.290 68.868 0.330 0.000 1.219 1150 T HN 0.333 nan 8.240 nan 0.000 0.506 1151 V N 3.491 123.399 119.914 -0.010 0.000 2.540 1151 V HA 0.781 4.902 4.120 0.001 0.000 0.302 1151 V C -0.051 176.011 176.094 -0.053 0.000 1.035 1151 V CA -0.621 61.644 62.300 -0.058 0.000 0.873 1151 V CB 1.308 33.039 31.823 -0.153 0.000 0.992 1151 V HN 0.856 nan 8.190 nan 0.000 0.428 1152 V N 1.770 121.674 119.914 -0.015 0.000 3.102 1152 V HA 1.023 5.144 4.120 0.001 0.000 0.312 1152 V C 0.185 176.274 176.094 -0.008 0.000 1.135 1152 V CA -0.941 61.353 62.300 -0.010 0.000 1.022 1152 V CB 1.838 33.666 31.823 0.010 0.000 1.056 1152 V HN 1.110 nan 8.190 nan 0.000 0.436 1153 A N 1.585 124.399 122.820 -0.009 0.000 2.407 1153 A HA 0.451 4.772 4.320 0.001 0.000 0.248 1153 A C 0.924 178.514 177.584 0.009 0.000 1.082 1153 A CA 0.376 52.414 52.037 0.001 0.000 0.785 1153 A CB 0.069 19.061 19.000 -0.013 0.000 1.020 1153 A HN 1.279 nan 8.150 nan 0.000 0.489 1154 D N 0.767 121.187 120.400 0.033 0.000 2.392 1154 D HA -0.153 4.488 4.640 0.001 0.000 0.228 1154 D C 0.925 177.231 176.300 0.009 0.000 1.003 1154 D CA 1.219 55.239 54.000 0.033 0.000 0.917 1154 D CB -0.536 40.308 40.800 0.073 0.000 0.890 1154 D HN 0.621 nan 8.370 nan 0.000 0.532 1155 I N -4.226 116.337 120.570 -0.011 0.000 3.883 1155 I HA 0.462 4.633 4.170 0.001 0.000 0.326 1155 I C 1.149 177.241 176.117 -0.041 0.000 1.283 1155 I CA -0.291 60.991 61.300 -0.030 0.000 1.161 1155 I CB 0.310 38.281 38.000 -0.049 0.000 1.012 1155 I HN -0.005 nan 8.210 nan 0.000 0.421 1156 A N 1.189 123.989 122.820 -0.035 0.000 2.793 1156 A HA 0.660 4.981 4.320 0.001 0.000 0.301 1156 A C -0.166 177.397 177.584 -0.034 0.000 1.172 1156 A CA -0.287 51.721 52.037 -0.049 0.000 0.973 1156 A CB 0.229 19.203 19.000 -0.043 0.000 1.164 1156 A HN 0.245 nan 8.150 nan 0.000 0.542 1157 V N -0.129 119.772 119.914 -0.022 0.000 2.808 1157 V HA 0.784 4.905 4.120 0.001 0.000 0.308 1157 V C -1.021 175.072 176.094 -0.002 0.000 1.099 1157 V CA -0.156 62.139 62.300 -0.008 0.000 0.920 1157 V CB 1.895 33.721 31.823 0.005 0.000 1.014 1157 V HN 0.781 nan 8.190 nan 0.000 0.425 1158 A N 5.878 128.700 122.820 0.004 0.000 2.291 1158 A HA 0.674 4.995 4.320 0.001 0.000 0.311 1158 A C -0.440 177.152 177.584 0.013 0.000 1.224 1158 A CA -0.680 51.365 52.037 0.014 0.000 0.821 1158 A CB 0.964 19.980 19.000 0.027 0.000 1.172 1158 A HN 0.867 nan 8.150 nan 0.000 0.494 1159 K N 3.269 123.676 120.400 0.012 0.000 2.298 1159 K HA 0.552 4.873 4.320 0.001 0.000 0.280 1159 K C -0.342 176.261 176.600 0.006 0.000 1.032 1159 K CA -0.153 56.139 56.287 0.008 0.000 0.958 1159 K CB 0.298 32.803 32.500 0.008 0.000 0.978 1159 K HN 0.753 nan 8.250 nan 0.000 0.472 1160 I N -0.995 119.576 120.570 0.002 0.000 3.322 1160 I HA 0.366 4.536 4.170 0.001 0.000 0.313 1160 I C -0.401 175.710 176.117 -0.010 0.000 1.129 1160 I CA -1.223 60.075 61.300 -0.003 0.000 0.963 1160 I CB 1.450 39.449 38.000 -0.002 0.000 1.273 1160 I HN 0.498 nan 8.210 nan 0.000 0.473 1161 D N 2.628 123.017 120.400 -0.018 0.000 2.531 1161 D HA 0.048 4.689 4.640 0.001 0.000 0.239 1161 D C -1.729 174.555 176.300 -0.027 0.000 1.144 1161 D CA -0.839 53.145 54.000 -0.027 0.000 0.869 1161 D CB 1.499 42.274 40.800 -0.043 0.000 1.160 1161 D HN 0.321 nan 8.370 nan 0.000 0.484 1162 P HA -0.121 nan 4.420 nan 0.000 0.218 1162 P C 0.469 177.752 177.300 -0.028 0.000 1.146 1162 P CA 1.329 64.417 63.100 -0.021 0.000 0.813 1162 P CB 0.236 31.926 31.700 -0.017 0.000 0.778 1163 K N -1.005 119.371 120.400 -0.040 0.000 2.446 1163 K HA 0.316 4.637 4.320 0.001 0.000 0.203 1163 K C 0.418 176.975 176.600 -0.071 0.000 1.027 1163 K CA -0.407 55.849 56.287 -0.052 0.000 1.166 1163 K CB 0.264 32.730 32.500 -0.057 0.000 0.869 1163 K HN 0.043 nan 8.250 nan 0.000 0.504 1164 A N 3.009 125.792 122.820 -0.061 0.000 2.520 1164 A HA 0.167 4.488 4.320 0.001 0.000 0.245 1164 A C -2.268 175.285 177.584 -0.051 0.000 1.072 1164 A CA -0.926 51.070 52.037 -0.068 0.000 0.761 1164 A CB -0.191 18.793 19.000 -0.026 0.000 1.004 1164 A HN 0.010 nan 8.150 nan 0.000 0.499 1165 P HA 0.091 nan 4.420 nan 0.000 0.269 1165 P C 0.869 178.191 177.300 0.037 0.000 1.215 1165 P CA -0.288 62.802 63.100 -0.016 0.000 0.780 1165 P CB 0.420 32.106 31.700 -0.023 0.000 0.898 1166 L N 1.149 122.379 121.223 0.012 0.000 2.127 1166 L HA -0.210 4.131 4.340 0.001 0.000 0.211 1166 L C 1.762 178.627 176.870 -0.008 0.000 1.089 1166 L CA 1.692 56.524 54.840 -0.013 0.000 0.757 1166 L CB -0.714 41.328 42.059 -0.030 0.000 0.899 1166 L HN 0.417 nan 8.230 nan 0.000 0.434 1167 E N -0.314 119.903 120.200 0.028 0.000 2.463 1167 E HA -0.132 4.219 4.350 0.001 0.000 0.201 1167 E C 2.095 178.642 176.600 -0.088 0.000 1.045 1167 E CA 0.631 57.018 56.400 -0.022 0.000 0.872 1167 E CB -0.133 29.566 29.700 -0.001 0.000 0.797 1167 E HN 0.278 nan 8.360 nan 0.000 0.538 1168 S N 0.027 115.740 115.700 0.021 0.000 2.469 1168 S HA -0.185 4.285 4.470 0.001 0.000 0.238 1168 S C 2.064 176.622 174.600 -0.070 0.000 0.998 1168 S CA 1.025 59.211 58.200 -0.024 0.000 0.957 1168 S CB -0.679 62.572 63.200 0.086 0.000 0.764 1168 S HN 0.713 nan 8.310 nan 0.000 0.514 1169 C N 1.161 120.425 119.300 -0.059 0.000 2.410 1169 C HA 0.034 4.495 4.460 0.001 0.000 0.281 1169 C C 2.159 177.130 174.990 -0.030 0.000 1.318 1169 C CA 0.049 59.039 59.018 -0.046 0.000 1.776 1169 C CB -1.856 25.843 27.740 -0.069 0.000 1.942 1169 C HN 0.498 nan 8.230 nan 0.000 0.508 1170 L N 0.585 121.769 121.223 -0.064 0.000 2.275 1170 L HA -0.021 4.319 4.340 0.001 0.000 0.215 1170 L C 2.691 179.607 176.870 0.076 0.000 1.119 1170 L CA 1.259 56.093 54.840 -0.009 0.000 0.790 1170 L CB -0.557 41.475 42.059 -0.045 0.000 0.919 1170 L HN 0.342 nan 8.230 nan 0.000 0.443 1171 I N 0.126 120.703 120.570 0.012 0.000 2.614 1171 I HA -0.147 4.023 4.170 0.001 0.000 0.258 1171 I C 2.484 178.737 176.117 0.227 0.000 1.189 1171 I CA 0.960 62.306 61.300 0.076 0.000 1.462 1171 I CB -0.593 37.380 38.000 -0.045 0.000 1.092 1171 I HN 0.254 nan 8.210 nan 0.000 0.442 1172 G N -0.596 108.326 108.800 0.203 0.000 2.470 1172 G HA2 -0.224 3.737 3.960 0.001 0.000 0.220 1172 G HA3 -0.224 3.737 3.960 0.001 0.000 0.220 1172 G C 1.279 176.482 174.900 0.506 0.000 1.121 1172 G CA 1.092 46.358 45.100 0.278 0.000 0.766 1172 G HN 0.516 nan 8.290 nan 0.000 0.553 1173 C N -2.899 116.681 119.300 0.466 0.000 3.291 1173 C HA 0.421 4.882 4.460 0.001 0.000 0.230 1173 C C 2.879 178.099 174.990 0.383 0.000 2.506 1173 C CA 1.449 60.819 59.018 0.587 0.000 1.173 1173 C CB -0.579 27.333 27.740 0.288 0.000 1.387 1173 C HN 0.398 nan 8.230 nan 0.000 0.680 1174 G N 0.684 109.611 108.800 0.211 0.000 2.599 1174 G HA2 -0.283 3.677 3.960 0.001 0.000 0.219 1174 G HA3 -0.283 3.677 3.960 0.001 0.000 0.219 1174 G C 1.338 176.344 174.900 0.177 0.000 1.193 1174 G CA 1.751 46.953 45.100 0.169 0.000 0.778 1174 G HN 0.606 nan 8.290 nan 0.000 0.589 1175 F N 2.312 122.290 119.950 0.047 0.000 2.102 1175 F HA 0.105 4.633 4.527 0.001 0.000 0.298 1175 F C 2.911 178.732 175.800 0.035 0.000 1.105 1175 F CA 1.520 59.528 58.000 0.013 0.000 1.239 1175 F CB -0.411 38.525 39.000 -0.106 0.000 0.991 1175 F HN 0.241 nan 8.300 nan 0.000 0.474 1176 A N -0.559 122.295 122.820 0.055 0.000 1.940 1176 A HA -0.204 4.117 4.320 0.001 0.000 0.219 1176 A C 2.176 179.760 177.584 -0.000 0.000 1.176 1176 A CA 2.396 54.337 52.037 -0.161 0.000 0.631 1176 A CB -1.438 17.209 19.000 -0.589 0.000 0.814 1176 A HN 0.463 nan 8.150 nan 0.000 0.446 1177 T N -0.407 114.187 114.554 0.066 0.000 2.643 1177 T HA -0.021 4.329 4.350 0.001 0.000 0.264 1177 T C 2.028 176.760 174.700 0.055 0.000 1.045 1177 T CA 1.583 63.760 62.100 0.127 0.000 1.155 1177 T CB -0.799 68.204 68.868 0.225 0.000 0.863 1177 T HN 0.576 nan 8.240 nan 0.000 0.420 1178 G N -0.219 108.588 108.800 0.011 0.000 2.421 1178 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 1178 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 1178 G C 1.424 176.270 174.900 -0.090 0.000 1.171 1178 G CA 0.800 45.882 