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 1nt4_1_B DATA FIRST_RESID 1001 DATA SEQUENCE QTVPEGYQLQ QVLMMSRANL RAPLANNGSV LEQSTPNKWP EWDVPGGQLT DATA SEQUENCE TKGGVLEVYM GHYMREWLAE QGMVKSGEcP PPYTVYAYAN SLQRTVATAQ DATA SEQUENCE FFITGAFPGc DIPVHHQEKM GTMDPTFNPV ITDDSAAFSE QAVAAMEKEL DATA SEQUENCE SKLQLTDSYQ LLEKIVNYKD SPAcKEKQQc SLVDGKNTFS AKYQQEPGVS DATA SEQUENCE GPLKVGNSLV DAFTLQYYEG FPMDQVAWGE IKSDQQWKVL SKLKNGYQDS DATA SEQUENCE LFTSPEVARN VAKPLVSYID KALVTDRTSA PKITVLVGHD SNIASLLTAL DATA SEQUENCE DFKPYQLHDQ NERTPIGGKI VFQRWHDSKA NRDLMKIEYV YQSAEQLRNA DATA SEQUENCE DALTLQAPAQ RVTLELSGcP IDADGFcPMD KFDSVLNEAV K 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1001 Q C 0.000 176.013 176.000 0.022 0.000 1.003 1001 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 1001 Q CB 0.000 28.752 28.738 0.022 0.000 1.108 1002 T N -1.669 112.901 114.554 0.027 0.000 2.501 1002 T HA 0.654 5.004 4.350 0.000 0.000 0.201 1002 T C -0.717 173.998 174.700 0.025 0.000 0.734 1002 T CA 0.160 62.273 62.100 0.021 0.000 1.356 1002 T CB 1.344 70.221 68.868 0.016 0.000 1.754 1002 T HN 0.107 nan 8.240 nan 0.000 0.455 1003 V N 3.679 123.606 119.914 0.021 0.000 2.380 1003 V HA 0.526 4.646 4.120 0.000 0.000 0.272 1003 V C -2.034 174.071 176.094 0.018 0.000 1.011 1003 V CA -1.123 61.188 62.300 0.019 0.000 0.826 1003 V CB 0.426 32.254 31.823 0.009 0.000 1.040 1003 V HN 0.854 nan 8.190 nan 0.000 0.441 1004 P HA 0.567 nan 4.420 nan 0.000 0.281 1004 P C -0.591 176.713 177.300 0.006 0.000 1.281 1004 P CA -0.376 62.751 63.100 0.044 0.000 0.811 1004 P CB 1.779 33.537 31.700 0.097 0.000 1.154 1005 E N -1.235 118.963 120.200 -0.004 0.000 2.302 1005 E HA 0.602 4.952 4.350 0.000 0.000 0.255 1005 E C 0.085 176.606 176.600 -0.131 0.000 1.099 1005 E CA -0.513 55.798 56.400 -0.148 0.000 0.929 1005 E CB 1.415 31.003 29.700 -0.187 0.000 1.203 1005 E HN 0.744 nan 8.360 nan 0.000 0.459 1006 G N -0.883 107.737 108.800 -0.300 0.000 3.046 1006 G HA2 0.217 4.177 3.960 0.000 0.000 0.137 1006 G HA3 0.217 4.177 3.960 0.000 0.000 0.137 1006 G C -1.133 173.869 174.900 0.171 0.000 1.207 1006 G CA -0.177 44.954 45.100 0.050 0.000 1.218 1006 G HN 0.629 nan 8.290 nan 0.000 0.625 1007 Y N 1.271 121.701 120.300 0.217 0.000 3.038 1007 Y HA -0.192 4.358 4.550 0.000 0.000 0.140 1007 Y C 0.010 176.112 175.900 0.337 0.000 2.014 1007 Y CA 0.180 58.390 58.100 0.183 0.000 1.080 1007 Y CB -1.675 36.805 38.460 0.033 0.000 1.603 1007 Y HN 0.715 nan 8.280 nan 0.000 0.364 1008 Q N -0.346 119.701 119.800 0.411 0.000 2.422 1008 Q HA -0.184 4.156 4.340 0.000 0.000 0.313 1008 Q C -0.900 175.139 176.000 0.064 0.000 1.308 1008 Q CA 0.609 56.537 55.803 0.209 0.000 0.841 1008 Q CB -0.299 28.541 28.738 0.171 0.000 0.948 1008 Q HN 0.391 nan 8.270 nan 0.000 0.307 1009 L N 2.751 123.730 121.223 -0.407 0.000 2.276 1009 L HA 0.165 4.505 4.340 0.000 0.000 0.286 1009 L C 0.864 177.473 176.870 -0.435 0.000 1.061 1009 L CA 0.656 54.911 54.840 -0.975 0.000 0.807 1009 L CB 1.211 42.495 42.059 -1.291 0.000 1.177 1009 L HN 0.501 nan 8.230 nan 0.000 0.429 1010 Q N 2.474 122.088 119.800 -0.310 0.000 2.548 1010 Q HA 0.241 4.581 4.340 0.000 0.000 0.230 1010 Q C -0.151 175.783 176.000 -0.111 0.000 0.899 1010 Q CA 0.496 56.206 55.803 -0.155 0.000 0.936 1010 Q CB 0.632 29.325 28.738 -0.074 0.000 1.114 1010 Q HN 0.664 nan 8.270 nan 0.000 0.606 1011 Q N 0.689 120.436 119.800 -0.089 0.000 2.353 1011 Q HA 0.540 4.880 4.340 0.000 0.000 0.268 1011 Q C -1.535 174.474 176.000 0.015 0.000 1.045 1011 Q CA -0.427 55.364 55.803 -0.020 0.000 0.811 1011 Q CB 2.703 31.445 28.738 0.007 0.000 1.305 1011 Q HN -0.051 nan 8.270 nan 0.000 0.447 1012 V N 4.489 124.449 119.914 0.077 0.000 2.577 1012 V HA 0.516 4.636 4.120 0.000 0.000 0.303 1012 V C -0.921 175.294 176.094 0.201 0.000 1.042 1012 V CA -0.695 61.700 62.300 0.158 0.000 0.872 1012 V CB 2.073 34.015 31.823 0.197 0.000 0.998 1012 V HN 0.674 nan 8.190 nan 0.000 0.423 1013 L N 7.015 128.385 121.223 0.246 0.000 2.406 1013 L HA 0.763 5.103 4.340 0.000 0.000 0.272 1013 L C -0.541 176.511 176.870 0.302 0.000 0.980 1013 L CA -0.440 54.554 54.840 0.257 0.000 0.831 1013 L CB 1.553 43.749 42.059 0.229 0.000 1.253 1013 L HN 0.796 nan 8.230 nan 0.000 0.406 1014 M N 3.943 123.667 119.600 0.206 0.000 2.243 1014 M HA 0.503 4.983 4.480 0.000 0.000 0.324 1014 M C -0.837 175.501 176.300 0.063 0.000 1.031 1014 M CA -0.820 54.554 55.300 0.122 0.000 0.949 1014 M CB 1.874 34.489 32.600 0.024 0.000 1.615 1014 M HN 0.620 nan 8.290 nan 0.000 0.430 1015 M N 3.586 123.222 119.600 0.060 0.000 2.206 1015 M HA 0.385 4.865 4.480 0.000 0.000 0.353 1015 M C -0.813 175.426 176.300 -0.102 0.000 1.242 1015 M CA 0.060 55.367 55.300 0.011 0.000 1.179 1015 M CB 0.590 33.236 32.600 0.077 0.000 1.374 1015 M HN 0.828 nan 8.290 nan 0.000 0.427 1016 S N 4.383 120.001 115.700 -0.138 0.000 2.654 1016 S HA 0.696 5.166 4.470 0.000 0.000 0.283 1016 S C -0.404 174.090 174.600 -0.177 0.000 1.180 1016 S CA -0.865 57.228 58.200 -0.178 0.000 1.021 1016 S CB 0.966 64.014 63.200 -0.254 0.000 1.018 1016 S HN 0.843 nan 8.310 nan 0.000 0.532 1017 R N 1.535 121.951 120.500 -0.140 0.000 2.720 1017 R HA 0.706 5.046 4.340 0.000 0.000 0.272 1017 R C -0.084 176.131 176.300 -0.141 0.000 0.991 1017 R CA -0.650 55.367 56.100 -0.138 0.000 1.010 1017 R CB 1.086 31.354 30.300 -0.054 0.000 1.141 1017 R HN 0.749 nan 8.270 nan 0.000 0.494 1018 A N 2.384 125.107 122.820 -0.161 0.000 2.448 1018 A HA 0.041 4.361 4.320 0.000 0.000 0.239 1018 A C -0.055 177.496 177.584 -0.056 0.000 1.080 1018 A CA 0.005 51.973 52.037 -0.116 0.000 0.779 1018 A CB 0.064 19.005 19.000 -0.098 0.000 1.026 1018 A HN 0.930 nan 8.150 nan 0.000 0.499 1019 N N -0.846 117.833 118.700 -0.035 0.000 2.431 1019 N HA 0.363 5.103 4.740 0.000 0.000 0.289 1019 N C 0.025 175.524 175.510 -0.020 0.000 1.277 1019 N CA -0.711 52.319 53.050 -0.034 0.000 0.972 1019 N CB 0.251 38.714 38.487 -0.041 0.000 1.143 1019 N HN 0.661 nan 8.380 nan 0.000 0.578 1020 L N 1.318 122.527 121.223 -0.022 0.000 2.706 1020 L HA -0.063 4.277 4.340 0.000 0.000 0.282 1020 L C 0.115 177.007 176.870 0.036 0.000 1.219 1020 L CA 0.532 55.395 54.840 0.037 0.000 0.935 1020 L CB -0.178 41.910 42.059 0.048 0.000 1.204 1020 L HN 0.660 nan 8.230 nan 0.000 0.491 1021 R N 4.517 125.024 120.500 0.012 0.000 2.888 1021 R HA 0.849 5.189 4.340 0.000 0.000 0.264 1021 R C -1.071 175.082 176.300 -0.244 0.000 1.045 1021 R CA -0.835 55.230 56.100 -0.057 0.000 0.962 1021 R CB 1.248 31.507 30.300 -0.069 0.000 1.210 1021 R HN 0.526 nan 8.270 nan 0.000 0.479 1022 A N 1.888 124.482 122.820 -0.376 0.000 2.340 1022 A HA 0.447 4.767 4.320 0.000 0.000 0.268 1022 A C -2.117 175.029 177.584 -0.731 0.000 1.100 1022 A CA -1.904 49.562 52.037 -0.953 0.000 0.803 1022 A CB -0.086 18.537 19.000 -0.629 0.000 1.043 1022 A HN 0.623 nan 8.150 nan 0.000 0.488 1023 P HA -0.012 nan 4.420 nan 0.000 0.263 1023 P C -0.401 176.687 177.300 -0.353 0.000 1.175 1023 P CA -0.090 62.716 63.100 -0.490 0.000 0.761 1023 P CB 0.151 31.582 31.700 -0.448 0.000 0.794 1024 L N 2.917 123.989 121.223 -0.252 0.000 2.593 1024 L HA -0.097 4.243 4.340 0.000 0.000 0.287 1024 L C 2.005 178.770 176.870 -0.176 0.000 1.243 1024 L CA 0.771 55.501 54.840 -0.185 0.000 0.890 1024 L CB -1.059 40.913 42.059 -0.145 0.000 1.134 1024 L HN 0.526 nan 8.230 nan 0.000 0.502 1025 A N 3.555 126.295 122.820 -0.134 0.000 1.930 1025 A HA -0.162 4.158 4.320 0.000 0.000 0.217 1025 A C 1.815 179.342 177.584 -0.095 0.000 1.175 1025 A CA 1.454 53.427 52.037 -0.107 0.000 0.627 1025 A CB -0.490 18.467 19.000 -0.072 0.000 0.815 1025 A HN 0.846 nan 8.150 nan 0.000 0.443 1026 N N 0.776 119.425 118.700 -0.084 0.000 2.519 1026 N HA -0.088 4.652 4.740 0.000 0.000 0.186 1026 N C 0.746 176.207 175.510 -0.082 0.000 1.062 1026 N CA 0.991 54.001 53.050 -0.066 0.000 0.910 1026 N CB -0.170 38.287 38.487 -0.050 0.000 0.958 1026 N HN 0.481 nan 8.380 nan 0.000 0.445 1027 N N -1.033 117.593 118.700 -0.122 0.000 2.299 1027 N HA 0.094 4.834 4.740 0.000 0.000 0.187 1027 N C 1.656 177.062 175.510 -0.174 0.000 1.099 1027 N CA 0.281 53.241 53.050 -0.151 0.000 0.867 1027 N CB -0.116 38.248 38.487 -0.204 0.000 0.974 1027 N HN 0.196 nan 8.380 nan 0.000 0.477 