45.100 -0.030 0.000 0.775 1178 G HN 0.518 nan 8.290 nan 0.000 0.543 1179 Y N 1.849 121.933 120.300 -0.359 0.000 2.128 1179 Y HA -0.059 4.492 4.550 0.001 0.000 0.284 1179 Y C 2.828 178.657 175.900 -0.119 0.000 1.154 1179 Y CA 1.873 59.760 58.100 -0.356 0.000 1.149 1179 Y CB -0.503 37.530 38.460 -0.711 0.000 0.976 1179 Y HN 0.134 nan 8.280 nan 0.000 0.505 1180 G N -0.453 108.443 108.800 0.159 0.000 2.422 1180 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 1180 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 1180 G C 1.822 176.584 174.900 -0.230 0.000 1.146 1180 G CA 0.847 45.879 45.100 -0.112 0.000 0.769 1180 G HN 0.606 nan 8.290 nan 0.000 0.547 1181 A N 0.996 123.739 122.820 -0.128 0.000 1.986 1181 A HA 0.187 4.508 4.320 0.001 0.000 0.220 1181 A C 2.730 180.217 177.584 -0.161 0.000 1.171 1181 A CA 2.419 54.388 52.037 -0.113 0.000 0.640 1181 A CB -0.585 18.387 19.000 -0.048 0.000 0.811 1181 A HN 0.727 nan 8.150 nan 0.000 0.451 1182 A N -0.958 121.730 122.820 -0.220 0.000 1.861 1182 A HA 0.164 4.484 4.320 0.001 0.000 0.212 1182 A C 2.185 179.564 177.584 -0.342 0.000 1.199 1182 A CA 1.447 53.321 52.037 -0.273 0.000 0.613 1182 A CB -0.778 18.046 19.000 -0.292 0.000 0.846 1182 A HN 0.375 nan 8.150 nan 0.000 0.446 1183 V N 0.853 120.521 119.914 -0.409 0.000 2.379 1183 V HA -0.215 3.906 4.120 0.001 0.000 0.245 1183 V C 2.012 177.921 176.094 -0.308 0.000 1.044 1183 V CA 2.251 64.326 62.300 -0.375 0.000 1.036 1183 V CB -1.079 30.490 31.823 -0.422 0.000 0.664 1183 V HN 0.621 nan 8.190 nan 0.000 0.453 1184 N N -0.592 117.900 118.700 -0.346 0.000 2.333 1184 N HA -0.063 4.678 4.740 0.001 0.000 0.183 1184 N C 1.807 177.186 175.510 -0.218 0.000 1.030 1184 N CA 1.305 54.165 53.050 -0.317 0.000 0.867 1184 N CB -0.080 38.119 38.487 -0.480 0.000 1.027 1184 N HN 0.332 nan 8.380 nan 0.000 0.435 1185 T N 0.688 115.124 114.554 -0.197 0.000 2.735 1185 T HA 0.043 4.394 4.350 0.001 0.000 0.256 1185 T C 2.103 176.749 174.700 -0.089 0.000 1.042 1185 T CA 1.113 63.139 62.100 -0.123 0.000 1.147 1185 T CB -0.350 68.461 68.868 -0.096 0.000 0.865 1185 T HN 0.232 nan 8.240 nan 0.000 0.421 1186 A N 0.888 123.644 122.820 -0.105 0.000 1.968 1186 A HA 0.074 4.395 4.320 0.001 0.000 0.217 1186 A C 1.032 178.530 177.584 -0.143 0.000 1.169 1186 A CA 1.010 53.013 52.037 -0.056 0.000 0.638 1186 A CB -0.383 18.570 19.000 -0.079 0.000 0.812 1186 A HN 0.557 nan 8.150 nan 0.000 0.446 1187 K N -0.974 119.277 120.400 -0.248 0.000 3.181 1187 K HA -0.108 4.213 4.320 0.001 0.000 0.269 1187 K C -0.492 175.820 176.600 -0.480 0.000 1.097 1187 K CA 0.349 56.481 56.287 -0.258 0.000 0.783 1187 K CB -2.234 30.199 32.500 -0.112 0.000 1.267 1187 K HN 0.271 nan 8.250 nan 0.000 0.484 1188 V N 1.647 121.125 119.914 -0.727 0.000 2.681 1188 V HA -0.079 4.041 4.120 0.001 0.000 0.306 1188 V C 1.294 177.096 176.094 -0.487 0.000 1.077 1188 V CA 1.125 62.814 62.300 -1.018 0.000 1.224 1188 V CB 0.768 32.213 31.823 -0.629 0.000 0.879 1188 V HN 0.478 nan 8.190 nan 0.000 0.494 1189 T N 4.124 118.497 114.554 -0.303 0.000 2.925 1189 T HA 0.564 4.915 4.350 0.001 0.000 0.285 1189 T C -2.777 171.910 174.700 -0.021 0.000 1.021 1189 T CA -2.520 59.541 62.100 -0.066 0.000 1.042 1189 T CB 1.797 70.704 68.868 0.064 0.000 1.037 1189 T HN 0.416 nan 8.240 nan 0.000 0.481 1190 P HA 0.274 nan 4.420 nan 0.000 0.264 1190 P C 1.151 178.458 177.300 0.011 0.000 1.193 1190 P CA 1.200 64.294 63.100 -0.009 0.000 0.763 1190 P CB 0.171 31.866 31.700 -0.008 0.000 0.810 1191 G N 1.777 110.583 108.800 0.010 0.000 2.179 1191 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 1191 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 1191 G C 0.447 175.362 174.900 0.026 0.000 0.977 1191 G CA 0.347 45.454 45.100 0.012 0.000 0.641 1191 G HN 0.773 nan 8.290 nan 0.000 0.533 1192 S N -0.146 115.590 115.700 0.061 0.000 2.645 1192 S HA 0.708 5.179 4.470 0.001 0.000 0.266 1192 S C 0.300 174.948 174.600 0.081 0.000 1.258 1192 S CA 0.627 58.892 58.200 0.108 0.000 0.990 1192 S CB 1.624 65.007 63.200 0.305 0.000 0.967 1192 S HN 1.570 nan 8.310 nan 0.000 0.556 1193 T N -1.486 113.114 114.554 0.076 0.000 2.823 1193 T HA 0.685 5.036 4.350 0.001 0.000 0.279 1193 T C -0.289 174.469 174.700 0.097 0.000 0.998 1193 T CA -0.798 61.329 62.100 0.046 0.000 0.994 1193 T CB 0.026 68.892 68.868 -0.002 0.000 0.960 1193 T HN 0.771 nan 8.240 nan 0.000 0.448 1194 C N 1.845 121.187 119.300 0.070 0.000 2.848 1194 C HA 1.002 5.463 4.460 0.001 0.000 0.317 1194 C C 0.124 175.136 174.990 0.035 0.000 1.260 1194 C CA -0.833 58.241 59.018 0.094 0.000 1.656 1194 C CB 1.246 29.030 27.740 0.074 0.000 2.174 1194 C HN 1.260 nan 8.230 nan 0.000 0.479 1195 A N 0.935 123.798 122.820 0.072 0.000 2.381 1195 A HA 0.768 5.089 4.320 0.001 0.000 0.299 1195 A C -1.370 176.255 177.584 0.069 0.000 1.049 1195 A CA -0.263 51.779 52.037 0.007 0.000 0.715 1195 A CB 0.983 20.041 19.000 0.095 0.000 1.222 1195 A HN 0.740 nan 8.150 nan 0.000 0.428 1196 V N 2.802 122.661 119.914 -0.092 0.000 2.409 1196 V HA 0.473 4.594 4.120 0.001 0.000 0.291 1196 V C -1.193 174.853 176.094 -0.080 0.000 1.020 1196 V CA -0.267 62.040 62.300 0.012 0.000 0.848 1196 V CB 0.883 32.676 31.823 -0.050 0.000 0.990 1196 V HN 0.691 nan 8.190 nan 0.000 0.430 1197 F N 2.707 122.661 119.950 0.007 0.000 2.385 1197 F HA 0.737 5.265 4.527 0.001 0.000 0.360 1197 F C 0.861 176.692 175.800 0.052 0.000 1.122 1197 F CA -0.487 57.532 58.000 0.031 0.000 1.090 1197 F CB 1.549 40.572 39.000 0.038 0.000 1.150 1197 F HN 0.739 nan 8.300 nan 0.000 0.472 1198 G N 4.172 113.087 108.800 0.192 0.000 3.055 1198 G HA2 -0.142 3.819 3.960 0.001 0.000 0.654 1198 G HA3 -0.142 3.819 3.960 0.001 0.000 0.654 1198 G C -0.795 174.197 174.900 0.154 0.000 1.134 1198 G CA -1.100 44.109 45.100 0.182 0.000 1.049 1198 G HN 0.683 nan 8.290 nan 0.000 0.458 1199 L N 2.725 124.056 121.223 0.180 0.000 2.648 1199 L HA 0.471 4.812 4.340 0.001 0.000 0.238 1199 L C 1.481 178.605 176.870 0.424 0.000 1.316 1199 L CA 0.244 55.214 54.840 0.216 0.000 1.241 1199 L CB -0.289 41.882 42.059 0.187 0.000 1.499 1199 L HN 0.654 nan 8.230 nan 0.000 0.411 1200 G N -0.580 108.412 108.800 0.321 0.000 2.736 1200 G HA2 0.410 4.371 3.960 0.001 0.000 0.229 1200 G HA3 0.410 4.371 3.960 0.001 0.000 0.229 1200 G C 0.957 176.025 174.900 0.281 0.000 1.380 1200 G CA 0.172 45.421 45.100 0.247 0.000 1.040 1200 G HN 0.303 nan 8.290 nan 0.000 0.568 1201 G N -0.956 107.929 108.800 0.140 0.000 2.446 1201 G HA2 -0.150 3.811 3.960 0.001 0.000 0.217 1201 G HA3 -0.150 3.811 3.960 0.001 0.000 0.217 1201 G C 1.640 176.649 174.900 0.182 0.000 1.168 1201 G CA 1.586 46.762 45.100 0.127 0.000 0.771 1201 G HN 0.414 nan 8.290 nan 0.000 0.551 1202 V N 1.477 121.482 119.914 0.152 0.000 2.358 1202 V HA -0.029 4.092 4.120 0.001 0.000 0.246 1202 V C 3.148 179.323 176.094 0.134 0.000 1.047 1202 V CA 1.931 64.309 62.300 0.130 0.000 1.035 1202 V CB -1.020 30.870 31.823 0.113 0.000 0.658 1202 V HN 0.446 nan 8.190 nan 0.000 0.452 1203 G N -0.666 108.233 108.800 0.164 0.000 2.446 1203 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 1203 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 1203 G C 1.504 176.457 174.900 0.088 0.000 1.168 1203 G CA 0.905 46.076 45.100 0.117 0.000 0.771 1203 G HN 0.434 nan 8.290 nan 0.000 0.551 1204 F N 1.744 121.737 119.950 0.072 0.000 2.171 1204 F HA -0.066 4.462 4.527 0.001 0.000 0.300 1204 F C 3.112 178.963 175.800 0.085 0.000 1.090 1204 F CA 1.559 59.612 58.000 0.088 0.000 1.293 1204 F CB -0.174 38.891 39.000 0.109 0.000 1.013 1204 F HN 0.090 nan 8.300 nan 0.000 0.486 1205 S N -0.293 115.544 115.700 0.228 0.000 2.383 1205 S HA -0.143 4.328 4.470 0.001 0.000 0.227 1205 S C 2.322 176.899 174.600 -0.039 0.000 1.026 1205 S CA 0.899 59.118 58.200 0.031 0.000 0.981 1205 S CB -0.610 62.515 63.200 -0.126 0.000 0.818 1205 S HN 0.374 nan 8.310 nan 0.000 0.472 1206 A N 1.398 124.210 122.820 -0.013 0.000 1.969 1206 A HA 0.027 4.348 4.320 0.001 0.000 0.218 1206 A C 2.023 179.574 177.584 -0.054 0.000 1.169 1206 A CA 0.897 52.903 52.037 -0.051 0.000 0.635 1206 A CB -0.597 18.391 19.000 -0.021 0.000 0.810 1206 A HN 0.474 nan 8.150 nan 0.000 0.445 1207 I N -0.430 120.119 120.570 -0.034 0.000 2.179 1207 I HA -0.210 3.961 4.170 0.001 0.000 0.242 1207 I C 2.332 178.456 176.117 0.012 0.000 1.088 1207 I CA 1.174 62.446 61.300 -0.046 0.000 1.357 1207 I CB -0.376 37.560 38.000 -0.106 0.000 1.051 1207 I HN 0.146 nan 8.210 nan 0.000 0.409 1208 V N 1.159 121.130 119.914 0.094 0.000 2.332 1208 V HA -0.251 3.870 4.120 0.001 0.000 0.248 1208 V C 2.564 178.744 176.094 0.143 0.000 1.055 1208 V CA 2.219 64.633 62.300 0.189 0.000 1.038 1208 V CB -1.481 30.550 31.823 0.347 0.000 0.651 1208 V HN 0.596 nan 8.190 nan 0.000 0.450 1209 G N -1.265 107.529 108.800 -0.009 0.000 2.404 1209 G HA2 -0.252 3.709 3.960 0.001 0.000 0.215 1209 G HA3 -0.252 3.709 3.960 0.001 0.000 0.215 1209 G C 1.750 176.485 174.900 -0.274 0.000 1.174 1209 G CA 1.238 46.112 45.100 -0.376 0.000 0.780 1209 G HN 0.530 nan 8.290 nan 0.000 0.537 1210 C N 0.148 119.346 119.300 -0.170 0.000 2.413 1210 C HA 0.010 4.470 4.460 0.001 0.000 0.276 1210 C C 2.740 177.674 174.990 -0.092 0.000 1.248 1210 C CA 1.256 60.190 59.018 -0.142 0.000 1.742 1210 C CB -0.648 27.037 27.740 -0.093 0.000 2.017 1210 C HN 0.575 nan 8.230 nan 0.000 0.481 1211 K N 1.067 121.443 120.400 -0.041 0.000 2.057 1211 K HA -0.102 4.219 4.320 0.001 0.000 0.206 1211 K C 2.114 178.716 176.600 0.004 0.000 1.050 1211 K CA 1.499 57.785 56.287 -0.002 0.000 0.935 1211 K CB -0.290 32.233 32.500 0.040 0.000 0.715 1211 K HN 0.400 nan 8.250 nan 0.000 0.439 1212 A N 0.855 123.683 122.820 0.014 0.000 1.972 1212 A HA -0.066 4.255 4.320 0.001 0.000 0.219 1212 A C 2.201 179.765 177.584 -0.033 0.000 1.169 1212 A CA 1.710 53.770 52.037 0.039 0.000 0.635 1212 A CB -0.621 18.456 19.000 0.130 0.000 0.810 1212 A HN 0.466 nan 8.150 nan 0.000 0.446 1213 A N -1.798 120.956 122.820 -0.109 0.000 2.167 1213 A HA 0.383 4.704 4.320 0.001 0.000 0.214 1213 A C 1.758 179.293 177.584 -0.083 0.000 1.151 1213 A CA 1.325 53.284 52.037 -0.130 0.000 0.735 1213 A CB -0.827 18.044 19.000 -0.215 0.000 0.802 1213 A HN 1.922 nan 8.150 nan 0.000 0.467 1214 G N -1.981 106.788 108.800 -0.052 0.000 2.140 1214 G HA2 0.172 4.133 3.960 0.001 0.000 0.211 1214 G HA3 0.172 4.133 3.960 0.001 0.000 0.211 1214 G C 0.280 175.165 174.900 -0.025 0.000 1.013 1214 G CA 0.169 45.252 45.100 -0.028 0.000 0.705 1214 G HN 1.503 nan 8.290 nan 0.000 0.508 1215 A N 0.250 123.050 122.820 -0.033 0.000 2.462 1215 A HA 0.704 5.024 4.320 0.001 0.000 0.243 1215 A C 1.653 179.233 177.584 -0.006 0.000 1.076 1215 A CA 1.120 53.148 52.037 -0.015 0.000 0.773 1215 A CB 0.441 19.428 19.000 -0.021 0.000 1.010 1215 A HN 1.691 nan 8.150 nan 0.000 0.493 1216 S N 1.966 117.666 115.700 0.001 0.000 2.458 1216 S HA 0.131 4.602 4.470 0.001 0.000 0.223 1216 S C 0.750 175.344 174.600 -0.010 0.000 1.019 1216 S CA 0.262 58.460 58.200 -0.004 0.000 0.937 1216 S CB 0.063 63.260 63.200 -0.004 0.000 0.788 1216 S HN 0.697 nan 8.310 nan 0.000 0.511 1217 R N 0.221 120.714 120.500 -0.011 0.000 2.538 1217 R HA 0.629 4.970 4.340 0.001 0.000 0.292 1217 R C -1.651 174.633 176.300 -0.026 0.000 1.008 1217 R CA -0.365 55.721 56.100 -0.023 0.000 0.896 1217 R CB 1.870 32.154 30.300 -0.026 0.000 1.187 1217 R HN 0.252 nan 8.270 nan 0.000 0.440 1218 I N 4.987 125.529 120.570 -0.047 0.000 2.476 1218 I HA 0.353 4.524 4.170 0.001 0.000 0.281 1218 I C -0.405 175.648 176.117 -0.107 0.000 1.040 1218 I CA -0.518 60.744 61.300 -0.063 0.000 1.094 1218 I CB 1.693 39.657 38.000 -0.060 0.000 1.219 1218 I HN 0.443 nan 8.210 nan 0.000 0.450 1219 I N 5.470 125.963 120.570 -0.127 0.000 2.297 1219 I HA 0.338 4.509 4.170 0.001 0.000 0.291 1219 I C 0.936 176.889 176.117 -0.274 0.000 1.033 1219 I CA -0.304 60.877 61.300 -0.197 0.000 1.253 1219 I CB 1.198 39.084 38.000 -0.190 0.000 1.396 1219 I HN 0.586 nan 8.210 nan 0.000 0.476 1220 G N 5.948 114.557 108.800 -0.318 0.000 2.353 1220 G HA2 0.497 4.458 3.960 0.001 0.000 0.284 1220 G HA3 0.497 4.458 3.960 0.001 0.000 0.284 1220 G C -0.551 174.098 174.900 -0.418 0.000 1.172 1220 G CA -0.214 44.675 45.100 -0.351 0.000 0.854 1220 G HN 0.379 nan 8.290 nan 0.000 0.485 1221 V N 2.093 121.768 119.914 -0.399 0.000 2.407 1221 V HA 0.872 4.993 4.120 0.001 0.000 0.291 1221 V C 0.565 176.611 176.094 -0.081 0.000 1.018 1221 V CA -0.039 62.044 62.300 -0.362 0.000 0.842 1221 V CB 1.097 32.447 31.823 -0.788 0.000 0.996 1221 V HN 1.138 nan 8.190 nan 0.000 0.426 1222 G N 1.975 110.854 108.800 0.131 0.000 2.660 1222 G HA2 0.515 4.476 3.960 0.001 0.000 0.290 1222 G HA3 0.515 4.476 3.960 0.001 0.000 0.290 1222 G C 0.241 175.304 174.900 0.272 0.000 1.432 1222 G CA 0.273 45.526 45.100 0.255 0.000 0.807 1222 G HN 0.618 nan 8.290 nan 0.000 0.485 1223 T N -2.550 112.106 114.554 0.170 0.000 3.107 1223 T HA 0.211 4.562 4.350 0.001 0.000 0.249 1223 T C 0.144 174.641 174.700 -0.338 0.000 1.096 1223 T CA 0.458 62.528 62.100 -0.050 0.000 1.012 1223 T CB -0.249 68.539 68.868 -0.132 0.000 0.977 1223 T HN 0.416 nan 8.240 nan 0.000 0.527 1224 H N 1.639 120.690 119.070 -0.032 0.000 2.736 1224 H HA 0.366 4.923 4.556 0.001 0.000 0.271 1224 H C 1.233 176.246 175.328 -0.525 0.000 1.184 1224 H CA -0.910 55.039 56.048 -0.165 0.000 1.378 1224 H CB 1.249 30.976 29.762 -0.058 0.000 1.428 1224 H HN 0.235 nan 8.280 nan 0.000 0.500 1225 K N 1.059 121.027 120.400 -0.720 0.000 2.218 1225 K HA -0.187 4.134 4.320 0.001 0.000 0.205 1225 K C 0.271 176.414 176.600 -0.762 0.000 1.046 1225 K CA 1.510 56.972 56.287 -1.374 0.000 0.933 1225 K CB 0.214 32.334 32.500 -0.634 0.000 0.728 1225 K HN 0.381 nan 8.250 nan 0.000 0.454 1226 D N 1.620 121.829 120.400 -0.320 0.000 2.309 1226 D HA -0.095 4.546 4.640 0.001 0.000 0.212 1226 D C 1.288 177.563 176.300 -0.041 0.000 0.968 1226 D CA 1.059 54.984 54.000 -0.124 0.000 0.882 1226 D CB 0.108 40.879 40.800 -0.047 0.000 0.918 1226 D HN 0.442 nan 8.370 nan 0.000 0.503 1227 K N -0.435 119.947 120.400 -0.030 0.000 2.356 1227 K HA 0.097 4.418 4.320 0.001 0.000 0.195 1227 K C 1.981 178.815 176.600 0.391 0.000 1.037 1227 K CA -0.116 56.303 56.287 0.219 0.000 1.014 1227 K CB 0.144 32.849 32.500 0.341 0.000 0.815 1227 K HN 0.190 nan 8.250 nan 0.000 0.507 1228 F N 1.602 121.622 119.950 0.117 0.000 2.091 1228 F HA -0.179 4.349 4.527 0.001 0.000 0.299 1228 F C -0.617 175.224 175.800 0.069 0.000 1.103 1228 F CA 0.559 58.597 58.000 0.063 0.000 1.228 1228 F CB -1.328 37.694 39.000 0.037 0.000 0.984 1228 F HN 0.027 nan 8.300 nan 0.000 0.477 1229 P HA -0.200 nan 4.420 nan 0.000 0.215 1229 P C 1.422 178.824 177.300 0.170 0.000 1.157 1229 P CA 1.555 64.755 63.100 0.167 0.000 0.874 1229 P CB -0.074 31.695 31.700 0.114 0.000 0.790 1230 K N -0.673 119.862 120.400 0.225 0.000 2.097 1230 K HA -0.037 4.284 4.320 0.001 0.000 0.206 1230 K C 2.058 178.895 176.600 0.394 0.000 1.049 1230 K CA 1.478 57.938 56.287 0.287 0.000 0.933 1230 K CB -0.959 31.728 32.500 0.311 0.000 0.717 1230 K HN 0.043 nan 8.250 nan 0.000 0.442 1231 A N 1.859 124.875 122.820 0.326 0.000 1.883 1231 A HA -0.170 4.151 4.320 0.001 0.000 0.217 1231 A C 2.110 179.703 177.584 0.016 0.000 1.186 1231 A CA 1.333 53.358 52.037 -0.020 0.000 0.624 1231 A CB -0.446 18.453 19.000 -0.168 0.000 0.822 1231 A HN 0.121 nan 8.150 nan 0.000 0.444 1232 I N 0.143 120.744 120.570 0.052 0.000 2.226 1232 I HA -0.230 3.941 4.170 0.001 0.000 0.245 1232 I C 2.310 178.468 176.117 0.067 0.000 1.100 1232 I CA 1.641 62.961 61.300 0.034 0.000 1.374 1232 I CB -1.769 36.256 38.000 0.041 0.000 1.057 1232 I HN 0.477 nan 8.210 nan 0.000 0.413 1233 E N 0.645 120.906 120.200 0.102 0.000 2.130 1233 E HA -0.193 4.157 4.350 0.001 0.000 0.196 1233 E C 2.076 178.767 176.600 0.152 0.000 0.998 1233 E CA 1.026 57.491 56.400 0.108 0.000 0.806 1233 E CB -0.132 29.625 29.700 0.094 0.000 0.738 1233 E HN 0.454 nan 8.360 nan 0.000 0.459 1234 L N -1.094 120.243 121.223 0.189 0.000 