1028 G N 1.337 110.043 108.800 -0.156 0.000 2.505 1028 G HA2 -0.324 3.636 3.960 0.000 0.000 0.220 1028 G HA3 -0.324 3.636 3.960 0.000 0.000 0.220 1028 G C 1.709 176.549 174.900 -0.100 0.000 1.145 1028 G CA 1.657 46.666 45.100 -0.151 0.000 0.761 1028 G HN 0.490 nan 8.290 nan 0.000 0.571 1029 S N 0.154 115.818 115.700 -0.060 0.000 2.355 1029 S HA -0.087 4.383 4.470 0.000 0.000 0.222 1029 S C 2.304 176.897 174.600 -0.011 0.000 1.031 1029 S CA 1.459 59.647 58.200 -0.020 0.000 0.993 1029 S CB -0.585 62.608 63.200 -0.012 0.000 0.859 1029 S HN 0.135 nan 8.310 nan 0.000 0.453 1030 V N 2.397 122.289 119.914 -0.037 0.000 2.295 1030 V HA -0.122 3.998 4.120 0.000 0.000 0.246 1030 V C 2.695 178.791 176.094 0.002 0.000 1.049 1030 V CA 1.444 63.733 62.300 -0.018 0.000 1.024 1030 V CB -0.916 30.876 31.823 -0.052 0.000 0.648 1030 V HN 0.398 nan 8.190 nan 0.000 0.447 1031 L N 0.067 121.227 121.223 -0.105 0.000 1.989 1031 L HA -0.183 4.157 4.340 0.000 0.000 0.211 1031 L C 2.675 179.682 176.870 0.228 0.000 1.071 1031 L CA 2.224 56.984 54.840 -0.133 0.000 0.749 1031 L CB -1.505 40.074 42.059 -0.800 0.000 0.890 1031 L HN 0.475 nan 8.230 nan 0.000 0.431 1032 E N -0.264 120.023 120.200 0.145 0.000 2.153 1032 E HA -0.216 4.134 4.350 0.000 0.000 0.194 1032 E C 1.916 178.640 176.600 0.207 0.000 0.988 1032 E CA 0.983 57.540 56.400 0.261 0.000 0.811 1032 E CB 0.205 30.000 29.700 0.157 0.000 0.746 1032 E HN 0.479 nan 8.360 nan 0.000 0.466 1033 Q N -0.233 119.655 119.800 0.146 0.000 2.389 1033 Q HA 0.059 4.399 4.340 0.000 0.000 0.204 1033 Q C 1.699 177.795 176.000 0.159 0.000 0.944 1033 Q CA 0.537 56.410 55.803 0.117 0.000 0.908 1033 Q CB 0.348 29.135 28.738 0.081 0.000 1.002 1033 Q HN 0.112 nan 8.270 nan 0.000 0.493 1034 S N -0.089 115.755 115.700 0.240 0.000 2.575 1034 S HA 0.080 4.550 4.470 0.000 0.000 0.215 1034 S C 0.551 175.361 174.600 0.351 0.000 0.966 1034 S CA 0.056 58.465 58.200 0.347 0.000 0.911 1034 S CB 0.505 63.896 63.200 0.319 0.000 0.780 1034 S HN 0.208 nan 8.310 nan 0.000 0.514 1035 T N 1.432 116.137 114.554 0.251 0.000 2.957 1035 T HA 0.283 4.633 4.350 0.000 0.000 0.336 1035 T C -2.749 171.965 174.700 0.024 0.000 1.462 1035 T CA -1.172 61.002 62.100 0.123 0.000 1.073 1035 T CB 1.830 70.769 68.868 0.119 0.000 1.319 1035 T HN -0.229 nan 8.240 nan 0.000 0.485 1036 P HA 0.110 nan 4.420 nan 0.000 0.241 1036 P C 0.016 177.212 177.300 -0.175 0.000 1.191 1036 P CA 0.036 63.071 63.100 -0.109 0.000 0.771 1036 P CB 0.163 31.784 31.700 -0.132 0.000 0.929 1037 N N 1.376 119.873 118.700 -0.338 0.000 2.467 1037 N HA 0.118 4.858 4.740 0.000 0.000 0.262 1037 N C 0.423 175.797 175.510 -0.228 0.000 1.234 1037 N CA 0.031 52.767 53.050 -0.524 0.000 0.952 1037 N CB 0.722 38.350 38.487 -1.431 0.000 1.158 1037 N HN 0.008 nan 8.380 nan 0.000 0.463 1038 K N 0.779 121.113 120.400 -0.110 0.000 2.130 1038 K HA 0.300 4.620 4.320 0.000 0.000 0.268 1038 K C -0.385 176.324 176.600 0.181 0.000 0.983 1038 K CA -0.317 56.030 56.287 0.100 0.000 0.893 1038 K CB 0.877 33.438 32.500 0.102 0.000 1.066 1038 K HN 0.443 nan 8.250 nan 0.000 0.450 1039 W N 3.332 124.840 121.300 0.347 0.000 2.438 1039 W HA 0.307 4.967 4.660 -0.000 0.000 0.324 1039 W C -1.470 175.179 176.519 0.216 0.000 1.119 1039 W CA -1.417 56.128 57.345 0.332 0.000 1.221 1039 W CB 0.162 29.808 29.460 0.310 0.000 1.253 1039 W HN 0.403 nan 8.180 nan 0.000 0.555 1040 P HA 0.161 nan 4.420 nan 0.000 0.275 1040 P C -0.641 176.801 177.300 0.238 0.000 1.228 1040 P CA -0.224 62.950 63.100 0.123 0.000 0.786 1040 P CB 1.180 32.780 31.700 -0.167 0.000 0.927 1041 E N 0.781 121.051 120.200 0.116 0.000 2.392 1041 E HA 0.194 4.544 4.350 0.000 0.000 0.256 1041 E C -0.832 175.894 176.600 0.209 0.000 1.145 1041 E CA 0.132 56.664 56.400 0.220 0.000 0.929 1041 E CB 0.428 30.202 29.700 0.123 0.000 0.998 1041 E HN 0.399 nan 8.360 nan 0.000 0.442 1042 W N 0.111 121.518 121.300 0.178 0.000 2.844 1042 W HA 0.222 4.882 4.660 -0.000 0.000 0.340 1042 W C 0.328 176.926 176.519 0.131 0.000 1.093 1042 W CA -0.451 57.023 57.345 0.214 0.000 1.212 1042 W CB 1.194 30.766 29.460 0.186 0.000 1.422 1042 W HN 0.474 nan 8.180 nan 0.000 0.515 1043 D N 0.669 121.256 120.400 0.312 0.000 2.310 1043 D HA -0.055 4.585 4.640 0.000 0.000 0.212 1043 D C 0.638 177.050 176.300 0.186 0.000 0.965 1043 D CA 1.076 55.194 54.000 0.196 0.000 0.879 1043 D CB 0.092 40.980 40.800 0.146 0.000 0.921 1043 D HN 0.072 nan 8.370 nan 0.000 0.510 1044 V N -2.559 117.495 119.914 0.234 0.000 3.046 1044 V HA 0.620 4.740 4.120 0.000 0.000 0.316 1044 V C -2.530 173.644 176.094 0.133 0.000 1.104 1044 V CA -2.012 60.383 62.300 0.157 0.000 1.006 1044 V CB 1.706 33.611 31.823 0.137 0.000 1.058 1044 V HN -0.241 nan 8.190 nan 0.000 0.440 1045 P HA 0.254 nan 4.420 nan 0.000 0.274 1045 P C 0.308 177.597 177.300 -0.019 0.000 1.246 1045 P CA 0.225 63.348 63.100 0.037 0.000 0.795 1045 P CB 0.536 32.252 31.700 0.025 0.000 1.006 1046 G N -0.709 108.055 108.800 -0.060 0.000 2.353 1046 G HA2 0.291 4.251 3.960 0.000 0.000 0.239 1046 G HA3 0.291 4.251 3.960 0.000 0.000 0.239 1046 G C 1.042 175.872 174.900 -0.117 0.000 1.295 1046 G CA 0.324 45.341 45.100 -0.137 0.000 0.884 1046 G HN 0.904 nan 8.290 nan 0.000 0.537 1047 G N 1.027 109.732 108.800 -0.157 0.000 2.176 1047 G HA2 -0.246 3.714 3.960 0.000 0.000 0.253 1047 G HA3 -0.246 3.714 3.960 0.000 0.000 0.253 1047 G C 0.420 175.280 174.900 -0.067 0.000 0.979 1047 G CA 0.677 45.712 45.100 -0.109 0.000 0.641 1047 G HN 0.855 nan 8.290 nan 0.000 0.530 1048 Q N -0.407 119.359 119.800 -0.057 0.000 2.205 1048 Q HA 0.597 4.937 4.340 0.000 0.000 0.249 1048 Q C 1.362 177.365 176.000 0.006 0.000 0.948 1048 Q CA -0.907 54.889 55.803 -0.011 0.000 0.895 1048 Q CB 1.350 30.096 28.738 0.015 0.000 1.249 1048 Q HN 0.073 nan 8.270 nan 0.000 0.458 1049 L N 1.170 122.416 121.223 0.038 0.000 2.043 1049 L HA -0.148 4.192 4.340 0.000 0.000 0.212 1049 L C 0.446 177.357 176.870 0.067 0.000 1.075 1049 L CA 2.761 57.633 54.840 0.054 0.000 0.752 1049 L CB -0.885 41.233 42.059 0.100 0.000 0.891 1049 L HN 1.136 nan 8.230 nan 0.000 0.432 1050 T N -6.026 108.587 114.554 0.098 0.000 0.541 1050 T HA -0.201 4.149 4.350 0.000 0.000 0.774 1050 T C 0.678 175.408 174.700 0.049 0.000 0.992 1050 T CA 0.540 62.712 62.100 0.119 0.000 4.077 1050 T CB -1.215 67.764 68.868 0.184 0.000 2.303 1050 T HN 0.307 nan 8.240 nan 0.000 0.398 1051 T N 1.875 116.454 114.554 0.041 0.000 2.777 1051 T HA -0.069 4.281 4.350 0.000 0.000 0.266 1051 T C 1.969 176.580 174.700 -0.148 0.000 1.040 1051 T CA 1.721 63.803 62.100 -0.029 0.000 1.141 1051 T CB -0.332 68.543 68.868 0.013 0.000 0.868 1051 T HN 0.840 nan 8.240 nan 0.000 0.444 1052 K N 0.769 121.116 120.400 -0.087 0.000 2.103 1052 K HA -0.104 4.216 4.320 0.000 0.000 0.207 1052 K C 2.492 178.985 176.600 -0.178 0.000 1.048 1052 K CA 1.475 57.692 56.287 -0.117 0.000 0.930 1052 K CB -0.583 31.883 32.500 -0.057 0.000 0.716 1052 K HN 0.361 nan 8.250 nan 0.000 0.444 1053 G N -0.115 108.598 108.800 -0.144 0.000 2.442 1053 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 1053 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 1053 G C 1.476 176.154 174.900 -0.369 0.000 1.141 1053 G CA 0.914 45.916 45.100 -0.164 0.000 0.763 1053 G HN 0.492 nan 8.290 nan 0.000 0.554 1054 G N 0.228 108.617 108.800 -0.686 0.000 2.408 1054 G HA2 -0.093 3.867 3.960 0.000 0.000 0.217 1054 G HA3 -0.093 3.867 3.960 0.000 0.000 0.217 1054 G C 1.752 175.938 174.900 -1.189 0.000 1.150 1054 G CA 1.052 45.053 45.100 -1.831 0.000 0.776 1054 G HN 0.312 nan 8.290 nan 0.000 0.542 1055 V N 0.959 120.458 119.914 -0.692 0.000 2.343 1055 V HA -0.113 4.007 4.120 0.000 0.000 0.247 1055 V C 2.894 178.664 176.094 -0.541 0.000 1.051 1055 V CA 1.467 63.433 62.300 -0.557 0.000 1.036 1055 V CB -0.345 31.244 31.823 -0.391 0.000 0.654 1055 V HN 0.347 nan 8.190 nan 0.000 0.451 1056 L N -0.306 120.742 121.223 -0.292 0.000 2.141 1056 L HA -0.126 4.214 4.340 0.000 0.000 0.209 1056 L C 2.522 179.375 176.870 -0.028 0.000 1.094 1056 L CA 1.338 56.136 54.840 -0.071 0.000 0.763 1056 L CB -0.474 41.551 42.059 -0.056 0.000 0.908 1056 L HN 0.328 nan 8.230 nan 0.000 0.437 1057 E N 0.118 120.257 120.200 -0.101 0.000 2.152 1057 E HA -0.117 