2.591 1234 L HA 0.155 4.496 4.340 0.001 0.000 0.228 1234 L C 1.412 178.371 176.870 0.149 0.000 1.133 1234 L CA 0.399 55.377 54.840 0.230 0.000 0.880 1234 L CB 0.505 42.766 42.059 0.338 0.000 1.033 1234 L HN 0.330 nan 8.230 nan 0.000 0.450 1235 G N -0.927 107.924 108.800 0.086 0.000 2.813 1235 G HA2 -0.128 3.833 3.960 0.001 0.000 0.194 1235 G HA3 -0.128 3.833 3.960 0.001 0.000 0.194 1235 G C 0.377 175.275 174.900 -0.002 0.000 1.010 1235 G CA -0.198 44.930 45.100 0.047 0.000 0.771 1235 G HN 0.289 nan 8.290 nan 0.000 0.485 1236 A N 1.187 123.986 122.820 -0.036 0.000 2.477 1236 A HA 0.560 4.881 4.320 0.001 0.000 0.246 1236 A C 1.645 179.193 177.584 -0.060 0.000 1.078 1236 A CA 1.589 53.577 52.037 -0.081 0.000 0.770 1236 A CB 0.300 19.214 19.000 -0.142 0.000 1.011 1236 A HN 1.256 nan 8.150 nan 0.000 0.494 1237 T N -0.782 113.732 114.554 -0.068 0.000 3.054 1237 T HA 0.243 4.593 4.350 0.001 0.000 0.259 1237 T C 0.345 175.003 174.700 -0.070 0.000 1.092 1237 T CA 0.857 62.926 62.100 -0.052 0.000 1.121 1237 T CB -0.433 68.408 68.868 -0.044 0.000 0.912 1237 T HN 0.947 nan 8.240 nan 0.000 0.489 1238 E N -1.213 118.918 120.200 -0.115 0.000 2.403 1238 E HA 0.521 4.872 4.350 0.001 0.000 0.280 1238 E C -1.977 174.461 176.600 -0.271 0.000 1.101 1238 E CA -1.272 55.036 56.400 -0.152 0.000 0.856 1238 E CB 0.746 30.376 29.700 -0.117 0.000 1.303 1238 E HN 0.114 nan 8.360 nan 0.000 0.441 1239 C N 1.247 120.307 119.300 -0.399 0.000 2.712 1239 C HA 0.711 5.172 4.460 0.001 0.000 0.308 1239 C C -0.743 173.863 174.990 -0.641 0.000 1.201 1239 C CA -0.563 58.003 59.018 -0.753 0.000 1.554 1239 C CB 0.748 27.548 27.740 -1.567 0.000 2.117 1239 C HN 0.556 nan 8.230 nan 0.000 0.480 1240 L N 2.369 123.279 121.223 -0.521 0.000 2.381 1240 L HA 0.539 4.880 4.340 0.001 0.000 0.268 1240 L C -0.341 176.545 176.870 0.027 0.000 0.997 1240 L CA -0.323 54.420 54.840 -0.162 0.000 0.818 1240 L CB 1.617 43.578 42.059 -0.163 0.000 1.310 1240 L HN 0.740 nan 8.230 nan 0.000 0.416 1241 N N 2.726 121.594 118.700 0.280 0.000 2.476 1241 N HA 0.302 5.043 4.740 0.001 0.000 0.257 1241 N C -2.079 173.597 175.510 0.276 0.000 0.970 1241 N CA -1.668 51.573 53.050 0.318 0.000 0.938 1241 N CB 2.089 40.776 38.487 0.333 0.000 1.144 1241 N HN 0.265 nan 8.380 nan 0.000 0.500 1242 P HA -0.228 nan 4.420 nan 0.000 0.218 1242 P C 0.371 177.785 177.300 0.191 0.000 1.152 1242 P CA 1.558 64.765 63.100 0.178 0.000 0.857 1242 P CB 0.219 31.992 31.700 0.122 0.000 0.787 1243 K N -1.004 119.470 120.400 0.124 0.000 2.442 1243 K HA -0.091 4.230 4.320 0.001 0.000 0.198 1243 K C 0.870 177.488 176.600 0.030 0.000 1.042 1243 K CA 0.874 57.199 56.287 0.064 0.000 0.958 1243 K CB -0.365 32.147 32.500 0.020 0.000 0.766 1243 K HN 0.237 nan 8.250 nan 0.000 0.474 1244 D N -0.428 119.991 120.400 0.031 0.000 2.340 1244 D HA 0.009 4.650 4.640 0.001 0.000 0.220 1244 D C -0.443 175.556 176.300 -0.501 0.000 1.039 1244 D CA 0.621 54.488 54.000 -0.221 0.000 0.866 1244 D CB 0.233 40.849 40.800 -0.307 0.000 0.913 1244 D HN 0.110 nan 8.370 nan 0.000 0.523 1245 Y N -0.325 119.971 120.300 -0.007 0.000 2.512 1245 Y HA 0.177 4.728 4.550 0.001 0.000 0.348 1245 Y C 1.034 176.920 175.900 -0.024 0.000 0.990 1245 Y CA -1.121 56.968 58.100 -0.018 0.000 1.033 1245 Y CB 1.663 40.106 38.460 -0.029 0.000 1.259 1245 Y HN -0.359 nan 8.280 nan 0.000 0.461 1246 D N 0.689 121.157 120.400 0.114 0.000 2.289 1246 D HA -0.026 4.614 4.640 0.001 0.000 0.207 1246 D C 0.111 176.433 176.300 0.037 0.000 0.966 1246 D CA 0.701 54.732 54.000 0.053 0.000 0.868 1246 D CB 0.408 41.226 40.800 0.029 0.000 0.943 1246 D HN 0.647 nan 8.370 nan 0.000 0.514 1247 K N -0.056 120.369 120.400 0.041 0.000 2.168 1247 K HA 0.591 4.912 4.320 0.001 0.000 0.239 1247 K C -2.661 173.870 176.600 -0.114 0.000 0.999 1247 K CA -1.826 54.439 56.287 -0.036 0.000 0.900 1247 K CB 0.488 32.962 32.500 -0.043 0.000 1.111 1247 K HN -0.297 nan 8.250 nan 0.000 0.452 1248 P HA -0.064 nan 4.420 nan 0.000 0.265 1248 P C 0.609 177.614 177.300 -0.490 0.000 1.193 1248 P CA -0.293 62.514 63.100 -0.488 0.000 0.765 1248 P CB 0.292 31.381 31.700 -1.019 0.000 0.823 1249 I N 3.130 123.519 120.570 -0.301 0.000 2.335 1249 I HA -0.250 3.921 4.170 0.001 0.000 0.251 1249 I C 1.657 177.701 176.117 -0.121 0.000 1.129 1249 I CA 1.926 63.124 61.300 -0.171 0.000 1.402 1249 I CB -0.841 37.173 38.000 0.025 0.000 1.069 1249 I HN 0.447 nan 8.210 nan 0.000 0.424 1250 Y N 0.194 120.519 120.300 0.041 0.000 2.373 1250 Y HA -0.019 4.532 4.550 0.001 0.000 0.293 1250 Y C 2.169 178.070 175.900 0.002 0.000 1.129 1250 Y CA 0.612 58.738 58.100 0.043 0.000 1.226 1250 Y CB -1.317 37.162 38.460 0.031 0.000 1.000 1250 Y HN 0.183 nan 8.280 nan 0.000 0.549 1251 E N 0.719 120.818 120.200 -0.168 0.000 2.107 1251 E HA -0.091 4.260 4.350 0.001 0.000 0.191 1251 E C 2.252 178.804 176.600 -0.079 0.000 0.982 1251 E CA 1.235 57.602 56.400 -0.055 0.000 0.809 1251 E CB -0.104 29.513 29.700 -0.139 0.000 0.756 1251 E HN 0.399 nan 8.360 nan 0.000 0.459 1252 V N 1.634 121.441 119.914 -0.178 0.000 2.343 1252 V HA -0.251 3.870 4.120 0.001 0.000 0.247 1252 V C 2.237 178.229 176.094 -0.170 0.000 1.051 1252 V CA 1.471 63.624 62.300 -0.245 0.000 1.036 1252 V CB -0.365 31.118 31.823 -0.566 0.000 0.654 1252 V HN 0.255 nan 8.190 nan 0.000 0.451 1253 I N -0.743 119.758 120.570 -0.115 0.000 2.252 1253 I HA -0.246 3.925 4.170 0.001 0.000 0.245 1253 I C 2.588 178.701 176.117 -0.006 0.000 1.102 1253 I CA 1.379 62.647 61.300 -0.054 0.000 1.385 1253 I CB -0.525 37.487 38.000 0.020 0.000 1.064 1253 I HN 0.343 nan 8.210 nan 0.000 0.414 1254 C N 0.458 119.780 119.300 0.036 0.000 2.429 1254 C HA -0.172 4.289 4.460 0.001 0.000 0.277 1254 C C 2.770 177.773 174.990 0.022 0.000 1.262 1254 C CA 0.952 60.001 59.018 0.053 0.000 1.733 1254 C CB -0.973 26.822 27.740 0.090 0.000 2.010 1254 C HN 0.508 nan 8.230 nan 0.000 0.483 1255 E N 0.610 120.812 120.200 0.003 0.000 2.153 1255 E HA -0.203 4.148 4.350 0.001 0.000 0.194 1255 E C 1.862 178.452 176.600 -0.015 0.000 0.988 1255 E CA 1.106 57.503 56.400 -0.005 0.000 0.811 1255 E CB 0.047 29.737 29.700 -0.017 0.000 0.746 1255 E HN 0.608 nan 8.360 nan 0.000 0.466 1256 K N -0.761 119.621 120.400 -0.031 0.000 2.379 1256 K HA 0.016 4.337 4.320 0.001 0.000 0.194 1256 K C 1.062 177.642 176.600 -0.033 0.000 1.031 1256 K CA 1.140 57.406 56.287 -0.034 0.000 1.037 1256 K CB 0.639 33.106 32.500 -0.054 0.000 0.824 1256 K HN 0.095 nan 8.250 nan 0.000 0.516 1257 T N -2.289 112.248 114.554 -0.029 0.000 3.296 1257 T HA 0.134 4.485 4.350 0.001 0.000 0.285 1257 T C 0.023 174.691 174.700 -0.053 0.000 1.014 1257 T CA -0.607 61.470 62.100 -0.038 0.000 0.920 1257 T CB -0.534 68.316 68.868 -0.030 0.000 1.143 1257 T HN 0.281 nan 8.240 nan 0.000 0.522 1258 N N 0.705 119.379 118.700 -0.042 0.000 2.740 1258 N HA -0.232 4.509 4.740 0.001 0.000 0.248 1258 N C 0.945 176.426 175.510 -0.048 0.000 1.062 1258 N CA 0.566 53.583 53.050 -0.055 0.000 0.704 1258 N CB -1.328 37.100 38.487 -0.099 0.000 0.968 1258 N HN 1.061 nan 8.380 nan 0.000 0.547 1259 G N -1.641 107.176 108.800 0.028 0.000 2.184 1259 G HA2 0.191 4.151 3.960 0.001 0.000 0.206 1259 G HA3 0.191 4.151 3.960 0.001 0.000 0.206 1259 G C 0.470 175.485 174.900 0.192 0.000 0.995 1259 G CA 0.359 45.544 45.100 0.141 0.000 0.651 1259 G HN 1.513 nan 8.290 nan 0.000 0.511 1260 G N -1.986 106.870 108.800 0.092 0.000 2.362 1260 G HA2 0.503 4.463 3.960 0.001 0.000 0.656 1260 G HA3 0.503 4.463 3.960 0.001 0.000 0.656 1260 G C 0.028 174.958 174.900 0.050 0.000 1.376 1260 G CA 0.247 45.406 45.100 0.099 0.000 0.971 1260 G HN 1.883 nan 8.290 nan 0.000 0.636 1261 V N -1.297 118.646 119.914 0.049 0.000 3.133 1261 V HA 0.580 4.700 4.120 0.001 0.000 0.305 1261 V C 1.013 177.091 176.094 -0.027 0.000 1.084 1261 V CA 0.709 63.019 62.300 0.017 0.000 1.089 1261 V CB 1.445 33.300 31.823 0.053 0.000 1.073 1261 V HN 0.704 nan 8.190 nan 0.000 0.477 1262 D N -0.120 120.219 120.400 -0.101 0.000 2.183 1262 D HA 0.078 4.719 4.640 0.001 0.000 0.205 1262 D C -0.264 175.647 176.300 -0.647 0.000 0.962 1262 D CA 1.803 55.581 54.000 -0.370 0.000 0.849 1262 D CB 0.117 40.658 40.800 -0.431 0.000 0.978 1262 D HN 0.715 nan 8.370 nan 0.000 0.488 1263 Y N -0.443 119.869 120.300 0.020 0.000 2.421 1263 Y HA 0.557 5.108 4.550 0.001 0.000 0.339 1263 Y C -0.338 175.586 175.900 0.039 0.000 0.996 1263 Y CA -1.186 56.922 58.100 0.013 0.000 1.046 1263 Y CB 2.190 40.643 38.460 -0.011 0.000 1.226 1263 Y HN -0.216 nan 8.280 nan 0.000 0.445 1264 A N 2.260 125.188 122.820 0.181 0.000 2.371 1264 A HA 0.872 5.193 4.320 0.001 0.000 0.311 1264 A C -1.663 176.004 177.584 0.139 0.000 1.068 1264 A CA -0.773 51.377 52.037 0.188 0.000 0.744 1264 A CB 1.150 20.238 19.000 0.148 0.000 1.239 1264 A HN 0.499 nan 8.150 nan 0.000 0.435 1265 V N 2.481 122.504 119.914 0.181 0.000 2.444 1265 V HA 0.402 4.522 4.120 0.001 0.000 0.294 1265 V C -0.207 175.984 176.094 0.163 0.000 1.022 1265 V CA -0.658 61.713 62.300 0.118 0.000 0.850 1265 V CB 1.601 33.471 31.823 0.077 0.000 0.992 1265 V HN 0.917 nan 8.190 nan 0.000 0.426 1266 E N 3.078 123.322 120.200 0.073 0.000 2.174 1266 E HA 0.315 4.666 4.350 0.001 0.000 0.282 1266 E C -0.658 175.996 176.600 0.090 0.000 0.992 1266 E CA -0.215 56.227 56.400 0.070 0.000 0.803 1266 E CB 1.519 31.198 29.700 -0.035 0.000 1.090 1266 E HN 0.822 nan 8.360 nan 0.000 0.396 1267 C N 3.703 123.080 119.300 0.129 0.000 3.101 1267 C HA 0.494 4.955 4.460 0.001 0.000 0.253 1267 C C 1.066 176.128 174.990 0.119 0.000 1.754 1267 C CA 0.128 59.214 59.018 0.114 0.000 1.756 1267 C CB -0.561 27.250 27.740 0.119 0.000 3.227 1267 C HN 0.692 nan 8.230 nan 0.000 0.483 1268 A N 0.163 123.052 122.820 0.115 0.000 2.127 1268 A HA 0.578 4.898 4.320 0.001 0.000 0.204 1268 A C 1.615 179.253 177.584 0.089 0.000 1.243 1268 A CA 1.018 53.123 52.037 0.114 0.000 0.887 1268 A CB -0.389 18.693 19.000 0.136 0.000 0.933 1268 A HN 1.365 nan 8.150 nan 0.000 0.479 1269 G N -0.019 108.823 108.800 0.071 0.000 2.204 1269 G HA2 -0.165 3.796 3.960 0.001 0.000 0.244 1269 G HA3 -0.165 3.796 3.960 0.001 0.000 0.244 1269 G C -0.342 174.590 174.900 0.053 0.000 1.062 1269 G CA 0.096 45.230 45.100 0.056 0.000 0.798 1269 G HN 0.438 nan 8.290 nan 0.000 0.496 1270 R N -0.275 120.255 120.500 0.049 0.000 2.575 1270 R HA 0.506 4.847 4.340 0.001 0.000 0.293 1270 R C 1.269 177.584 176.300 0.024 0.000 0.983 1270 R CA -1.221 54.906 56.100 0.045 0.000 0.887 1270 R CB 1.028 31.366 30.300 0.063 0.000 1.184 1270 R HN 0.020 nan 8.270 nan 0.000 0.445 1271 I N 1.525 122.106 120.570 0.019 0.000 2.208 1271 I HA -0.271 3.900 4.170 0.001 0.000 0.245 1271 I C 2.231 178.347 176.117 -0.003 0.000 1.097 1271 I CA 1.551 62.852 61.300 0.002 0.000 1.363 1271 I CB -0.404 37.599 38.000 0.005 0.000 1.051 1271 I HN 0.733 nan 8.210 nan 0.000 0.413 1272 E N 0.617 120.828 120.200 0.019 0.000 2.085 1272 E HA -0.214 4.136 4.350 0.001 0.000 0.194 1272 E C 2.016 178.628 176.600 0.020 0.000 0.994 1272 E CA 2.055 58.473 56.400 0.031 0.000 0.801 1272 E CB 0.127 29.860 29.700 0.055 0.000 0.743 1272 E HN 0.426 nan 8.360 nan 0.000 0.453 1273 T N 0.834 115.401 114.554 0.021 0.000 2.821 1273 T HA -0.112 4.239 4.350 0.001 0.000 0.267 1273 T C 1.855 176.464 174.700 -0.153 0.000 1.046 1273 T CA 1.384 63.481 62.100 -0.004 0.000 1.139 1273 T CB -0.113 68.796 68.868 0.068 0.000 0.871 1273 T HN 0.214 nan 8.240 nan 0.000 0.454 1274 M N 0.272 119.808 119.600 -0.108 0.000 2.117 1274 M HA -0.037 4.444 4.480 0.001 0.000 0.262 1274 M C 2.329 178.518 176.300 -0.185 0.000 1.065 1274 M CA 1.327 56.538 55.300 -0.147 0.000 1.114 1274 M CB -0.398 32.153 32.600 -0.082 0.000 1.361 1274 M HN 0.159 nan 8.290 nan 0.000 0.408 1275 M N 0.270 119.791 119.600 -0.132 0.000 2.117 1275 M HA -0.146 4.335 4.480 0.001 0.000 0.262 1275 M C 1.724 177.912 176.300 -0.187 0.000 1.065 1275 M CA 1.539 56.754 55.300 -0.142 0.000 1.114 1275 M CB -1.603 30.948 32.600 -0.083 0.000 1.361 1275 M HN 0.263 nan 8.290 nan 0.000 0.408 1276 N N 0.800 119.423 118.700 -0.129 0.000 2.120 1276 N HA -0.067 4.674 4.740 0.001 0.000 0.188 1276 N C 1.763 177.076 175.510 -0.328 0.000 1.024 1276 N CA 1.693 54.724 53.050 -0.032 0.000 0.852 1276 N CB -0.375 38.169 38.487 0.096 0.000 1.003 1276 N HN 0.354 nan 8.380 nan 0.000 0.424 1277 A N 1.221 123.582 122.820 -0.764 0.000 1.877 1277 A HA -0.101 4.220 4.320 0.001 0.000 0.216 1277 A C 2.247 179.626 177.584 -0.343 0.000 1.186 1277 A CA 1.045 52.522 52.037 -0.934 0.000 0.620 1277 A CB -0.811 17.672 19.000 -0.862 0.000 0.822 1277 A HN 0.239 nan 8.150 nan 0.000 0.443 1278 L N 0.078 121.138 121.223 -0.272 0.000 1.989 1278 L HA -0.223 4.118 4.340 0.001 0.000 0.211 1278 L C 2.352 179.115 176.870 -0.178 0.000 1.071 1278 L CA 2.522 57.249 54.840 -0.187 0.000 0.749 1278 L CB -0.815 41.137 42.059 -0.178 0.000 0.890 1278 L HN 0.535 nan 8.230 nan 0.000 0.431 1279 Q N -1.524 118.123 119.800 -0.255 0.000 2.436 1279 Q HA -0.090 4.251 4.340 0.001 0.000 0.209 1279 Q C 2.110 178.052 176.000 -0.096 0.000 0.965 1279 Q CA 0.977 56.596 55.803 -0.307 0.000 0.910 1279 Q CB -0.097 28.161 28.738 -0.800 0.000 0.980 1279 Q HN 0.570 nan 8.270 nan 0.000 0.491 1280 S N 0.535 116.242 115.700 0.011 0.000 2.562 1280 S HA -0.025 4.446 4.470 0.001 0.000 0.221 1280 S C 0.810 175.473 174.600 0.105 0.000 0.975 1280 S CA 0.253 58.546 58.200 0.154 0.000 0.918 1280 S CB 0.020 63.412 63.200 0.319 0.000 0.772 1280 S HN 0.481 nan 8.310 nan 0.000 0.531 1281 T N -0.605 113.971 114.554 0.038 0.000 2.918 1281 T HA 0.393 4.744 4.350 0.001 0.000 0.283 1281 T C -0.330 174.406 174.700 0.060 0.000 1.001 1281 T CA -0.721 61.401 62.100 0.036 0.000 1.041 1281 T CB 0.550 69.409 68.868 -0.016 0.000 1.028 1281 T HN 0.189 nan 8.240 nan 0.000 0.511 1282 Y N 1.947 122.204 120.300 -0.071 0.000 2.632 1282 Y HA 0.182 4.733 4.550 0.001 0.000 0.329 1282 Y C 1.765 177.621 175.900 -0.074 0.000 1.174 1282 Y CA -1.530 56.529 58.100 -0.068 0.000 1.469 1282 Y CB -0.079 38.332 38.460 -0.082 0.000 1.242 1282 Y HN 0.991 nan 8.280 nan 0.000 0.540 1283 C N 2.902 121.928 119.300 -0.458 0.000 2.419 1283 C HA 0.063 4.524 4.460 0.001 0.000 0.283 1283 C C 2.287 176.954 174.990 -0.538 0.000 1.373 1283 C CA 0.818 59.581 59.018 -0.425 0.000 1.781 1283 C CB -1.552 25.996 27.740 -0.319 0.000 1.886 1283 C HN 1.003 nan 8.230 nan 0.000 0.520 1284 G N 0.251 108.437 108.800 -1.022 0.000 2.623 1284 G HA2 0.242 4.203 3.960 0.001 0.000 0.214 1284 G HA3 0.242 4.203 3.960 0.001 0.000 0.214 1284 G C 1.281 176.049 174.900 -0.221 0.000 1.138 1284 G CA 1.171 45.917 45.100 -0.591 0.000 0.794 1284 G HN 1.085 nan 8.290 nan 0.000 0.535 1285 S N -1.801 113.820 115.700 -0.131 0.000 2.775 1285 S HA 0.281 4.752 4.470 0.001 0.000 0.227 1285 S C 0.888 175.440 174.600 -0.080 0.000 0.845 1285 S CA 0.197 58.369 58.200 -0.047 0.000 1.407 1285 S CB -0.450 62.764 63.200 0.023 0.000 1.259 1285 S HN 0.567 nan 8.310 nan 0.000 0.612 1286 G N 1.352 110.107 108.800 -0.076 0.000 2.414 1286 G HA2 0.479 4.440 3.960 0.001 0.000 0.236 1286 G HA3 0.479 4.440 3.960 0.001 0.000 0.236 1286 G C -0.494 174.333 174.900 -0.121 0.000 1.293 1286 G CA -0.033 45.001 45.100 -0.111 0.000 0.869 1286 G HN 0.552 nan 8.290 nan 0.000 0.556 1287 V N 1.983 121.809 119.914 -0.145 0.000 2.448 1287 V HA 0.493 4.614 4.120 0.001 0.000 0.295 1287 V C 0.138 176.243 176.094 0.019 0.000 1.025 1287 V CA -0.578 61.701 62.300 -0.036 0.000 0.859 1287 V CB 1.924 33.787 31.823 0.066 0.000 0.988 1287 V HN 0.812 nan 8.190 nan 0.000 0.431 1288 T N 4.336 118.888 114.554 -0.002 0.000 2.792 1288 T HA 0.581 4.932 4.350 0.001 0.000 0.280 1288 T C -0.492 174.204 174.700 -0.006 0.000 0.990 1288 T CA -0.397 61.698 62.100 -0.009 0.000 0.960 1288 T CB 1.694 70.525 68.868 -0.062 0.000 0.939 1288 T HN 0.321 nan 8.240 nan 0.000 0.439 1289 V N 4.417 124.335 119.914 0.007 0.000 2.384 1289 V HA 0.454 4.575 4.120 0.001 0.000 0.287 1289 V C 0.134 176.223 176.094 -0.008 0.000 1.020 1289 V CA -0.877 61.422 62.300 -0.002 0.000 0.850 1289 V CB 