4.233 4.350 0.000 0.000 0.192 1057 E C 2.099 178.760 176.600 0.102 0.000 0.983 1057 E CA 0.759 57.195 56.400 0.060 0.000 0.818 1057 E CB -0.002 29.753 29.700 0.091 0.000 0.758 1057 E HN 0.162 nan 8.360 nan 0.000 0.467 1058 V N 0.176 120.057 119.914 -0.054 0.000 2.427 1058 V HA -0.236 3.884 4.120 0.000 0.000 0.248 1058 V C 1.765 177.882 176.094 0.038 0.000 1.051 1058 V CA 1.784 64.055 62.300 -0.048 0.000 1.048 1058 V CB -0.591 31.122 31.823 -0.183 0.000 0.666 1058 V HN 0.405 nan 8.190 nan 0.000 0.456 1059 Y N -1.586 118.729 120.300 0.025 0.000 2.200 1059 Y HA -0.291 4.259 4.550 0.000 0.000 0.290 1059 Y C 2.550 178.516 175.900 0.110 0.000 1.137 1059 Y CA 1.440 59.577 58.100 0.060 0.000 1.163 1059 Y CB -0.183 38.285 38.460 0.014 0.000 0.988 1059 Y HN 0.241 nan 8.280 nan 0.000 0.518 1060 M N 0.364 120.131 119.600 0.278 0.000 2.117 1060 M HA -0.092 4.388 4.480 0.000 0.000 0.262 1060 M C 2.192 178.681 176.300 0.314 0.000 1.065 1060 M CA 1.974 57.447 55.300 0.288 0.000 1.114 1060 M CB -0.859 31.915 32.600 0.291 0.000 1.361 1060 M HN 0.157 nan 8.290 nan 0.000 0.408 1061 G N -1.769 107.094 108.800 0.104 0.000 2.422 1061 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 1061 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 1061 G C 1.628 176.371 174.900 -0.262 0.000 1.140 1061 G CA 0.972 45.772 45.100 -0.501 0.000 0.775 1061 G HN 0.673 nan 8.290 nan 0.000 0.545 1062 H N -1.232 117.776 119.070 -0.104 0.000 2.363 1062 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 1062 H C 2.151 177.474 175.328 -0.007 0.000 1.074 1062 H CA 1.116 57.120 56.048 -0.073 0.000 1.354 1062 H CB 0.034 29.817 29.762 0.034 0.000 1.397 1062 H HN 0.407 nan 8.280 nan 0.000 0.516 1063 Y N 0.806 121.064 120.300 -0.070 0.000 2.181 1063 Y HA -0.229 4.321 4.550 0.000 0.000 0.288 1063 Y C 2.382 178.277 175.900 -0.007 0.000 1.146 1063 Y CA 1.531 59.579 58.100 -0.086 0.000 1.164 1063 Y CB -0.146 38.308 38.460 -0.009 0.000 0.982 1063 Y HN 0.142 nan 8.280 nan 0.000 0.515 1064 M N 0.117 119.726 119.600 0.015 0.000 2.213 1064 M HA -0.135 4.345 4.480 0.000 0.000 0.263 1064 M C 2.196 178.476 176.300 -0.032 0.000 1.062 1064 M CA 1.440 56.792 55.300 0.086 0.000 1.105 1064 M CB -1.059 31.757 32.600 0.361 0.000 1.385 1064 M HN 0.265 nan 8.290 nan 0.000 0.417 1065 R N 0.927 121.284 120.500 -0.237 0.000 2.062 1065 R HA -0.071 4.269 4.340 0.000 0.000 0.231 1065 R C 1.897 178.049 176.300 -0.247 0.000 1.136 1065 R CA 1.792 57.695 56.100 -0.328 0.000 0.948 1065 R CB -0.601 29.435 30.300 -0.441 0.000 0.845 1065 R HN 0.436 nan 8.270 nan 0.000 0.430 1066 E N -1.047 118.961 120.200 -0.319 0.000 2.049 1066 E HA -0.250 4.100 4.350 0.000 0.000 0.198 1066 E C 1.697 178.181 176.600 -0.193 0.000 1.007 1066 E CA 1.540 57.780 56.400 -0.268 0.000 0.809 1066 E CB -0.474 29.030 29.700 -0.327 0.000 0.749 1066 E HN 0.432 nan 8.360 nan 0.000 0.450 1067 W N 1.284 122.334 121.300 -0.417 0.000 2.335 1067 W HA -0.225 4.435 4.660 0.000 0.000 0.311 1067 W C 1.906 178.333 176.519 -0.154 0.000 1.213 1067 W CA 1.121 58.275 57.345 -0.319 0.000 1.274 1067 W CB -0.424 28.759 29.460 -0.462 0.000 1.148 1067 W HN 0.032 nan 8.180 nan 0.000 0.498 1068 L N 0.972 122.031 121.223 -0.274 0.000 2.083 1068 L HA -0.108 4.232 4.340 0.000 0.000 0.209 1068 L C 2.622 179.298 176.870 -0.323 0.000 1.083 1068 L CA 2.390 56.999 54.840 -0.385 0.000 0.752 1068 L CB -1.567 40.460 42.059 -0.054 0.000 0.899 1068 L HN 0.132 nan 8.230 nan 0.000 0.433 1069 A N -1.539 121.152 122.820 -0.215 0.000 1.930 1069 A HA -0.174 4.146 4.320 0.000 0.000 0.215 1069 A C 2.269 179.751 177.584 -0.170 0.000 1.176 1069 A CA 1.128 53.076 52.037 -0.148 0.000 0.632 1069 A CB -0.492 18.450 19.000 -0.096 0.000 0.819 1069 A HN 0.447 nan 8.150 nan 0.000 0.445 1070 E N -0.656 119.419 120.200 -0.208 0.000 2.331 1070 E HA -0.225 4.125 4.350 0.000 0.000 0.199 1070 E C 1.028 177.519 176.600 -0.181 0.000 1.008 1070 E CA 1.030 57.334 56.400 -0.161 0.000 0.843 1070 E CB 0.058 29.677 29.700 -0.134 0.000 0.761 1070 E HN 0.529 nan 8.360 nan 0.000 0.507 1071 Q N -1.279 118.333 119.800 -0.312 0.000 2.247 1071 Q HA 0.194 4.534 4.340 0.000 0.000 0.204 1071 Q C 0.702 176.575 176.000 -0.211 0.000 0.872 1071 Q CA 0.604 56.236 55.803 -0.286 0.000 0.951 1071 Q CB 1.010 29.418 28.738 -0.549 0.000 1.099 1071 Q HN 0.384 nan 8.270 nan 0.000 0.501 1072 G N 0.349 109.051 108.800 -0.162 0.000 2.166 1072 G HA2 -0.327 3.633 3.960 0.000 0.000 0.260 1072 G HA3 -0.327 3.633 3.960 0.000 0.000 0.260 1072 G C 0.903 175.731 174.900 -0.120 0.000 0.986 1072 G CA 0.764 45.798 45.100 -0.110 0.000 0.683 1072 G HN 0.298 nan 8.290 nan 0.000 0.527 1073 M N -0.893 118.605 119.600 -0.170 0.000 2.476 1073 M HA 0.296 4.776 4.480 0.000 0.000 0.262 1073 M C 0.868 177.133 176.300 -0.059 0.000 1.079 1073 M CA 1.030 56.246 55.300 -0.140 0.000 1.104 1073 M CB 0.021 32.502 32.600 -0.199 0.000 1.409 1073 M HN 0.224 nan 8.290 nan 0.000 0.467 1074 V N -0.411 119.478 119.914 -0.042 0.000 3.167 1074 V HA 0.242 4.362 4.120 0.000 0.000 0.293 1074 V C -1.020 175.079 176.094 0.009 0.000 1.379 1074 V CA -1.269 61.047 62.300 0.026 0.000 1.019 1074 V CB 3.109 35.024 31.823 0.153 0.000 1.115 1074 V HN 0.094 nan 8.190 nan 0.000 0.442 1075 K N 1.333 121.750 120.400 0.027 0.000 2.154 1075 K HA 0.429 4.750 4.320 0.000 0.000 0.264 1075 K C 0.862 177.474 176.600 0.021 0.000 1.008 1075 K CA 0.560 56.854 56.287 0.012 0.000 0.937 1075 K CB 1.432 33.939 32.500 0.013 0.000 1.002 1075 K HN 0.608 nan 8.250 nan 0.000 0.469 1076 S N 1.086 116.787 115.700 0.001 0.000 2.555 1076 S HA 0.099 4.569 4.470 0.000 0.000 0.230 1076 S C 0.672 175.282 174.600 0.016 0.000 0.978 1076 S CA 0.583 58.783 58.200 -0.001 0.000 0.934 1076 S CB 0.160 63.354 63.200 -0.011 0.000 0.766 1076 S HN 0.747 nan 8.310 nan 0.000 0.533 1077 G N 1.707 110.521 108.800 0.023 0.000 4.677 1077 G HA2 0.472 4.432 3.960 0.000 0.000 0.225 1077 G HA3 0.472 4.432 3.960 0.000 0.000 0.225 1077 G C -0.080 174.836 174.900 0.027 0.000 0.876 1077 G CA -0.500 44.615 45.100 0.026 0.000 0.652 1077 G HN 0.390 nan 8.290 nan 0.000 0.481 1078 E N -1.545 118.679 120.200 0.039 0.000 2.436 1078 E HA 0.173 4.523 4.350 0.000 0.000 0.167 1078 E C 0.067 176.687 176.600 0.033 0.000 0.898 1078 E CA -0.153 56.264 56.400 0.029 0.000 1.354 1078 E CB -0.130 29.579 29.700 0.015 0.000 1.442 1078 E HN 0.502 nan 8.360 nan 0.000 0.671 1079 c N 2.376 121.015 118.600 0.065 0.000 1.042 1079 c HA -0.084 4.486 4.570 0.000 0.000 0.168 1079 c C -2.236 171.854 174.090 0.001 0.000 0.436 1079 c CA -0.470 55.892 56.329 0.054 0.000 2.417 1079 c CB -0.939 41.582 42.510 0.017 0.000 2.598 1079 c HN 0.526 nan 8.230 nan 0.000 0.793 1080 P HA 0.300 nan 4.420 nan 0.000 0.271 1080 P C -1.915 175.324 177.300 -0.103 0.000 1.218 1080 P CA -0.488 62.566 63.100 -0.078 0.000 0.780 1080 P CB 0.041 31.656 31.700 -0.142 0.000 0.901 1081 P HA -0.059 nan 4.420 nan 0.000 0.268 1081 P C -1.820 175.411 177.300 -0.117 0.000 1.189 1081 P CA -0.560 62.497 63.100 -0.072 0.000 0.771 1081 P CB -0.931 30.750 31.700 -0.032 0.000 0.822 1082 P HA -0.212 nan 4.420 nan 0.000 0.227 1082 P C 0.409 177.395 177.300 -0.523 0.000 1.141 1082 P CA 2.113 64.966 63.100 -0.410 0.000 0.964 1082 P CB -0.382 31.028 31.700 -0.482 0.000 0.784 1083 Y N -3.218 117.076 120.300 -0.009 0.000 2.734 1083 Y HA 0.221 4.771 4.550 -0.000 0.000 0.278 1083 Y C 1.724 177.632 175.900 0.013 0.000 1.108 1083 Y CA -0.036 58.077 58.100 0.022 0.000 1.211 1083 Y CB -0.834 37.645 38.460 0.031 0.000 1.182 1083 Y HN -0.135 nan 8.280 nan 0.000 0.547 1084 T N -0.798 113.785 114.554 0.049 0.000 2.788 1084 T HA -0.044 4.306 4.350 0.000 0.000 0.268 1084 T C 0.648 175.358 174.700 0.017 0.000 1.044 1084 T CA 1.060 63.162 62.100 0.004 0.000 1.139 1084 T CB -0.122 68.689 68.868 -0.095 0.000 0.867 1084 T HN -0.044 nan 8.240 nan 0.000 0.454 1085 V N 1.111 121.018 119.914 -0.012 0.000 2.407 1085 V HA 0.411 4.531 4.120 0.000 0.000 0.291 1085 V C -1.264 174.939 176.094 0.181 0.000 1.018 1085 V CA -1.382 60.947 62.300 0.047 0.000 0.842 1085 V CB 1.211 32.954 31.823 -0.132 0.000 0.996 1085 V HN 0.327 nan 8.190 nan 0.000 0.426 1086 Y N 4.045 124.443 120.300 0.163 0.000 2.342 1086 Y HA 0.714 5.264 4.550 -0.000 0.000 0.338 1086 