1.488 33.314 31.823 0.004 0.000 0.987 1289 V HN 0.808 nan 8.190 nan 0.000 0.436 1290 V N 4.846 124.750 119.914 -0.018 0.000 2.407 1290 V HA 0.571 4.692 4.120 0.001 0.000 0.278 1290 V C 0.235 176.332 176.094 0.004 0.000 1.037 1290 V CA -0.148 62.144 62.300 -0.014 0.000 0.900 1290 V CB 1.262 33.069 31.823 -0.028 0.000 0.983 1290 V HN 0.713 nan 8.190 nan 0.000 0.459 1291 L N 3.647 124.885 121.223 0.024 0.000 2.653 1291 L HA 0.479 4.820 4.340 0.001 0.000 0.230 1291 L C 1.661 178.562 176.870 0.052 0.000 1.055 1291 L CA 0.627 55.494 54.840 0.045 0.000 0.880 1291 L CB 0.035 42.131 42.059 0.061 0.000 1.195 1291 L HN 0.855 nan 8.230 nan 0.000 0.492 1292 G N 0.886 109.715 108.800 0.048 0.000 2.527 1292 G HA2 0.454 4.414 3.960 0.001 0.000 0.248 1292 G HA3 0.454 4.414 3.960 0.001 0.000 0.248 1292 G C -0.930 173.992 174.900 0.037 0.000 1.231 1292 G CA -0.199 44.931 45.100 0.051 0.000 0.838 1292 G HN -0.091 nan 8.290 nan 0.000 0.570 1293 L N 1.227 122.473 121.223 0.039 0.000 2.305 1293 L HA 0.619 4.960 4.340 0.001 0.000 0.284 1293 L C 0.767 177.658 176.870 0.035 0.000 1.013 1293 L CA -0.351 54.507 54.840 0.030 0.000 0.819 1293 L CB 1.274 43.349 42.059 0.027 0.000 1.227 1293 L HN 0.707 nan 8.230 nan 0.000 0.417 1294 A N 1.860 124.698 122.820 0.029 0.000 2.239 1294 A HA 0.680 5.001 4.320 0.001 0.000 0.303 1294 A C 0.378 177.983 177.584 0.035 0.000 1.114 1294 A CA -0.431 51.626 52.037 0.034 0.000 0.871 1294 A CB 0.655 19.671 19.000 0.027 0.000 1.201 1294 A HN 0.575 nan 8.150 nan 0.000 0.506 1295 S N -0.005 115.719 115.700 0.040 0.000 2.558 1295 S HA 0.136 4.606 4.470 0.001 0.000 0.291 1295 S C -1.403 173.216 174.600 0.032 0.000 1.306 1295 S CA -0.629 57.596 58.200 0.042 0.000 1.056 1295 S CB 0.148 63.374 63.200 0.044 0.000 0.836 1295 S HN 0.410 nan 8.310 nan 0.000 0.504 1296 P HA -0.140 nan 4.420 nan 0.000 0.218 1296 P C 0.370 177.683 177.300 0.021 0.000 1.154 1296 P CA 1.703 64.819 63.100 0.027 0.000 0.872 1296 P CB -0.022 31.696 31.700 0.031 0.000 0.790 1297 N N -1.544 117.169 118.700 0.023 0.000 2.353 1297 N HA 0.013 4.754 4.740 0.001 0.000 0.185 1297 N C 0.133 175.652 175.510 0.015 0.000 1.098 1297 N CA -0.156 52.905 53.050 0.018 0.000 0.872 1297 N CB 0.073 38.571 38.487 0.019 0.000 0.970 1297 N HN 0.322 nan 8.380 nan 0.000 0.467 1298 E N 1.414 121.624 120.200 0.016 0.000 2.398 1298 E HA 0.171 4.522 4.350 0.001 0.000 0.263 1298 E C -0.039 176.565 176.600 0.006 0.000 1.046 1298 E CA 0.250 56.658 56.400 0.013 0.000 0.908 1298 E CB 0.803 30.514 29.700 0.017 0.000 0.963 1298 E HN 0.050 nan 8.360 nan 0.000 0.431 1299 R N 1.470 121.972 120.500 0.002 0.000 2.744 1299 R HA 0.370 4.711 4.340 0.001 0.000 0.279 1299 R C -0.956 175.338 176.300 -0.009 0.000 0.977 1299 R CA -1.237 54.860 56.100 -0.004 0.000 0.906 1299 R CB 1.281 31.578 30.300 -0.005 0.000 1.197 1299 R HN 0.342 nan 8.270 nan 0.000 0.463 1300 L N 4.092 125.305 121.223 -0.017 0.000 2.260 1300 L HA 0.394 4.735 4.340 0.001 0.000 0.289 1300 L C -1.980 174.874 176.870 -0.027 0.000 1.057 1300 L CA -1.529 53.296 54.840 -0.025 0.000 0.811 1300 L CB 0.866 42.904 42.059 -0.035 0.000 1.184 1300 L HN 0.365 nan 8.230 nan 0.000 0.429 1301 P HA 0.163 nan 4.420 nan 0.000 0.252 1301 P C -0.959 176.318 177.300 -0.039 0.000 1.727 1301 P CA -0.359 62.725 63.100 -0.026 0.000 1.134 1301 P CB 0.111 31.799 31.700 -0.019 0.000 1.876 1302 L N 2.732 123.930 121.223 -0.042 0.000 2.313 1302 L HA 0.290 4.631 4.340 0.001 0.000 0.282 1302 L C 0.015 176.854 176.870 -0.050 0.000 1.092 1302 L CA -0.298 54.510 54.840 -0.053 0.000 0.831 1302 L CB 0.290 42.317 42.059 -0.053 0.000 1.159 1302 L HN 0.088 nan 8.230 nan 0.000 0.442 1303 D N 6.810 127.174 120.400 -0.059 0.000 2.339 1303 D HA 0.276 4.917 4.640 0.001 0.000 0.241 1303 D C -1.829 174.436 176.300 -0.059 0.000 1.183 1303 D CA -2.100 51.867 54.000 -0.054 0.000 0.859 1303 D CB 1.601 42.366 40.800 -0.059 0.000 1.067 1303 D HN 0.364 nan 8.370 nan 0.000 0.484 1304 P HA -0.152 nan 4.420 nan 0.000 0.217 1304 P C 1.509 178.776 177.300 -0.056 0.000 1.148 1304 P CA 0.953 64.023 63.100 -0.050 0.000 0.834 1304 P CB 0.146 31.822 31.700 -0.040 0.000 0.783 1305 L N -1.723 119.466 121.223 -0.056 0.000 2.187 1305 L HA -0.168 4.172 4.340 0.001 0.000 0.213 1305 L C 2.255 179.079 176.870 -0.076 0.000 1.100 1305 L CA 1.077 55.880 54.840 -0.060 0.000 0.765 1305 L CB -0.869 41.158 42.059 -0.054 0.000 0.904 1305 L HN 0.027 nan 8.230 nan 0.000 0.437 1306 L N -0.703 120.469 121.223 -0.085 0.000 2.275 1306 L HA -0.164 4.177 4.340 0.001 0.000 0.215 1306 L C 2.187 178.995 176.870 -0.103 0.000 1.119 1306 L CA 0.842 55.620 54.840 -0.104 0.000 0.790 1306 L CB -0.160 41.828 42.059 -0.119 0.000 0.919 1306 L HN 0.329 nan 8.230 nan 0.000 0.443 1307 L N -1.492 119.678 121.223 -0.087 0.000 2.357 1307 L HA -0.029 4.312 4.340 0.001 0.000 0.211 1307 L C 2.287 179.110 176.870 -0.079 0.000 1.075 1307 L CA 0.207 54.998 54.840 -0.082 0.000 0.830 1307 L CB -0.178 41.840 42.059 -0.068 0.000 0.996 1307 L HN 0.170 nan 8.230 nan 0.000 0.467 1308 L N 0.448 121.628 121.223 -0.072 0.000 2.129 1308 L HA -0.233 4.108 4.340 0.001 0.000 0.212 1308 L C 2.675 179.499 176.870 -0.076 0.000 1.087 1308 L CA 2.027 56.827 54.840 -0.066 0.000 0.757 1308 L CB -0.863 41.161 42.059 -0.058 0.000 0.896 1308 L HN 0.478 nan 8.230 nan 0.000 0.434 1309 T N -3.990 110.506 114.554 -0.097 0.000 3.035 1309 T HA 0.117 4.468 4.350 0.001 0.000 0.268 1309 T C 1.320 175.941 174.700 -0.131 0.000 1.109 1309 T CA 0.753 62.781 62.100 -0.120 0.000 1.119 1309 T CB 0.363 69.137 68.868 -0.157 0.000 0.900 1309 T HN 0.502 nan 8.240 nan 0.000 0.503 1310 G N 0.598 109.328 108.800 -0.117 0.000 2.276 1310 G HA2 -0.053 3.908 3.960 0.001 0.000 0.177 1310 G HA3 -0.053 3.908 3.960 0.001 0.000 0.177 1310 G C -0.000 174.837 174.900 -0.104 0.000 1.017 1310 G CA -0.827 44.210 45.100 -0.105 0.000 0.750 1310 G HN 0.505 nan 8.290 nan 0.000 0.506 1311 R N 0.398 120.833 120.500 -0.108 0.000 2.528 1311 R HA 0.709 5.050 4.340 0.001 0.000 0.271 1311 R C -0.422 175.834 176.300 -0.074 0.000 1.056 1311 R CA -0.061 55.980 56.100 -0.098 0.000 1.117 1311 R CB 1.213 31.448 30.300 -0.107 0.000 1.085 1311 R HN 0.168 nan 8.270 nan 0.000 0.530 1312 S N 1.327 116.989 115.700 -0.063 0.000 2.526 1312 S HA 0.466 4.937 4.470 0.001 0.000 0.293 1312 S C -1.466 173.107 174.600 -0.045 0.000 1.092 1312 S CA -0.707 57.465 58.200 -0.046 0.000 0.980 1312 S CB 1.701 64.883 63.200 -0.030 0.000 1.048 1312 S HN 0.322 nan 8.310 nan 0.000 0.483 1313 L N 4.198 125.394 121.223 -0.044 0.000 2.376 1313 L HA 0.715 5.056 4.340 0.001 0.000 0.275 1313 L C -0.914 175.933 176.870 -0.038 0.000 0.987 1313 L CA -0.140 54.672 54.840 -0.046 0.000 0.828 1313 L CB 0.920 42.945 42.059 -0.057 0.000 1.249 1313 L HN 0.808 nan 8.230 nan 0.000 0.409 1314 K N 3.040 123.421 120.400 -0.033 0.000 2.522 1314 K HA 1.004 5.324 4.320 0.001 0.000 0.275 1314 K C -0.854 175.725 176.600 -0.034 0.000 1.006 1314 K CA -0.964 55.303 56.287 -0.033 0.000 0.890 1314 K CB 1.887 34.371 32.500 -0.027 0.000 1.475 1314 K HN 0.644 nan 8.250 nan 0.000 0.441 1315 G N -0.369 108.406 108.800 -0.041 0.000 2.725 1315 G HA2 0.690 4.651 3.960 0.001 0.000 0.288 1315 G HA3 0.690 4.651 3.960 0.001 0.000 0.288 1315 G C -1.384 173.489 174.900 -0.045 0.000 1.399 1315 G CA -0.631 44.445 45.100 -0.039 0.000 0.859 1315 G HN 0.975 nan 8.290 nan 0.000 0.479 1316 S N -2.032 113.652 115.700 -0.028 0.000 2.595 1316 S HA 0.711 5.182 4.470 0.001 0.000 0.270 1316 S C -1.600 173.028 174.600 0.046 0.000 1.145 1316 S CA -0.679 57.511 58.200 -0.015 0.000 0.825 1316 S CB 1.557 64.748 63.200 -0.014 0.000 1.107 1316 S HN 1.064 nan 8.310 nan 0.000 0.461 1317 V N 1.820 121.797 119.914 0.105 0.000 2.815 1317 V HA 0.645 4.766 4.120 0.001 0.000 0.314 1317 V C 0.223 176.535 176.094 0.363 0.000 1.064 1317 V CA -0.504 61.947 62.300 0.251 0.000 0.952 1317 V CB 1.098 33.102 31.823 0.301 0.000 1.020 1317 V HN 1.294 nan 8.190 nan 0.000 0.439 1318 F N 3.324 123.439 119.950 0.276 0.000 3.079 1318 F HA -0.286 4.242 4.527 0.002 0.000 0.274 1318 F C 1.442 177.398 175.800 0.260 0.000 0.940 1318 F CA 0.913 59.065 58.000 0.254 0.000 0.932 1318 F CB -0.600 38.401 39.000 0.002 0.000 0.891 1318 F HN 1.054 nan 8.300 nan 0.000 0.722 1319 G N 0.219 109.107 108.800 0.147 0.000 2.212 1319 G HA2 -0.013 3.948 3.960 0.001 0.000 0.267 1319 G HA3 -0.013 3.948 3.960 0.001 0.000 0.267 1319 G C 1.708 176.501 174.900 -0.179 0.000 1.002 1319 G CA 1.058 46.158 45.100 0.001 0.000 0.729 1319 G HN 2.219 nan 8.290 nan 0.000 0.517 1320 G N -2.172 106.594 108.800 -0.057 0.000 2.184 1320 G HA2 -0.250 3.711 3.960 0.001 0.000 0.264 1320 G HA3 -0.250 3.711 3.960 0.001 0.000 0.264 1320 G C 0.424 175.244 174.900 -0.133 0.000 0.975 1320 G CA 0.494 45.528 45.100 -0.111 0.000 0.642 1320 G HN 1.162 nan 8.290 nan 0.000 0.536 1321 F N 1.192 121.111 119.950 -0.051 0.000 2.418 1321 F HA 0.516 5.043 4.527 0.001 0.000 0.341 1321 F C 1.205 177.089 175.800 0.140 0.000 1.120 1321 F CA 0.017 57.992 58.000 -0.042 0.000 1.232 1321 F CB 0.804 39.633 39.000 -0.284 0.000 1.175 1321 F HN -0.115 nan 8.300 nan 0.000 0.569 1322 K N 0.862 121.463 120.400 0.334 0.000 2.098 1322 K HA 0.298 4.619 4.320 0.001 0.000 0.258 1322 K C 1.123 177.877 176.600 0.257 0.000 0.973 1322 K CA -0.245 56.186 56.287 0.240 0.000 0.898 1322 K CB 1.325 33.911 32.500 0.143 0.000 1.057 1322 K HN 0.806 nan 8.250 nan 0.000 0.447 1323 G N 1.571 110.472 108.800 0.168 0.000 2.469 1323 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 1323 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 1323 G C 1.009 175.971 174.900 0.104 0.000 1.136 1323 G CA 1.108 46.281 45.100 0.123 0.000 0.759 1323 G HN 0.856 nan 8.290 nan 0.000 0.562 1324 E N 0.419 120.673 120.200 0.089 0.000 2.472 1324 E HA -0.049 4.302 4.350 0.001 0.000 0.200 1324 E C 1.521 178.169 176.600 0.080 0.000 1.046 1324 E CA 0.918 57.360 56.400 0.069 0.000 0.871 1324 E CB -0.158 29.576 29.700 0.057 0.000 0.806 1324 E HN 0.598 nan 8.360 nan 0.000 0.533 1325 E N 0.652 120.922 120.200 0.116 0.000 2.476 1325 E HA 0.027 4.378 4.350 0.001 0.000 0.199 1325 E C 1.794 178.401 176.600 0.012 0.000 1.021 1325 E CA 0.055 56.523 56.400 0.114 0.000 0.907 1325 E CB 0.627 30.484 29.700 0.261 0.000 0.974 1325 E HN 0.082 nan 8.360 nan 0.000 0.489 1326 V N 1.026 120.949 119.914 0.015 0.000 2.343 1326 V HA -0.271 3.850 4.120 0.001 0.000 0.247 1326 V C 2.421 178.491 176.094 -0.040 0.000 1.051 1326 V CA 2.053 64.331 62.300 -0.037 0.000 1.036 1326 V CB -0.407 31.457 31.823 0.067 0.000 0.654 1326 V HN 0.276 nan 8.190 nan 0.000 0.451 1327 S N -0.456 115.240 115.700 -0.005 0.000 2.383 1327 S HA -0.252 4.219 4.470 0.001 0.000 0.229 1327 S C 2.273 176.863 174.600 -0.017 0.000 1.030 1327 S CA 1.499 59.694 58.200 -0.008 0.000 1.002 1327 S CB -0.353 62.849 63.200 0.004 0.000 0.829 1327 S HN 0.431 nan 8.310 nan 0.000 0.467 1328 R N 0.947 121.440 120.500 -0.012 0.000 2.081 1328 R HA 0.032 4.373 4.340 0.001 0.000 0.235 1328 R C 2.269 178.550 176.300 -0.032 0.000 1.131 1328 R CA 1.370 57.467 56.100 -0.005 0.000 0.960 1328 R CB -1.110 29.206 30.300 0.027 0.000 0.856 1328 R HN 0.503 nan 8.270 nan 0.000 0.436 1329 L N 0.140 121.311 121.223 -0.087 0.000 2.046 1329 L HA -0.169 4.172 4.340 0.001 0.000 0.208 1329 L C 2.508 179.324 176.870 -0.090 0.000 1.077 1329 L CA 1.053 55.808 54.840 -0.142 0.000 0.747 1329 L CB -0.392 41.491 42.059 -0.294 0.000 0.896 1329 L HN -0.025 nan 8.230 nan 0.000 0.432 1330 V N -0.375 119.506 119.914 -0.055 0.000 2.407 1330 V HA -0.285 3.836 4.120 0.001 0.000 0.248 1330 V C 2.099 178.187 176.094 -0.010 0.000 1.055 1330 V CA 1.781 64.084 62.300 0.006 0.000 1.049 1330 V CB -0.556 31.268 31.823 0.003 0.000 0.662 1330 V HN 0.439 nan 8.190 nan 0.000 0.455 1331 D N 0.199 120.581 120.400 -0.031 0.000 2.097 1331 D HA -0.167 4.474 4.640 0.001 0.000 0.195 1331 D C 1.928 178.201 176.300 -0.045 0.000 0.989 1331 D CA 1.504 55.479 54.000 -0.043 0.000 0.827 1331 D CB -0.393 40.391 40.800 -0.027 0.000 0.966 1331 D HN 0.404 nan 8.370 nan 0.000 0.456 1332 D N -0.328 120.055 120.400 -0.028 0.000 2.149 1332 D HA -0.180 4.461 4.640 0.001 0.000 0.198 1332 D C 1.935 178.223 176.300 -0.019 0.000 0.990 1332 D CA 0.620 54.607 54.000 -0.022 0.000 0.839 1332 D CB -0.419 40.370 40.800 -0.018 0.000 0.948 1332 D HN 0.279 nan 8.370 nan 0.000 0.460 1333 Y N 1.030 121.216 120.300 -0.190 0.000 2.181 1333 Y HA -0.081 4.470 4.550 0.001 0.000 0.288 1333 Y C 2.103 177.891 175.900 -0.187 0.000 1.146 1333 Y CA 1.229 59.182 58.100 -0.245 0.000 1.164 1333 Y CB -0.508 37.765 38.460 -0.312 0.000 0.982 1333 Y HN -0.107 nan 8.280 nan 0.000 0.515 1334 M N -0.170 119.226 119.600 -0.339 0.000 2.476 1334 M HA -0.104 4.376 4.480 0.001 0.000 0.262 1334 M C 1.434 177.599 176.300 -0.225 0.000 1.079 1334 M CA 1.338 56.400 55.300 -0.396 0.000 1.104 1334 M CB -0.056 32.372 32.600 -0.287 0.000 1.409 1334 M HN 0.082 nan 8.290 nan 0.000 0.467 1335 K N 0.241 120.556 120.400 -0.142 0.000 2.404 1335 K HA 0.101 4.422 4.320 0.001 0.000 0.194 1335 K C 0.207 176.760 176.600 -0.078 0.000 1.023 1335 K CA 0.105 56.338 56.287 -0.090 0.000 1.094 1335 K CB 0.313 32.781 32.500 -0.054 0.000 0.841 1335 K HN 0.158 nan 8.250 nan 0.000 0.523 1336 K N -0.476 119.864 120.400 -0.101 0.000 3.391 1336 K HA -0.251 4.069 4.320 0.001 0.000 0.307 1336 K C 0.448 177.017 176.600 -0.052 0.000 1.304 1336 K CA 0.908 57.144 56.287 -0.085 0.000 0.904 1336 K CB -1.132 31.324 32.500 -0.073 0.000 1.293 1336 K HN 0.143 nan 8.250 nan 0.000 0.470 1337 K N 0.661 121.043 120.400 -0.030 0.000 2.097 1337 K HA -0.012 4.308 4.320 0.001 0.000 0.205 1337 K C 1.168 177.772 176.600 0.008 0.000 1.050 1337 K CA 1.470 57.758 56.287 0.003 0.000 0.938 1337 K CB -0.082 32.430 32.500 0.020 0.000 0.718 1337 K HN 0.469 nan 8.250 nan 0.000 0.442 1338 I N -1.564 118.986 120.570 -0.033 0.000 2.498 1338 I HA 0.314 4.485 4.170 0.001 0.000 0.290 1338 I C -1.201 174.805 176.117 -0.185 0.000 1.032 1338 I CA -0.932 60.323 61.300 -0.074 0.000 1.073 1338 I CB 1.870 39.793 38.000 -0.128 0.000 1.251 1338 I HN -0.162 nan 8.210 nan 0.000 0.426 1339 N N 5.227 123.738 118.700 -0.315 0.000 3.234 1339 N HA 0.172 4.913 4.740 0.001 0.000 0.272 1339 N C 1.191 176.354 175.510 -0.578 0.000 1.254 1339 N CA -0.180 52.519 53.050 -0.585 0.000 1.087 1339 N CB 1.778 39.411 38.487 -1.423 0.000 1.356 1339 N HN 0.588 nan 8.380 nan 0.000 0.511 1340 V N 1.350 120.766 119.914 -0.831 0.000 2.380 1340 V HA -0.315 3.806 4.120 0.001 0.000 0.251 1340 V C 2.310 178.093 176.094 -0.518 0.000 1.063 1340 V CA 1.705 63.386 62.300 -1.032 0.000 1.055 1340 V CB -0.408 30.358 31.823 -1.762 0.000 0.657 1340 V HN 0.654 nan 8.190 nan 0.000 0.455 1341 N N 0.097 118.596 118.700 -0.334 0.000 2.348 1341 N HA -0.226 4.514 4.740 0.001 0.000 0.185 1341 N C 1.624 177.244 175.510 0.182 0.000 1.019 1341 N CA 1.518 54.564 53.050 -0.006 0.000 0.880 1341 N CB -0.607 37.981 38.487 0.167 0.000 0.965 1341 N HN 0.403 nan 8.380 nan 0.000 0.437 1342 F N 1.259 121.175 119.950 -0.057 0.000 2.333 1342 F HA 0.110 4.638 4.527 0.001 0.000 0.300 1342 F C 2.105 177.874 175.800 -0.052 0.000 1.083 1342 F CA 0.084 58.070 58.000 -0.023 0.000 1.395 1342 F CB -0.493 38.522 39.000 0.024 0.000 1.056 1342 F HN 0.021 nan 8.300 nan 0.000 0.529 1343 L N -0.775 120.516 121.223 0.114 0.000 2.554 1343 L HA 0.040 4.381 4.340 0.001 0.000 0.226 1343 L C 0.364 177.193 176.870 -0.069 0.000 1.137 1343 L CA 0.077 54.912 54.840 -0.008 0.000 0.863 1343 L CB -0.375 41.711 42.059 0.045 0.000 0.985 1343 L HN -0.277 nan 8.230 nan 0.000 0.451 1344 V N 0.982 120.876 119.914 -0.034 0.000 2.387 1344 V HA 0.023 4.144 4.120 0.001 0.000 0.260 1344 V C 1.264 177.326 176.094 -0.054 0.000 1.054 1344 V CA 0.394 62.666 62.300 -0.048 0.000 0.967 1344 V CB 0.916 32.721 31.823 -0.030 0.000 1.036 1344 V HN 0.354 nan 8.190 nan 0.000 0.481 1345 S N 2.243 117.894 115.700 -0.083 0.000 2.524 1345 S HA 0.174 4.644 4.470 0.001 0.000 0.215 1345 S C 0.638 175.201 174.600 -0.062 