Y C 0.271 176.339 175.900 0.280 0.000 0.965 1086 Y CA -0.517 57.722 58.100 0.233 0.000 1.159 1086 Y CB 1.219 39.784 38.460 0.174 0.000 1.157 1086 Y HN 0.744 nan 8.280 nan 0.000 0.486 1087 A N 6.785 129.505 122.820 -0.166 0.000 2.287 1087 A HA 0.381 4.701 4.320 0.000 0.000 0.317 1087 A C -1.177 176.401 177.584 -0.010 0.000 1.220 1087 A CA -0.487 51.546 52.037 -0.005 0.000 0.835 1087 A CB 0.283 19.311 19.000 0.046 0.000 1.180 1087 A HN 0.884 nan 8.150 nan 0.000 0.500 1088 Y N 3.164 123.466 120.300 0.004 0.000 2.612 1088 Y HA 0.569 5.119 4.550 0.000 0.000 0.221 1088 Y C 0.879 176.839 175.900 0.101 0.000 0.991 1088 Y CA 0.054 58.241 58.100 0.145 0.000 1.165 1088 Y CB -0.474 38.200 38.460 0.356 0.000 1.043 1088 Y HN 1.693 nan 8.280 nan 0.000 0.474 1089 A N 1.599 124.340 122.820 -0.132 0.000 2.435 1089 A HA -0.111 4.209 4.320 0.000 0.000 0.686 1089 A C -0.430 176.765 177.584 -0.648 0.000 0.138 1089 A CA 0.208 51.918 52.037 -0.546 0.000 0.024 1089 A CB -2.133 16.738 19.000 -0.216 0.000 3.974 1089 A HN 0.755 nan 8.150 nan 0.000 0.548 1090 N N 1.263 119.268 118.700 -1.159 0.000 2.441 1090 N HA 0.342 5.082 4.740 0.000 0.000 0.251 1090 N C 1.175 176.584 175.510 -0.169 0.000 1.242 1090 N CA 0.632 53.362 53.050 -0.535 0.000 0.898 1090 N CB 0.617 38.810 38.487 -0.490 0.000 1.100 1090 N HN 1.497 nan 8.380 nan 0.000 0.443 1091 S N 2.466 118.173 115.700 0.012 0.000 3.305 1091 S HA 0.166 4.636 4.470 0.000 0.000 0.248 1091 S C 0.357 174.925 174.600 -0.053 0.000 1.288 1091 S CA -0.389 57.799 58.200 -0.020 0.000 1.249 1091 S CB -1.003 62.246 63.200 0.082 0.000 1.116 1091 S HN 0.396 nan 8.310 nan 0.000 0.465 1092 L N 0.820 122.004 121.223 -0.066 0.000 2.322 1092 L HA 0.434 4.774 4.340 0.000 0.000 0.269 1092 L C 1.592 178.419 176.870 -0.072 0.000 1.012 1092 L CA -0.927 53.892 54.840 -0.036 0.000 0.815 1092 L CB 1.372 43.454 42.059 0.039 0.000 1.295 1092 L HN 0.173 nan 8.230 nan 0.000 0.438 1093 Q N 1.974 121.745 119.800 -0.050 0.000 2.020 1093 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 1093 Q C 1.981 177.962 176.000 -0.031 0.000 0.982 1093 Q CA 2.280 58.054 55.803 -0.047 0.000 0.838 1093 Q CB -0.052 28.672 28.738 -0.024 0.000 0.899 1093 Q HN 0.736 nan 8.270 nan 0.000 0.423 1094 R N -0.861 119.632 120.500 -0.012 0.000 2.105 1094 R HA -0.075 4.265 4.340 0.000 0.000 0.239 1094 R C 2.168 178.445 176.300 -0.038 0.000 1.135 1094 R CA 1.935 58.034 56.100 -0.002 0.000 0.967 1094 R CB -0.880 29.422 30.300 0.004 0.000 0.861 1094 R HN 0.059 nan 8.270 nan 0.000 0.442 1095 T N 0.717 115.216 114.554 -0.092 0.000 2.732 1095 T HA -0.003 4.347 4.350 0.000 0.000 0.261 1095 T C 1.916 176.524 174.700 -0.154 0.000 1.040 1095 T CA 1.363 63.346 62.100 -0.195 0.000 1.145 1095 T CB -0.087 68.582 68.868 -0.332 0.000 0.866 1095 T HN 0.059 nan 8.240 nan 0.000 0.427 1096 V N 1.651 121.483 119.914 -0.136 0.000 2.490 1096 V HA -0.136 3.984 4.120 0.000 0.000 0.250 1096 V C 2.729 178.787 176.094 -0.059 0.000 1.061 1096 V CA 1.554 63.790 62.300 -0.107 0.000 1.064 1096 V CB -1.044 30.672 31.823 -0.177 0.000 0.670 1096 V HN 0.502 nan 8.190 nan 0.000 0.461 1097 A N -0.395 122.405 122.820 -0.033 0.000 1.855 1097 A HA -0.256 4.064 4.320 0.000 0.000 0.215 1097 A C 2.504 180.177 177.584 0.148 0.000 1.191 1097 A CA 2.541 54.592 52.037 0.023 0.000 0.613 1097 A CB -1.132 17.929 19.000 0.102 0.000 0.829 1097 A HN 0.468 nan 8.150 nan 0.000 0.442 1098 T N -0.414 114.233 114.554 0.155 0.000 2.665 1098 T HA -0.133 4.217 4.350 0.000 0.000 0.268 1098 T C 1.966 176.782 174.700 0.194 0.000 1.035 1098 T CA 2.542 64.759 62.100 0.195 0.000 1.151 1098 T CB -0.568 68.330 68.868 0.050 0.000 0.862 1098 T HN 0.606 nan 8.240 nan 0.000 0.438 1099 A N 0.902 123.771 122.820 0.082 0.000 1.865 1099 A HA -0.157 4.163 4.320 0.000 0.000 0.217 1099 A C 2.357 180.033 177.584 0.154 0.000 1.191 1099 A CA 2.064 54.167 52.037 0.110 0.000 0.623 1099 A CB -0.983 18.032 19.000 0.026 0.000 0.826 1099 A HN 0.740 nan 8.150 nan 0.000 0.444 1100 Q N -1.499 118.327 119.800 0.044 0.000 2.112 1100 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 1100 Q C 1.895 177.877 176.000 -0.030 0.000 0.987 1100 Q CA 1.918 57.690 55.803 -0.050 0.000 0.858 1100 Q CB -0.347 28.271 28.738 -0.201 0.000 0.905 1100 Q HN 0.777 nan 8.270 nan 0.000 0.420 1101 F N -0.832 119.153 119.950 0.059 0.000 2.186 1101 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 1101 F C 2.016 177.863 175.800 0.078 0.000 1.090 1101 F CA 0.627 58.653 58.000 0.043 0.000 1.307 1101 F CB -0.128 38.887 39.000 0.025 0.000 1.019 1101 F HN 0.078 nan 8.300 nan 0.000 0.489 1102 F N 0.850 120.918 119.950 0.196 0.000 2.051 1102 F HA -0.234 4.293 4.527 0.000 0.000 0.296 1102 F C 2.210 178.087 175.800 0.128 0.000 1.122 1102 F CA 1.421 59.504 58.000 0.137 0.000 1.201 1102 F CB -0.498 38.570 39.000 0.113 0.000 0.978 1102 F HN -0.211 nan 8.300 nan 0.000 0.472 1103 I N 0.426 121.122 120.570 0.211 0.000 2.208 1103 I HA -0.296 3.874 4.170 0.000 0.000 0.245 1103 I C 2.295 178.451 176.117 0.066 0.000 1.097 1103 I CA 1.919 63.316 61.300 0.163 0.000 1.363 1103 I CB -1.992 36.141 38.000 0.221 0.000 1.051 1103 I HN 0.226 nan 8.210 nan 0.000 0.413 1104 T N 0.538 115.117 114.554 0.041 0.000 2.821 1104 T HA -0.062 4.288 4.350 0.000 0.000 0.267 1104 T C 1.918 176.602 174.700 -0.026 0.000 1.046 1104 T CA 1.321 63.431 62.100 0.016 0.000 1.139 1104 T CB -0.607 68.262 68.868 0.002 0.000 0.871 1104 T HN 0.530 nan 8.240 nan 0.000 0.454 1105 G N 0.735 109.501 108.800 -0.057 0.000 2.421 1105 G HA2 0.092 4.052 3.960 0.000 0.000 0.217 1105 G HA3 0.092 4.052 3.960 0.000 0.000 0.217 1105 G C 1.675 176.456 174.900 -0.199 0.000 1.143 1105 G CA 0.762 45.803 45.100 -0.098 0.000 0.784 1105 G HN 0.573 nan 8.290 nan 0.000 0.541 1106 A N -0.065 122.509 122.820 -0.409 0.000 1.911 1106 A HA 0.499 4.819 4.320 0.000 0.000 0.212 1106 A C 0.723 177.782 177.584 -0.874 0.000 1.189 1106 A CA 0.312 51.910 52.037 -0.732 0.000 0.639 1106 A CB 0.079 18.427 19.000 -1.087 0.000 0.839 1106 A HN 0.249 nan 8.150 nan 0.000 0.449 1107 F N 0.146 120.050 119.950 -0.076 0.000 2.523 1107 F HA 0.333 4.860 4.527 -0.000 0.000 0.322 1107 F C -2.714 173.067 175.800 -0.032 0.000 1.361 1107 F CA -2.434 55.544 58.000 -0.037 0.000 1.151 1107 F CB 0.809 39.792 39.000 -0.028 0.000 1.391 1107 F HN -0.036 nan 8.300 nan 0.000 0.566 1108 P HA 0.067 nan 4.420 nan 0.000 0.258 1108 P C 0.789 178.113 177.300 0.040 0.000 1.187 1108 P CA 0.856 63.972 63.100 0.027 0.000 0.767 1108 P CB 0.378 32.074 31.700 -0.007 0.000 0.770 1109 G N 2.697 111.514 108.800 0.028 0.000 2.333 1109 G HA2 -0.290 3.670 3.960 0.000 0.000 0.296 1109 G HA3 -0.290 3.670 3.960 0.000 0.000 0.296 1109 G C 0.665 175.579 174.900 0.023 0.000 1.059 1109 G CA -0.041 45.069 45.100 0.016 0.000 1.050 1109 G HN 0.582 nan 8.290 nan 0.000 0.508 1110 c N -0.648 117.972 118.600 0.033 0.000 3.188 1110 c HA 0.357 4.927 4.570 0.000 0.000 0.315 1110 c C 0.826 174.898 174.090 -0.030 0.000 1.285 1110 c CA 0.260 56.598 56.329 0.015 0.000 1.729 1110 c CB -0.211 42.330 42.510 0.052 0.000 2.257 1110 c HN 0.753 nan 8.230 nan 0.000 0.645 1111 D N 0.779 121.160 120.400 -0.033 0.000 2.922 1111 D HA -0.110 4.530 4.640 0.000 0.000 0.252 1111 D C -0.723 175.527 176.300 -0.082 0.000 1.070 1111 D CA 0.767 54.732 54.000 -0.058 0.000 0.813 1111 D CB -1.286 39.475 40.800 -0.065 0.000 1.046 1111 D HN 0.454 nan 8.370 nan 0.000 0.429 1112 I N 1.605 122.132 120.570 -0.072 0.000 2.439 1112 I HA 0.312 4.482 4.170 0.000 0.000 0.283 1112 I C -1.712 174.345 176.117 -0.100 0.000 1.023 1112 I CA -1.606 59.641 61.300 -0.087 0.000 1.100 1112 I CB 1.996 39.944 38.000 -0.085 0.000 1.238 1112 I HN -0.131 nan 8.210 nan 0.000 0.445 1113 P HA 0.255 nan 4.420 nan 0.000 0.276 1113 P C -0.825 176.228 177.300 -0.412 0.000 1.252 1113 P CA -0.326 62.593 63.100 -0.302 0.000 0.802 1113 P CB 1.843 33.301 31.700 -0.404 0.000 1.035 1114 V N 2.133 121.827 119.914 -0.366 0.000 2.305 1114 V HA 0.151 4.271 4.120 0.000 0.000 0.275 1114 V C -0.164 175.804 176.094 -0.210 0.000 1.020 1114 V CA -0.582 61.584 62.300 -0.223 0.000 0.811 1114 V CB -0.186 31.612 31.823 -0.043 0.000 1.031 1114 V HN 0.575 nan 8.190 nan 0.000 0.439 1115 H N 4.404 123.431 119.070 -0.072 0.000 2.629 1115 H HA 0.622 5.178 4.556 -0.000 0.000 0.357 1115 H C 0.369 175.810 175.328 0.189 0.000 1.121 1115 H CA -0.158 55.859 56.048 -0.052 0.000 1.406 1115 H CB 0.533 30.232 29.762 -0.104 0.000 1.456 1115 H HN 0.827 nan 8.280 nan 0.000 0.579 1116 H N -0.207 119.047 119.070 0.306 0.000 2.960 1116 H HA 0.228 4.784 4.556 0.000 0.000 0.323 1116 H C -0.964 174.532 175.328 0.280 0.000 1.326 1116 H CA -1.276 54.976 56.048 0.341 0.000 1.124 1116 H CB 1.101 30.971 29.762 0.180 0.000 1.853 1116 H HN 0.769 nan 8.280 nan 0.000 0.536 1117 Q N 0.646 120.731 119.800 0.474 0.000 2.394 1117 Q HA 0.064 4.404 4.340 0.000 0.000 0.248 1117 Q C 0.893 177.083 176.000 0.316 0.000 0.992 1117 Q CA -0.020 55.970 55.803 0.311 0.000 0.888 1117 Q CB 1.441 30.346 28.738 0.279 0.000 1.257 1117 Q HN 0.845 nan 8.270 nan 0.000 0.462 1118 E N 2.351 122.662 120.200 0.186 0.000 2.160 1118 E HA -0.221 4.129 4.350 0.000 0.000 0.195 1118 E C -0.046 176.658 176.600 0.172 0.000 0.991 1118 E CA 1.032 57.530 56.400 0.163 0.000 0.810 1118 E CB 0.105 29.862 29.700 0.095 0.000 0.742 1118 E HN 0.545 nan 8.360 nan 0.000 0.466 1119 K N 0.845 121.335 120.400 0.150 0.000 2.316 1119 K HA 0.167 4.487 4.320 0.000 0.000 0.289 1119 K C -0.839 175.825 176.600 0.106 0.000 1.070 1119 K CA -0.407 55.945 56.287 0.110 0.000 0.928 1119 K CB 0.669 33.222 32.500 0.088 0.000 1.039 1119 K HN 0.012 nan 8.250 nan 0.000 0.480 1120 M N 2.663 122.303 119.600 0.067 0.000 2.472 1120 M HA 0.341 4.821 4.480 0.000 0.000 0.331 1120 M C 0.617 176.919 176.300 0.003 0.000 1.170 1120 M CA 0.698 56.003 55.300 0.008 0.000 1.009 1120 M CB 1.672 34.252 32.600 -0.034 0.000 1.672 1120 M HN 0.807 nan 8.290 nan 0.000 0.453 1121 G N 1.134 109.925 108.800 -0.014 0.000 2.157 1121 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 1121 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 1121 G C 0.157 175.061 174.900 0.006 0.000 0.979 1121 G CA 0.335 45.431 45.100 -0.007 0.000 0.650 1121 G HN 0.941 nan 8.290 nan 0.000 0.529 1122 T N 0.382 114.949 114.554 0.020 0.000 2.906 1122 T HA 0.638 4.988 4.350 0.000 0.000 0.295 1122 T C 0.420 175.149 174.700 0.048 0.000 1.075 1122 T CA -0.706 61.413 62.100 0.030 0.000 1.005 1122 T CB 0.775 69.667 68.868 0.040 0.000 1.136 1122 T HN 0.155 nan 8.240 nan 0.000 0.498 1123 M N 3.380 123.007 119.600 0.046 0.000 2.228 1123 M HA 0.242 4.722 4.480 0.000 0.000 0.351 1123 M C 0.004 176.369 176.300 0.109 0.000 1.233 1123 M CA -0.305 55.039 55.300 0.072 0.000 1.129 1123 M CB 0.330 32.955 32.600 0.041 0.000 1.604 1123 M HN 0.617 nan 8.290 nan 0.000 0.457 1124 D N 6.102 126.606 120.400 0.173 0.000 2.280 1124 D HA 0.241 4.881 4.640 0.000 0.000 0.243 1124 D C -1.598 174.798 176.300 0.159 0.000 1.129 1124 D CA -1.935 52.190 54.000 0.208 0.000 0.848 1124 D CB 1.554 42.555 40.800 0.336 0.000 1.107 1124 D HN 0.256 nan 8.370 nan 0.000 0.471 1125 P HA -0.180 nan 4.420 nan 0.000 0.218 1125 P C 1.178 178.473 177.300 -0.008 0.000 1.146 1125 P CA 1.069 64.194 63.100 0.043 0.000 0.820 1125 P CB 0.235 31.956 31.700 0.036 0.000 0.778 1126 T N -0.613 113.911 114.554 -0.050 0.000 2.746 1126 T HA -0.102 4.248 4.350 0.000 0.000 0.267 1126 T C 1.077 175.491 174.700 -0.478 0.000 1.039 1126 T CA 1.375 63.301 62.100 -0.290 0.000 1.142 1126 T CB -0.608 67.983 68.868 -0.460 0.000 0.866 1126 T HN 0.115 nan 8.240 nan 0.000 0.444 1127 F N 0.861 120.790 119.950 -0.034 0.000 2.664 1127 F HA 0.348 4.875 4.527 -0.000 0.000 0.303 1127 F C 0.867 176.680 175.800 0.021 0.000 1.092 1127 F CA -0.882 57.097 58.000 -0.036 0.000 1.305 1127 F CB -0.364 38.592 39.000 -0.074 0.000 1.054 1127 F HN 0.029 nan 8.300 nan 0.000 0.565 1128 N N 3.392 122.166 118.700 0.124 0.000 2.408 1128 N HA 0.139 4.879 4.740 0.000 0.000 0.257 1128 N C -2.283 173.249 175.510 0.037 0.000 1.064 1128 N CA -1.604 51.489 53.050 0.072 0.000 0.952 1128 N CB 1.040 39.552 38.487 0.043 0.000 1.093 1128 N HN -0.171 nan 8.380 nan 0.000 0.490 1129 P HA 0.046 nan 4.420 nan 0.000 0.220 1129 P C -0.514 176.852 177.300 0.110 0.000 1.806 1129 P CA -0.139 62.986 63.100 0.041 0.000 0.976 1129 P CB -0.116 31.540 31.700 -0.074 0.000 1.952 1130 V N -0.837 119.107 119.914 0.050 0.000 2.732 1130 V HA 0.459 4.579 4.120 0.000 0.000 0.310 1130 V C 0.329 176.426 176.094 0.004 0.000 1.053 1130 V CA -1.295 61.018 62.300 0.022 0.000 0.957 1130 V CB 1.731 33.519 31.823 -0.058 0.000 1.018 1130 V HN -0.074 nan 8.190 nan 0.000 0.452 1131 I N 3.278 123.855 120.570 0.013 0.000 2.587 1131 I HA 0.135 4.305 4.170 0.000 0.000 0.284 1131 I C 1.155 177.202 176.117 -0.118 0.000 1.134 1131 I CA 0.853 62.170 61.300 0.028 0.000 1.410 1131 I CB 0.620 38.707 38.000 0.146 0.000 1.392 1131 I HN 0.989 nan 8.210 nan 0.000 0.545 1132 T N 3.817 118.300 114.554 -0.119 0.000 3.228 1132 T HA 0.092 4.442 4.350 0.000 0.000 0.278 1132 T C -0.135 174.620 174.700 0.091 0.000 1.014 1132 T CA -0.185 61.859 62.100 -0.092 0.000 0.904 1132 T CB -0.411 68.414 68.868 -0.072 0.000 1.110 1132 T HN 0.568 nan 8.240 nan 0.000 0.541 1133 D N 1.792 122.182 120.400 -0.017 0.000 2.389 1133 D HA 0.195 4.835 4.640 0.000 0.000 0.256 1133 D C -0.050 176.239 176.300 -0.018 0.000 1.239 1133 D CA -0.646 53.272 54.000 -0.137 0.000 0.925 1133 D CB 0.977 41.430 40.800 -0.578 0.000 1.145 1133 D HN 0.212 nan 8.370 nan 0.000 0.542 1134 D N 1.836 122.217 120.400 -0.032 0.000 2.652 1134 D HA -0.052 4.588 4.640 0.000 0.000 0.247 1134 D C 0.978 177.240 176.300 -0.064 0.000 1.232 1134 D CA -0.114 53.817 54.000 -0.116 0.000 0.863 1134 D CB 0.189 40.618 40.800 -0.620 0.000 1.023 1134 D HN 0.118 nan 8.370 nan 0.000 0.474 1135 S N -0.429 115.271 115.700 -0.000 0.000 2.493 1135 S HA -0.001 4.469 4.470 0.000 0.000 0.243 1135 S C 1.661 176.312 174.600 0.086 0.000 0.991 1135 S CA 1.239 59.466 58.200 0.046 0.000 0.957 1135 S CB -0.405 62.862 63.200 0.112 0.000 0.756 1135 S HN 0.687 nan 8.310 nan 0.000 0.521 1136 A N 0.220 123.106 122.820 0.109 0.000 1.344 1136 A HA -0.342 3.978 4.320 0.000 0.000 0.222 1136 A C 2.115 179.763 177.584 0.107 0.000 0.364 1136 A CA 2.126 54.218 52.037 0.092 0.000 1.096 1136 A CB -2.464 16.562 19.000 0.044 0.000 1.468 1136 A HN 1.507 nan 8.150 nan 0.000 0.722 1137 A N -1.981 120.895 122.820 0.093 0.000 1.940 1137 A HA 0.129 4.449 4.320 0.000 0.000 0.219 1137 A C 2.005 179.642 177.584 0.088 0.000 1.176 1137 A CA 2.383 54.462 52.037 0.071 0.000 0.631 1137 A CB -0.705 18.331 19.000 0.060 0.000 0.814 1137 A HN 1.741 nan 8.150 nan 0.000 0.446 1138 F N 1.584 121.540 119.950 0.010 0.000 2.102 1138 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 1138 F C 2.401 178.211 175.800 0.017 0.000 1.105 1138 F CA 1.870 59.879 58.000 0.014 0.000 1.239 1138 F CB -0.576 38.440 39.000 0.026 0.000 0.991 1138 F HN 0.184 nan 8.300 nan 0.000 0.474 1139 S N 0.043 115.952 115.700 0.348 0.000 2.441 1139 S HA -0.238 4.232 4.470 0.000 0.000 0.242 1139 S C 1.718 176.326 174.600 0.013 0.000 1.018 1139 S CA 1.714 60.049 58.200 0.224 0.000 0.988 1139 S CB -0.472 62.849 63.200 0.201 0.000 0.778 1139 S HN 0.607 nan 8.310 nan 0.000 0.498 1140 E N 0.602 120.780 120.200 -0.035 0.000 2.132 1140 E HA 0.007 4.357 4.350 0.000 0.000 0.193 1140 E C 2.237 178.749 176.600 -0.148 0.000 0.951 1140 E CA 0.280 56.642 56.400 -0.064 0.000 0.843 1140 E CB -0.112 29.572 29.700 -0.027 0.000 0.807 1140 E HN 0.487 nan 8.360 nan 0.000 0.467 1141 Q N 0.807 120.479 119.800 -0.213 0.000 2.181 1141 Q HA -0.172 4.168 4.340 0.000 0.000 0.205 1141 Q C 2.106 177.889 176.000 -0.362 0.000 0.980 1141 Q CA 1.569 57.214 55.803 -0.263 0.000 0.862 1141 Q CB -0.169 28.403 28.738 -0.278 0.000 0.905 1141 Q HN 0.202 nan 8.270 nan 0.000 0.429 1142 A N 0.256 122.757 122.820 -0.532 0.000 1.854 1142 A HA -0.122 4.198 4.320 0.000 0.000 0.214 1142 A C 2.347 179.751 177.584 -0.300 0.000 1.192 1142 A CA 1.205 52.956 52.037 -0.477 0.000 0.611 1142 A CB -0.861 17.826 19.000 -0.521 0.000 0.832 1142 A HN 0.197 nan 8.150 nan 0.000 0.442 1143 V N 0.179 119.967 119.914 -0.210 0.000 2.278 1143 V HA -0.363 3.757 4.120 0.000 0.000 0.251 1143 V C 3.055 179.040 176.094 -0.183 0.000 1.062 1143 V CA 2.363 64.582 62.300 -0.136 0.000 1.038 1143 V CB -1.295 30.507 31.823 -0.034 0.000 0.646 1143 V HN 0.640 nan 8.190 nan 0.000 0.447 1144 