0.000 0.986 1345 S CA -0.210 57.940 58.200 -0.083 0.000 0.911 1345 S CB 0.384 63.513 63.200 -0.118 0.000 0.805 1345 S HN 0.619 nan 8.310 nan 0.000 0.501 1346 T N 1.885 116.406 114.554 -0.056 0.000 3.032 1346 T HA 0.448 4.799 4.350 0.001 0.000 0.312 1346 T C -1.456 173.222 174.700 -0.036 0.000 1.078 1346 T CA -0.732 61.342 62.100 -0.043 0.000 1.028 1346 T CB 2.051 70.892 68.868 -0.045 0.000 1.091 1346 T HN 0.087 nan 8.240 nan 0.000 0.457 1347 K N 3.068 123.453 120.400 -0.024 0.000 2.376 1347 K HA 0.763 5.084 4.320 0.001 0.000 0.257 1347 K C -0.891 175.705 176.600 -0.008 0.000 0.939 1347 K CA -0.650 55.626 56.287 -0.017 0.000 0.809 1347 K CB 1.779 34.272 32.500 -0.012 0.000 1.121 1347 K HN 0.392 nan 8.250 nan 0.000 0.425 1348 L N 0.343 121.566 121.223 -0.001 0.000 2.171 1348 L HA 0.572 4.913 4.340 0.001 0.000 0.253 1348 L C 0.239 177.132 176.870 0.037 0.000 1.054 1348 L CA -1.022 53.825 54.840 0.011 0.000 0.927 1348 L CB 1.977 44.039 42.059 0.005 0.000 1.513 1348 L HN 0.656 nan 8.230 nan 0.000 0.471 1349 T N -2.435 112.144 114.554 0.042 0.000 2.950 1349 T HA 0.347 4.698 4.350 0.001 0.000 0.288 1349 T C 0.519 175.256 174.700 0.061 0.000 1.035 1349 T CA -0.680 61.462 62.100 0.070 0.000 1.028 1349 T CB 1.578 70.469 68.868 0.039 0.000 1.109 1349 T HN 0.422 nan 8.240 nan 0.000 0.514 1350 L N 0.775 122.031 121.223 0.056 0.000 2.043 1350 L HA -0.066 4.275 4.340 0.001 0.000 0.212 1350 L C 1.885 178.721 176.870 -0.057 0.000 1.075 1350 L CA 1.996 56.814 54.840 -0.037 0.000 0.752 1350 L CB -1.150 40.748 42.059 -0.269 0.000 0.891 1350 L HN 0.727 nan 8.230 nan 0.000 0.432 1351 D N -0.632 119.743 120.400 -0.043 0.000 2.221 1351 D HA -0.204 4.437 4.640 0.001 0.000 0.204 1351 D C 1.708 177.994 176.300 -0.024 0.000 0.982 1351 D CA 1.142 55.122 54.000 -0.034 0.000 0.857 1351 D CB -0.015 40.772 40.800 -0.022 0.000 0.934 1351 D HN 0.604 nan 8.370 nan 0.000 0.475 1352 Q N -0.024 119.768 119.800 -0.014 0.000 2.246 1352 Q HA 0.193 4.534 4.340 0.001 0.000 0.202 1352 Q C 1.931 177.928 176.000 -0.005 0.000 0.883 1352 Q CA -0.357 55.442 55.803 -0.006 0.000 0.952 1352 Q CB 0.708 29.448 28.738 0.002 0.000 1.078 1352 Q HN 0.291 nan 8.270 nan 0.000 0.493 1353 I N 1.092 121.645 120.570 -0.029 0.000 2.236 1353 I HA -0.393 3.778 4.170 0.001 0.000 0.249 1353 I C 1.471 177.634 176.117 0.077 0.000 1.102 1353 I CA 1.243 62.521 61.300 -0.036 0.000 1.365 1353 I CB 0.136 38.040 38.000 -0.160 0.000 1.051 1353 I HN 0.328 nan 8.210 nan 0.000 0.420 1354 N N 0.941 119.656 118.700 0.025 0.000 2.289 1354 N HA -0.224 4.517 4.740 0.001 0.000 0.184 1354 N C 1.744 177.327 175.510 0.122 0.000 1.016 1354 N CA 1.019 54.102 53.050 0.054 0.000 0.872 1354 N CB -0.250 38.222 38.487 -0.025 0.000 0.973 1354 N HN 0.356 nan 8.380 nan 0.000 0.433 1355 K N 1.728 122.172 120.400 0.074 0.000 2.097 1355 K HA 0.039 4.360 4.320 0.001 0.000 0.206 1355 K C 1.776 178.415 176.600 0.066 0.000 1.049 1355 K CA 1.254 57.575 56.287 0.056 0.000 0.933 1355 K CB -0.451 32.064 32.500 0.025 0.000 0.717 1355 K HN 0.057 nan 8.250 nan 0.000 0.442 1356 A N -0.198 122.665 122.820 0.071 0.000 1.902 1356 A HA -0.065 4.256 4.320 0.001 0.000 0.217 1356 A C 2.030 179.604 177.584 -0.016 0.000 1.181 1356 A CA 1.459 53.495 52.037 -0.002 0.000 0.623 1356 A CB -0.841 18.121 19.000 -0.064 0.000 0.818 1356 A HN 0.355 nan 8.150 nan 0.000 0.443 1357 F N 0.212 120.147 119.950 -0.026 0.000 2.234 1357 F HA -0.068 4.460 4.527 0.002 0.000 0.299 1357 F C 2.387 178.193 175.800 0.010 0.000 1.087 1357 F CA 1.565 59.568 58.000 0.005 0.000 1.340 1357 F CB -0.335 38.674 39.000 0.015 0.000 1.031 1357 F HN 0.314 nan 8.300 nan 0.000 0.500 1358 E N 0.179 120.487 120.200 0.179 0.000 2.106 1358 E HA -0.171 4.180 4.350 0.001 0.000 0.192 1358 E C 2.250 178.880 176.600 0.049 0.000 0.984 1358 E CA 0.921 57.381 56.400 0.100 0.000 0.806 1358 E CB -0.316 29.427 29.700 0.073 0.000 0.750 1358 E HN 0.384 nan 8.360 nan 0.000 0.458 1359 L N 0.756 121.992 121.223 0.022 0.000 2.191 1359 L HA -0.169 4.172 4.340 0.001 0.000 0.212 1359 L C 2.231 179.078 176.870 -0.038 0.000 1.103 1359 L CA 0.622 55.451 54.840 -0.018 0.000 0.769 1359 L CB -0.248 41.790 42.059 -0.035 0.000 0.908 1359 L HN 0.199 nan 8.230 nan 0.000 0.438 1360 L N -1.263 119.940 121.223 -0.034 0.000 2.265 1360 L HA -0.170 4.170 4.340 0.001 0.000 0.215 1360 L C 2.261 179.117 176.870 -0.023 0.000 1.117 1360 L CA 0.959 55.774 54.840 -0.041 0.000 0.782 1360 L CB -0.323 41.711 42.059 -0.043 0.000 0.914 1360 L HN 0.170 nan 8.230 nan 0.000 0.441 1361 S N -1.361 114.339 115.700 0.000 0.000 2.568 1361 S HA 0.032 4.503 4.470 0.001 0.000 0.232 1361 S C 1.762 176.358 174.600 -0.007 0.000 0.975 1361 S CA 0.337 58.545 58.200 0.014 0.000 0.949 1361 S CB 0.076 63.307 63.200 0.052 0.000 0.829 1361 S HN 0.499 nan 8.310 nan 0.000 0.479 1362 S N 0.918 116.591 115.700 -0.046 0.000 2.311 1362 S HA 0.397 4.868 4.470 0.001 0.000 0.209 1362 S C 1.566 176.104 174.600 -0.104 0.000 1.029 1362 S CA 0.971 59.143 58.200 -0.047 0.000 0.968 1362 S CB -0.914 62.258 63.200 -0.048 0.000 0.946 1362 S HN 1.262 nan 8.310 nan 0.000 0.450 1363 G N 1.190 109.838 108.800 -0.253 0.000 2.165 1363 G HA2 0.103 4.064 3.960 0.001 0.000 0.144 1363 G HA3 0.103 4.064 3.960 0.001 0.000 0.144 1363 G C -0.418 174.346 174.900 -0.226 0.000 1.049 1363 G CA -0.073 44.700 45.100 -0.544 0.000 0.741 1363 G HN 1.001 nan 8.290 nan 0.000 0.493 1364 Q N -1.084 118.626 119.800 -0.150 0.000 2.630 1364 Q HA 0.676 5.017 4.340 0.001 0.000 0.295 1364 Q C 0.417 176.366 176.000 -0.086 0.000 0.944 1364 Q CA -0.370 55.389 55.803 -0.074 0.000 0.766 1364 Q CB 1.516 30.227 28.738 -0.045 0.000 1.471 1364 Q HN 1.937 nan 8.270 nan 0.000 0.416 1365 G N -0.604 108.143 108.800 -0.087 0.000 2.855 1365 G HA2 -0.134 3.827 3.960 0.001 0.000 0.352 1365 G HA3 -0.134 3.827 3.960 0.001 0.000 0.352 1365 G C -0.214 174.558 174.900 -0.213 0.000 1.415 1365 G CA -0.097 44.920 45.100 -0.139 0.000 0.871 1365 G HN 0.886 nan 8.290 nan 0.000 0.543 1366 V N -0.054 119.695 119.914 -0.274 0.000 3.671 1366 V HA 0.498 4.619 4.120 0.001 0.000 0.202 1366 V C 1.167 177.161 176.094 -0.167 0.000 1.188 1366 V CA 0.983 63.082 62.300 -0.335 0.000 1.325 1366 V CB 0.271 31.726 31.823 -0.612 0.000 1.470 1366 V HN 0.764 nan 8.190 nan 0.000 0.520 1367 R N 0.503 120.916 120.500 -0.144 0.000 2.670 1367 R HA 0.696 5.037 4.340 0.001 0.000 0.289 1367 R C -1.119 175.129 176.300 -0.087 0.000 0.965 1367 R CA -0.094 55.950 56.100 -0.093 0.000 0.899 1367 R CB 2.032 32.294 30.300 -0.063 0.000 1.173 1367 R HN 0.390 nan 8.270 nan 0.000 0.456 1368 S N 3.000 118.650 115.700 -0.083 0.000 2.501 1368 S HA 0.664 5.135 4.470 0.001 0.000 0.301 1368 S C -0.017 174.543 174.600 -0.066 0.000 1.096 1368 S CA -0.732 57.424 58.200 -0.073 0.000 1.063 1368 S CB 1.233 64.385 63.200 -0.080 0.000 1.042 1368 S HN 0.545 nan 8.310 nan 0.000 0.494 1369 I N -0.625 119.914 120.570 -0.053 0.000 2.934 1369 I HA 0.681 4.852 4.170 0.001 0.000 0.306 1369 I C -1.284 174.810 176.117 -0.039 0.000 1.110 1369 I CA -1.283 59.986 61.300 -0.051 0.000 1.019 1369 I CB 2.006 39.970 38.000 -0.061 0.000 1.227 1369 I HN 0.470 nan 8.210 nan 0.000 0.434 1370 M N 4.624 124.198 119.600 -0.042 0.000 2.383 1370 M HA 0.541 5.022 4.480 0.001 0.000 0.325 1370 M C -1.098 175.158 176.300 -0.074 0.000 1.092 1370 M CA -0.762 54.543 55.300 0.009 0.000 0.961 1370 M CB 2.415 35.104 32.600 0.148 0.000 1.672 1370 M HN 0.361 nan 8.290 nan 0.000 0.438 1371 I N 3.196 123.775 120.570 0.016 0.000 2.339 1371 I HA 0.358 4.528 4.170 0.001 0.000 0.290 1371 I C -0.304 175.923 176.117 0.183 0.000 0.994 1371 I CA -0.532 60.764 61.300 -0.006 0.000 1.191 1371 I CB 0.248 38.253 38.000 0.009 0.000 1.343 1371 I HN 0.710 nan 8.210 nan 0.000 0.458 1372 Y N 0.000 120.292 120.300 -0.014 0.000 2.660 1372 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 1372 Y CA 0.000 58.090 58.100 -0.016 0.000 1.940 1372 Y CB 0.000 38.441 38.460 -0.031 0.000 1.050 1372 Y HN 0.000 nan 8.280 nan 0.000 0.758