A N -0.449 122.275 122.820 -0.161 0.000 1.898 1144 A HA -0.064 4.256 4.320 0.000 0.000 0.216 1144 A C 2.389 179.858 177.584 -0.192 0.000 1.181 1144 A CA 2.022 53.974 52.037 -0.141 0.000 0.620 1144 A CB -0.739 18.196 19.000 -0.109 0.000 0.819 1144 A HN 0.616 nan 8.150 nan 0.000 0.442 1145 A N -0.573 122.111 122.820 -0.227 0.000 1.969 1145 A HA -0.055 4.265 4.320 0.000 0.000 0.218 1145 A C 2.220 179.619 177.584 -0.309 0.000 1.169 1145 A CA 1.627 53.529 52.037 -0.224 0.000 0.635 1145 A CB -0.530 18.344 19.000 -0.210 0.000 0.810 1145 A HN 0.546 nan 8.150 nan 0.000 0.445 1146 M N -0.658 118.666 119.600 -0.459 0.000 2.086 1146 M HA -0.180 4.300 4.480 0.000 0.000 0.261 1146 M C 2.013 177.781 176.300 -0.887 0.000 1.067 1146 M CA 1.835 56.659 55.300 -0.794 0.000 1.116 1146 M CB -0.601 31.290 32.600 -1.182 0.000 1.348 1146 M HN 0.470 nan 8.290 nan 0.000 0.407 1147 E N 0.556 120.358 120.200 -0.664 0.000 2.085 1147 E HA -0.238 4.112 4.350 0.000 0.000 0.194 1147 E C 1.965 178.488 176.600 -0.129 0.000 0.994 1147 E CA 1.193 57.452 56.400 -0.235 0.000 0.801 1147 E CB -0.304 29.385 29.700 -0.018 0.000 0.743 1147 E HN 0.440 nan 8.360 nan 0.000 0.453 1148 K N 1.070 121.380 120.400 -0.151 0.000 2.280 1148 K HA -0.216 4.104 4.320 0.000 0.000 0.202 1148 K C 1.903 178.446 176.600 -0.094 0.000 1.047 1148 K CA 1.188 57.417 56.287 -0.096 0.000 0.942 1148 K CB 0.154 32.596 32.500 -0.096 0.000 0.739 1148 K HN -0.083 nan 8.250 nan 0.000 0.457 1149 E N 0.901 121.012 120.200 -0.147 0.000 2.076 1149 E HA -0.064 4.286 4.350 0.000 0.000 0.190 1149 E C 1.792 178.354 176.600 -0.063 0.000 0.979 1149 E CA 0.658 56.988 56.400 -0.117 0.000 0.807 1149 E CB -0.126 29.469 29.700 -0.175 0.000 0.761 1149 E HN 0.260 nan 8.360 nan 0.000 0.454 1150 L N 0.660 121.856 121.223 -0.045 0.000 2.131 1150 L HA -0.158 4.182 4.340 0.000 0.000 0.210 1150 L C 2.081 178.979 176.870 0.045 0.000 1.092 1150 L CA 1.746 56.621 54.840 0.058 0.000 0.759 1150 L CB -0.466 41.719 42.059 0.209 0.000 0.903 1150 L HN 0.289 nan 8.230 nan 0.000 0.435 1151 S N -1.251 114.462 115.700 0.021 0.000 2.507 1151 S HA -0.107 4.363 4.470 0.000 0.000 0.235 1151 S C 1.686 176.290 174.600 0.008 0.000 0.988 1151 S CA 0.405 58.616 58.200 0.019 0.000 0.944 1151 S CB -0.108 63.097 63.200 0.007 0.000 0.762 1151 S HN 0.331 nan 8.310 nan 0.000 0.526 1152 K N 0.286 120.684 120.400 -0.003 0.000 2.361 1152 K HA 0.310 4.630 4.320 0.000 0.000 0.196 1152 K C -0.010 176.586 176.600 -0.006 0.000 1.039 1152 K CA 0.009 56.291 56.287 -0.008 0.000 1.001 1152 K CB -0.285 32.204 32.500 -0.018 0.000 0.795 1152 K HN 0.344 nan 8.250 nan 0.000 0.495 1153 L N 1.708 122.931 121.223 0.000 0.000 2.357 1153 L HA 0.215 4.555 4.340 0.000 0.000 0.273 1153 L C 0.419 177.288 176.870 -0.002 0.000 1.080 1153 L CA 0.021 54.858 54.840 -0.005 0.000 0.803 1153 L CB 0.898 42.956 42.059 -0.003 0.000 1.174 1153 L HN 0.026 nan 8.230 nan 0.000 0.443 1154 Q N 3.281 123.070 119.800 -0.017 0.000 2.560 1154 Q HA 0.220 4.560 4.340 0.000 0.000 0.238 1154 Q C -0.064 175.908 176.000 -0.047 0.000 1.079 1154 Q CA -0.511 55.283 55.803 -0.015 0.000 0.866 1154 Q CB 1.375 30.106 28.738 -0.013 0.000 1.153 1154 Q HN 0.398 nan 8.270 nan 0.000 0.530 1155 L N 0.732 121.919 121.223 -0.061 0.000 2.585 1155 L HA 0.021 4.361 4.340 0.000 0.000 0.226 1155 L C 1.863 178.671 176.870 -0.103 0.000 1.113 1155 L CA 0.986 55.705 54.840 -0.202 0.000 0.876 1155 L CB -0.330 41.517 42.059 -0.354 0.000 1.072 1155 L HN 0.456 nan 8.230 nan 0.000 0.468 1156 T N -0.332 114.243 114.554 0.035 0.000 2.883 1156 T HA -0.229 4.121 4.350 0.000 0.000 0.266 1156 T C 1.091 175.841 174.700 0.082 0.000 1.103 1156 T CA 1.708 63.865 62.100 0.096 0.000 1.125 1156 T CB -0.332 68.570 68.868 0.056 0.000 0.819 1156 T HN 0.592 nan 8.240 nan 0.000 0.536 1157 D N -1.114 119.298 120.400 0.020 0.000 2.510 1157 D HA 0.132 4.772 4.640 0.000 0.000 0.234 1157 D C 1.415 177.706 176.300 -0.015 0.000 1.178 1157 D CA -0.095 53.916 54.000 0.019 0.000 0.816 1157 D CB -0.232 40.572 40.800 0.007 0.000 1.143 1157 D HN 0.269 nan 8.370 nan 0.000 0.526 1158 S N 0.196 115.833 115.700 -0.106 0.000 2.406 1158 S HA -0.036 4.434 4.470 0.000 0.000 0.228 1158 S C 1.395 175.951 174.600 -0.073 0.000 1.020 1158 S CA 0.528 58.645 58.200 -0.138 0.000 0.965 1158 S CB -0.338 62.706 63.200 -0.259 0.000 0.798 1158 S HN 0.233 nan 8.310 nan 0.000 0.488 1159 Y N 2.373 122.657 120.300 -0.026 0.000 2.163 1159 Y HA -0.073 4.477 4.550 0.000 0.000 0.288 1159 Y C 2.610 178.489 175.900 -0.035 0.000 1.136 1159 Y CA 0.653 58.724 58.100 -0.048 0.000 1.147 1159 Y CB -0.882 37.543 38.460 -0.057 0.000 0.987 1159 Y HN 0.304 nan 8.280 nan 0.000 0.509 1160 Q N -0.240 119.655 119.800 0.158 0.000 2.135 1160 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 1160 Q C 2.357 178.397 176.000 0.067 0.000 0.981 1160 Q CA 1.548 57.406 55.803 0.090 0.000 0.856 1160 Q CB -0.399 28.380 28.738 0.067 0.000 0.902 1160 Q HN 0.503 nan 8.270 nan 0.000 0.425 1161 L N 0.491 121.746 121.223 0.053 0.000 2.005 1161 L HA -0.161 4.179 4.340 0.000 0.000 0.207 1161 L C 2.303 179.206 176.870 0.056 0.000 1.072 1161 L CA 0.895 55.754 54.840 0.032 0.000 0.744 1161 L CB -0.234 41.826 42.059 0.003 0.000 0.895 1161 L HN 0.327 nan 8.230 nan 0.000 0.433 1162 L N -0.072 121.196 121.223 0.075 0.000 2.042 1162 L HA -0.277 4.063 4.340 0.000 0.000 0.210 1162 L C 2.465 179.411 176.870 0.127 0.000 1.076 1162 L CA 1.790 56.699 54.840 0.115 0.000 0.749 1162 L CB -0.359 41.762 42.059 0.104 0.000 0.893 1162 L HN 0.425 nan 8.230 nan 0.000 0.432 1163 E N -0.512 119.744 120.200 0.094 0.000 2.153 1163 E HA -0.284 4.066 4.350 0.000 0.000 0.194 1163 E C 2.034 178.712 176.600 0.130 0.000 0.988 1163 E CA 1.098 57.572 56.400 0.122 0.000 0.811 1163 E CB 0.055 29.822 29.700 0.112 0.000 0.746 1163 E HN 0.423 nan 8.360 nan 0.000 0.466 1164 K N 0.669 121.123 120.400 0.090 0.000 2.044 1164 K HA -0.080 4.240 4.320 0.000 0.000 0.204 1164 K C 2.090 178.724 176.600 0.058 0.000 1.049 1164 K CA 0.584 56.907 56.287 0.060 0.000 0.945 1164 K CB 0.162 32.685 32.500 0.039 0.000 0.724 1164 K HN -0.028 nan 8.250 nan 0.000 0.440 1165 I N 1.236 121.853 120.570 0.079 0.000 2.208 1165 I HA -0.208 3.962 4.170 0.000 0.000 0.245 1165 I C 2.231 178.442 176.117 0.157 0.000 1.097 1165 I CA 1.200 62.558 61.300 0.097 0.000 1.363 1165 I CB -0.720 37.353 38.000 0.122 0.000 1.051 1165 I HN 0.040 nan 8.210 nan 0.000 0.413 1166 V N 0.236 120.274 119.914 0.208 0.000 3.406 1166 V HA -0.002 4.118 4.120 0.000 0.000 0.263 1166 V C 0.980 177.092 176.094 0.030 0.000 1.172 1166 V CA 0.649 63.072 62.300 0.205 0.000 1.140 1166 V CB -1.048 30.988 31.823 0.354 0.000 0.784 1166 V HN 0.669 nan 8.190 nan 0.000 0.467 1167 N N -1.230 117.493 118.700 0.038 0.000 2.727 1167 N HA -0.320 4.420 4.740 0.000 0.000 0.251 1167 N C 0.730 176.272 175.510 0.054 0.000 1.040 1167 N CA 0.583 53.632 53.050 -0.003 0.000 0.712 1167 N CB -1.172 37.247 38.487 -0.113 0.000 0.912 1167 N HN 0.655 nan 8.380 nan 0.000 0.545 1168 Y N 0.999 121.298 120.300 -0.003 0.000 2.081 1168 Y HA -0.259 4.291 4.550 0.000 0.000 0.280 1168 Y C 1.292 177.187 175.900 -0.009 0.000 1.163 1168 Y CA 1.867 59.974 58.100 0.011 0.000 1.135 1168 Y CB 0.062 38.539 38.460 0.028 0.000 0.970 1168 Y HN 0.394 nan 8.280 nan 0.000 0.498 1169 K N 0.697 121.054 120.400 -0.071 0.000 2.397 1169 K HA -0.082 4.238 4.320 0.000 0.000 0.265 1169 K C 0.039 176.549 176.600 -0.150 0.000 0.982 1169 K CA 0.463 56.651 56.287 -0.165 0.000 0.931 1169 K CB 0.354 32.818 32.500 -0.060 0.000 0.943 1169 K HN 0.366 nan 8.250 nan 0.000 0.501 1170 D N -1.424 118.886 120.400 -0.150 0.000 2.792 1170 D HA -0.188 4.452 4.640 0.000 0.000 0.192 1170 D C -0.333 175.890 176.300 -0.130 0.000 1.007 1170 D CA 1.880 55.809 54.000 -0.119 0.000 1.020 1170 D CB -1.438 39.304 40.800 -0.098 0.000 1.089 1170 D HN 0.750 nan 8.370 nan 0.000 0.438 1171 S N -0.361 115.228 115.700 -0.185 0.000 2.632 1171 S HA 0.545 5.015 4.470 0.000 0.000 0.271 1171 S C -1.359 173.155 174.600 -0.144 0.000 1.260 1171 S CA -0.773 57.341 58.200 -0.144 0.000 1.010 1171 S CB 2.651 65.765 63.200 -0.144 0.000 0.965 1171 S HN -0.144 nan 8.310 nan 0.000 0.534 1172 P HA -0.080 nan 4.420 nan 0.000 0.218 1172 P C 1.376 178.633 177.300 -0.072 0.000 1.149 1172 P CA 1.600 64.667 63.100 -0.055 0.000 0.817 1172 P CB -0.317 31.377 31.700 -0.010 0.000 0.785 1173 A N -0.864 121.911 122.820 -0.076 0.000 2.125 1173 A HA -0.173 4.147 4.320 0.000 0.000 0.219 1173 A C 2.467 179.960 177.584 -0.152 0.000 1.156 1173 A CA 1.751 53.751 52.037 -0.061 0.000 0.671 1173 A CB -1.681 17.347 19.000 0.046 0.000 0.794 1173 A HN 0.382 nan 8.150 nan 0.000 0.459 1174 c N -0.592 117.849 118.600 -0.266 0.000 2.393 1174 c HA 0.253 4.823 4.570 0.000 0.000 0.332 1174 c C 1.678 175.675 174.090 -0.156 0.000 1.423 1174 c CA 0.884 57.052 56.329 -0.269 0.000 2.097 1174 c CB -0.553 41.684 42.510 -0.456 0.000 2.274 1174 c HN 0.587 nan 8.230 nan 0.000 0.570 1175 K N 0.992 121.308 120.400 -0.140 0.000 3.173 1175 K HA 0.359 4.679 4.320 0.000 0.000 0.255 1175 K C 0.378 176.939 176.600 -0.066 0.000 1.235 1175 K CA 0.670 56.902 56.287 -0.092 0.000 1.250 1175 K CB -0.272 32.176 32.500 -0.086 0.000 1.382 1175 K HN 0.722 nan 8.250 nan 0.000 0.421 1176 E N 0.574 120.738 120.200 -0.061 0.000 1.974 1176 E HA 0.033 4.383 4.350 0.000 0.000 0.196 1176 E C 0.008 176.589 176.600 -0.032 0.000 0.972 1176 E CA 0.025 56.401 56.400 -0.040 0.000 1.303 1176 E CB 0.333 30.013 29.700 -0.034 0.000 3.584 1176 E HN 0.266 nan 8.360 nan 0.000 0.907 1177 K N 1.616 121.994 120.400 -0.037 0.000 2.586 1177 K HA 0.061 4.381 4.320 0.000 0.000 0.198 1177 K C -0.536 176.046 176.600 -0.029 0.000 1.170 1177 K CA 0.341 56.613 56.287 -0.025 0.000 1.069 1177 K CB 1.289 33.779 32.500 -0.016 0.000 0.944 1177 K HN 0.065 nan 8.250 nan 0.000 0.572 1178 Q N 0.937 120.711 119.800 -0.044 0.000 2.402 1178 Q HA -0.269 4.071 4.340 0.000 0.000 0.356 1178 Q C -1.287 174.692 176.000 -0.035 0.000 1.344 1178 Q CA 1.274 57.049 55.803 -0.047 0.000 1.062 1178 Q CB -2.568 26.149 28.738 -0.035 0.000 1.268 1178 Q HN 0.536 nan 8.270 nan 0.000 0.383 1179 Q N 0.110 119.887 119.800 -0.039 0.000 2.506 1179 Q HA 0.401 4.741 4.340 0.000 0.000 0.242 1179 Q C -0.179 175.826 176.000 0.008 0.000 1.060 1179 Q CA -0.291 55.517 55.803 0.010 0.000 0.826 1179 Q CB 1.048 29.813 28.738 0.045 0.000 1.169 1179 Q HN 0.543 nan 8.270 nan 0.000 0.521 1180 c N 0.586 119.201 118.600 0.025 0.000 2.881 1180 c HA 0.327 4.897 4.570 0.000 0.000 0.290 1180 c C 0.710 174.955 174.090 0.258 0.000 1.362 1180 c CA -0.295 56.056 56.329 0.037 0.000 1.757 1180 c CB -0.360 42.120 42.510 -0.051 0.000 2.265 1180 c HN 0.611 nan 8.230 nan 0.000 0.600 1181 S N 0.226 116.075 115.700 0.248 0.000 2.776 1181 S HA 0.485 4.955 4.470 0.000 0.000 0.284 1181 S C 0.287 174.841 174.600 -0.076 0.000 1.160 1181 S CA -0.374 57.889 58.200 0.105 0.000 1.051 1181 S CB 0.388 63.601 63.200 0.022 0.000 1.037 1181 S HN 0.169 nan 8.310 nan 0.000 0.485 1182 L N 5.331 126.388 121.223 -0.276 0.000 2.072 1182 L HA 0.101 4.441 4.340 0.000 0.000 0.205 1182 L C 2.551 178.954 176.870 -0.779 0.000 1.079 1182 L CA 1.567 56.052 54.840 -0.591 0.000 0.752 1182 L CB -0.650 41.003 42.059 -0.678 0.000 0.906 1182 L HN 0.659 nan 8.230 nan 0.000 0.436 1183 V N -0.500 119.138 119.914 -0.461 0.000 2.427 1183 V HA -0.228 3.892 4.120 0.000 0.000 0.248 1183 V C 1.604 177.595 176.094 -0.172 0.000 1.051 1183 V CA 2.116 64.252 62.300 -0.274 0.000 1.048 1183 V CB -0.262 31.552 31.823 -0.015 0.000 0.666 1183 V HN 0.499 nan 8.190 nan 0.000 0.456 1184 D N 0.178 120.497 120.400 -0.134 0.000 2.367 1184 D HA 0.155 4.795 4.640 0.000 0.000 0.207 1184 D C 1.176 177.420 176.300 -0.094 0.000 1.034 1184 D CA 0.736 54.690 54.000 -0.078 0.000 0.861 1184 D CB 0.013 40.790 40.800 -0.039 0.000 0.943 1184 D HN 0.547 nan 8.370 nan 0.000 0.515 1185 G N 2.585 111.294 108.800 -0.152 0.000 2.562 1185 G HA2 -0.030 3.930 3.960 0.000 0.000 0.233 1185 G HA3 -0.030 3.930 3.960 0.000 0.000 0.233 1185 G C 1.328 176.162 174.900 -0.109 0.000 1.266 1185 G CA -0.272 44.749 45.100 -0.132 0.000 0.852 1185 G HN -0.023 nan 8.290 nan 0.000 0.581 1186 K N 1.406 121.758 120.400 -0.081 0.000 2.001 1186 K HA -0.085 4.235 4.320 0.000 0.000 0.221 1186 K C 0.508 177.053 176.600 -0.092 0.000 0.991 1186 K CA 0.904 57.151 56.287 -0.068 0.000 1.047 1186 K CB -0.799 31.668 32.500 -0.056 0.000 0.867 1186 K HN 0.643 nan 8.250 nan 0.000 0.469 1187 N N -0.963 117.664 118.700 -0.122 0.000 4.301 1187 N HA -0.074 4.666 4.740 0.000 0.000 0.259 1187 N C -1.978 173.378 175.510 -0.257 0.000 2.212 1187 N CA 0.868 53.788 53.050 -0.215 0.000 2.736 1187 N CB -0.533 37.820 38.487 -0.224 0.000 0.365 1187 N HN 0.951 nan 8.380 nan 0.000 0.550 1188 T N 0.770 115.143 114.554 -0.303 0.000 2.881 1188 T HA 0.724 5.074 4.350 0.000 0.000 0.291 1188 T C -0.313 174.225 174.700 -0.270 0.000 0.990 1188 T CA -0.547 61.425 62.100 -0.212 0.000 0.976 1188 T CB 0.311 69.130 68.868 -0.082 0.000 0.970 1188 T HN 0.201 nan 8.240 nan 0.000 0.438 1189 F N 2.262 122.180 119.950 -0.053 0.000 2.362 1189 F HA 0.731 5.258 4.527 0.000 0.000 0.311 1189 F C 1.341 177.107 175.800 -0.057 0.000 1.161 1189 F CA -0.278 57.676 58.000 -0.076 0.000 1.085 1189 F CB 1.282 40.220 39.000 -0.104 0.000 1.311 1189 F HN 0.922 nan 8.300 nan 0.000 0.524 1190 S N -0.576 115.219 115.700 0.158 0.000 2.596 1190 S HA 0.828 5.298 4.470 0.000 0.000 0.270 1190 S C -0.937 173.703 174.600 0.067 0.000 1.155 1190 S CA -0.365 57.885 58.200 0.083 0.000 0.827 1190 S CB 1.635 64.868 63.200 0.055 0.000 1.130 1190 S HN 1.133 nan 8.310 nan 0.000 0.467 1191 A N 0.766 123.630 122.820 0.074 0.000 2.958 1191 A HA 0.519 4.839 4.320 0.000 0.000 0.214 1191 A C -0.642 177.031 177.584 0.148 0.000 0.902 1191 A CA -0.805 51.296 52.037 0.107 0.000 1.136 1191 A CB -0.428 18.634 19.000 0.103 0.000 1.250 1191 A HN 0.761 nan 8.150 nan 0.000 0.497 1192 K N 0.025 120.495 120.400 0.117 0.000 2.451 1192 K HA 0.261 4.581 4.320 0.000 0.000 0.280 1192 K C -0.232 176.464 176.600 0.160 0.000 1.020 1192 K CA -0.367 56.001 56.287 0.135 0.000 1.008 1192 K CB -0.297 32.263 32.500 0.099 0.000 0.917 1192 K HN 0.379 nan 8.250 nan 0.000 0.478 1193 Y N 2.547 122.884 120.300 0.061 0.000 2.904 1193 Y HA -0.191 4.359 4.550 0.000 0.000 0.336 1193 Y C 0.814 176.734 175.900 0.033 0.000 1.263 1193 Y CA 1.295 59.419 58.100 0.039 0.000 1.547 1193 Y CB 0.337 38.809 38.460 0.019 0.000 1.272 1193 Y HN 0.861 nan 8.280 nan 0.000 0.596 1194 Q N 0.965 120.341 119.800 -0.706 0.000 2.465 1194 Q HA -0.249 4.091 4.340 0.000 0.000 0.248 1194 Q C -1.465 174.412 176.000 -0.205 0.000 0.819 1194 Q CA 1.789 57.243 55.803 -0.582 0.000 1.219 1194 Q CB -1.415 26.978 28.738 -0.575 0.000 1.472 1194 Q HN 0.888 nan 8.270 nan 0.000 0.630 1195 Q N -0.381 119.359 119.800 -0.100 0.000 2.495 1195 Q HA 0.482 4.822 4.340 0.000 0.000 0.287 1195 Q C -0.811 175.205 176.000 0.027 0.000 1.078 1195 Q CA -1.029 54.763 55.803 -0.019 0.000 0.793 1195 Q CB 1.516 30.261 28.738 0.011 0.000 1.459 1195 Q HN 0.231 nan 8.270 nan 0.000 0.422 1196 E N 2.352 122.590 120.200 0.062 0.000 2.383 1196 E HA 0.035 4.385 4.350 0.000 0.000 0.264 1196 E C -1.678 174.968 176.600 0.078 0.000 1.050 1196 E CA -1.553 54.923 56.400 0.127 0.000 0.896 1196 E CB 0.472 30.288 29.700 0.193 0.000 0.982 1196 E HN 0.314 nan 8.360 nan 0.000 0.424 1197 P HA -0.090 nan 4.420 nan 0.000 0.250 1197 P C 0.605 177.847 177.300 -0.096 0.000 1.239 1197 P CA 0.253 63.323 63.100 -0.049 0.000 0.756 1197 P CB -0.295 31.330 31.700 -0.126 0.000 1.013 1198 G N 0.382 109.140 108.800 -0.071 0.000 3.597 1198 G HA2 0.036 3.996 3.960 0.000 0.000 0.243 1198 G HA3 0.036 3.996 3.960 0.000 0.000 0.243 1198 G C -0.383 174.501 174.900 -0.026 0.000 1.275 1198 G CA -0.079 44.986 45.100 -0.059 0.000 0.878 1198 G HN 0.317 nan 8.290 nan 0.000 0.611 1199 V N -0.717 119.163 119.914 -0.056 0.000 3.078 1199 V HA 0.788 4.908 4.120 0.000 0.000 0.311 1199 V C -0.298 175.731 176.094 -0.109 0.000 1.138 1199 V CA -0.287 61.922 62.300 -0.152 0.000 1.007 1199 V CB 2.431 34.016 31.823 -0.397 0.000 1.045 1199 V HN 1.117 nan 8.190 nan 0.000 0.432 1200 S N 2.427 118.021 115.700 -0.176 0.000 2.561 1200 S HA 0.952 5.422 4.470 0.000 0.000 0.303 1200 S C -0.222 174.291 174.600 -0.145 0.000 1.110 1200 S CA 0.519 58.655 58.200 -0.107 0.000 1.034 1200 S CB 0.870 64.026 63.200 -0.074 0.000 1.010 1200 S HN 2.161 nan 8.310 nan 0.000 0.482 1201 G N 4.530 113.273 108.800 -0.095 0.000 2.340 1201 G HA2 0.100 4.060 3.960 0.000 0.000 0.282 1201 G HA3 0.100 4.060 3.960 0.000 0.000 0.282 1201 G C -2.719 172.133 174.900 -0.081 0.000 1.312 1201 G CA -0.204 44.834 45.100 -0.103 0.000 0.942 1201 G HN 0.388 nan 8.290 nan 0.000 0.495 1202 P HA -0.040 nan 4.420 nan 0.000 0.221 1202 P C 2.019 179.355 177.300 0.060 0.000 1.145 1202 P CA 1.040 64.052 63.100 -0.147 0.000 0.795 1202 P CB 0.227 31.675 31.700 -0.419 0.000 0.775 1203 L N 0.381 121.658 121.223 0.090 0.000 2.072 1203 L HA -0.052 4.288 4.340 0.000 0.000 0.205 1203 L C 2.580 179.563 176.870 0.189 0.000 1.079 1203 L CA 2.005 56.959 54.840 0.191 0.000 0.752 1203 L CB -1.267 40.859 42.059 0.111 0.000 0.906 1203 L HN -0.220 nan 8.230 nan 0.000 0.436 1204 K N -0.528 119.945 120.400 0.123 0.000 2.009 1204 K HA -0.176 4.144 4.320 0.000 0.000 0.210 1204 K C 2.103 178.696 176.600 -0.012 0.000 1.049 1204 K CA 2.286 58.644 56.287 0.118 0.000 0.929 1204 K CB -1.042 31.491 32.500 0.056 0.000 0.714 1204 K HN 0.276 nan 8.250 nan 0.000 0.440 1205 V N 0.196 120.102 119.914 -0.013 0.000 2.427 1205 V HA -0.034 4.086 4.120 0.000 0.000 0.248 1205 V C 1.956 178.018 176.094 -0.053 0.000 1.051 1205 V CA 2.437 64.714 62.300 -0.038 0.000 1.048 1205 V CB -0.898 30.909 31.823 -0.027 0.000 0.666 1205 V HN 0.450 nan 8.190 nan 0.000 0.456 1206 G N -0.106 108.697 108.800 0.005 0.000 2.422 1206 G HA2 -0.343 3.617 3.960 0.000 0.000 0.218 1206 G HA3 -0.343 3.617 3.960 0.000 0.000 0.218 1206 G C 1.435 176.272 174.900 -0.105 0.000 1.146 1206 G CA 1.043 46.143 45.100 0.000 0.000 0.769 1206 G HN 0.624 nan 8.290 nan 0.000 0.547 1207 N N 0.273 118.881 118.700 -0.153 0.000 2.171 1207 N HA -0.071 4.669 4.740 0.000 0.000 0.184 1207 N C 2.394 177.698 175.510 -0.343 0.000 1.021 1207 N CA 1.522 54.384 53.050 -0.314 0.000 0.854 1207 N CB -0.055 37.980 38.487 -0.753 0.000 0.994 1207 N HN 0.198 nan 8.380 nan 0.000 0.426 1208 S N 0.263 115.772 115.700 -0.318 0.000 2.343 1208 S HA -0.091 4.379 4.470 0.000 0.000 0.219 1208 S C 1.717 176.126 174.600 -0.318 0.000 1.033 1208 S CA 0.866 58.888 58.200 -0.297 0.000 1.014 1208 S CB -0.454 62.602 63.200 -0.240 0.000 0.915 1208 S HN 0.187 nan 8.310 nan 0.000 0.435 1209 L N 1.494 122.534 121.223 -0.306 0.000 1.970 1209 L HA -0.065 4.275 4.340 0.000 0.000 0.212 1209 L C 2.502 178.905 176.870 -0.777 0.000 1.071 1209 L CA 1.391 55.955 54.840 -0.459 0.000 0.751 1209 L CB -1.481 40.395 42.059 -0.305 0.000 0.889 1209 L HN 0.157 nan 8.230 nan 0.000 0.432 1210 V N -0.139 119.461 119.914 -0.523 0.000 2.392 1210 V HA -0.302 3.818 4.120 0.000 0.000 0.249 1210 V C 2.337 178.338 176.094 -0.156 0.000 1.059 1210 V CA 1.853 63.957 62.300 -0.326 0.000 1.051 1210 V CB -0.594 31.152 31.823 -0.129 0.000 0.658 1210 V HN 0.464 nan 8.190 nan 0.000 0.455 1211 D N 0.336 120.625 120.400 -0.185 0.000 2.117 1211 D HA -0.153 4.487 4.640 0.000 0.000 0.197 1211 D C 2.144 178.399 176.300 -0.075 0.000 0.987 1211 D CA 1.668 55.594 54.000 -0.122 0.000 0.829 1211 D CB -0.140 40.552 40.800 -0.180 0.000 0.961 1211 D HN 0.374 nan 8.370 nan 0.000 0.460 1212 A N -0.363 122.382 122.820 -0.125 0.000 1.902 1212 A HA -0.106 4.214 4.320 0.000 0.000 0.217 1212 A C 2.410 180.193 177.584 0.332 0.000 1.181 1212 A CA 1.093 53.145 52.037 0.024 0.000 0.623 1212 A CB -1.212 17.740 19.000 -0.080 0.000 0.818 1212 A HN 0.414 nan 8.150 nan 0.000 0.443 1213 F N 0.394 120.464 119.950 0.201 0.000 2.171 1213 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 1213 F C 2.741 178.696 175.800 0.258 0.000 1.090 1213 F CA 1.112 59.251 58.000 0.232 0.000 1.293 1213 F CB -0.602 38.497 39.000 0.166 0.000 1.013 1213 F HN 0.186 nan 8.300 nan 0.000 0.486 1214 T N 0.758 115.504 114.554 0.320 0.000 2.788 1214 T HA -0.133 4.217 4.350 0.000 0.000 0.268 1214 T C 1.946 176.505 174.700 -0.235 0.000 1.044 1214 T CA 0.743 62.825 62.100 -0.030 0.000 1.139 1214 T CB -0.212 68.588 68.868 -0.112 0.000 0.867 1214 T HN 0.026 nan 8.240 nan 0.000 0.454 1215 L N 1.317 122.562 121.223 0.037 0.000 2.109 1215 L HA 0.015 4.355 4.340 0.000 0.000 0.207 1215 L C 2.582 179.638 176.870 0.310 0.000 1.086 1215 L CA 1.597 56.551 54.840 0.190 0.000 0.760 1215 L CB -1.426 40.712 42.059 0.132 0.000 0.910 1215 L HN 0.389 nan 8.230 nan 0.000 0.437 1216 Q N -1.561 118.437 119.800 0.331 0.000 2.096 1216 Q HA -0.275 4.065 4.340 0.000 0.000 0.204 1216 Q C 2.154 178.091 176.000 -0.105 0.000 0.982 1216 Q CA 1.841 57.649 55.803 0.008 0.000 0.850 1216 Q CB -0.404 28.551 28.738 0.361 0.000 0.901 1216 Q HN 0.428 nan 8.270 nan 0.000 0.422 1217 Y N 0.218 120.483 120.300 -0.057 0.000 2.128 1217 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 1217 Y C 1.829 177.668 175.900 -0.102 0.000 1.154 1217 Y CA 1.662 59.681 58.100 -0.135 0.000 1.149 1217 Y CB -0.190 38.056 38.460 -0.357 0.000 0.976 1217 Y HN 0.090 nan 8.280 nan 0.000 0.505 1218 Y N 0.084 120.403 120.300 0.031 0.000 2.163 1218 Y HA -0.151 4.399 4.550 0.000 0.000 0.288 1218 Y C 2.506 178.305 175.900 -0.169 0.000 1.136 1218 Y CA 1.411 59.478 58.100 -0.054 0.000 1.147 1218 Y CB -1.273 37.208 38.460 0.033 0.000 0.987 1218 Y HN 0.170 nan 8.280 nan 0.000 0.509 1219 E N 0.340 120.498 120.200 -0.070 0.000 2.233 1219 E HA -0.116 4.234 4.350 0.000 0.000 0.199 1219 E C 1.637 178.062 176.600 -0.292 0.000 1.004 1219 E CA 1.345 57.559 56.400 -0.310 0.000 0.819 1219 E CB -0.604 28.519 29.700 -0.961 0.000 0.738 1219 E HN 0.522 nan 8.360 nan 0.000 0.478 1220 G N -1.269 107.369 108.800 -0.270 0.000 2.130 1220 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 1220 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 1220 G C 0.155 175.047 174.900 -0.012 0.000 0.999 1220 G CA -0.102 44.904 45.100 -0.158 0.000 0.686 1220 G HN 0.271 nan 8.290 nan 0.000 0.515 1221 F N 1.735 121.570 119.950 -0.191 0.000 2.553 1221 F HA 0.241 4.768 4.527 -0.000 0.000 0.356 1221 F C -0.477 175.240 175.800 -0.139 0.000 1.142 1221 F CA -1.627 56.263 58.000 -0.183 0.000 1.322 1221 F CB 0.618 39.498 39.000 -0.199 0.000 1.126 1221 F HN 0.000 nan 8.300 nan 0.000 0.599 1222 P HA -0.083 nan 4.420 nan 0.000 0.269 1222 P C 0.379 177.691 177.300 0.020 0.000 1.209 1222 P CA -0.255 62.847 63.100 0.004 0.000 0.776 1222 P CB 0.649 32.329 31.700 -0.033 0.000 0.876 1223 M N 1.174 120.789 119.600 0.025 0.000 2.331 1223 M HA -0.143 4.337 4.480 0.000 0.000 0.260 1223 M C 0.994 177.308 176.300 0.025 0.000 1.072 1223 M CA 1.552 56.888 55.300 0.060 0.000 1.065 1223 M CB -1.591 31.055 32.600 0.077 0.000 1.392 1223 M HN 0.366 nan 8.290 nan 0.000 0.427 1224 D N -0.241 120.156 120.400 -0.005 0.000 2.348 1224 D HA -0.090 4.550 4.640 0.000 0.000 0.216 1224 D C 1.004 177.269 176.300 -0.059 0.000 0.970 1224 D CA 0.729 54.716 54.000 -0.023 0.000 0.889 1224 D CB -0.010 40.775 40.800 -0.024 0.000 0.912 1224 D HN 0.535 nan 8.370 nan 0.000 0.524 1225 Q N 0.196 119.946 119.800 -0.083 0.000 2.141 1225 Q HA 0.216 4.556 4.340 0.000 0.000 0.248 1225 Q C -0.608 175.315 176.000 -0.128 0.000 0.834 1225 Q CA -0.094 55.612 55.803 -0.160 0.000 1.096 1225 Q CB 2.174 30.765 28.738 -0.245 0.000 1.189 1225 Q HN -0.077 nan 8.270 nan 0.000 0.471 1226 V N 0.112 119.956 119.914 -0.117 0.000 2.305 1226 V HA 0.644 4.764 4.120 0.000 0.000 0.275 1226 V C -0.024 175.799 176.094 -0.451 0.000 1.020 1226 V CA 0.379 62.632 62.300 -0.078 0.000 0.811 1226 V CB 0.541 32.490 31.823 0.211 0.000 1.031 1226 V HN 0.377 nan 8.190 nan 0.000 0.439 1227 A N 6.521 128.720 122.820 -1.034 0.000 2.925 1227 A HA -0.152 4.168 4.320 0.000 0.000 0.265 1227 A C 0.748 177.877 177.584 -0.758 0.000 1.419 1227 A CA 1.017 52.068 52.037 -1.643 0.000 0.807 1227 A CB -2.346 15.666 19.000 -1.646 0.000 1.043 1227 A HN 2.007 nan 8.150 nan 0.000 0.600 1228 W N -3.211 117.896 121.300 -0.322 0.000 4.233 1228 W HA -0.233 4.427 4.660 0.000 0.000 0.328 1228 W C 1.524 177.941 176.519 -0.171 0.000 1.212 1228 W CA 1.446 58.657 57.345 -0.222 0.000 0.752 1228 W CB -2.271 27.049 29.460 -0.233 0.000 2.277 1228 W HN 2.521 nan 8.180 nan 0.000 1.465 1229 G N -1.118 107.636 108.800 -0.077 0.000 2.179 1229 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 1229 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 1229 G C 0.993 175.858 174.900 -0.059 0.000 0.977 1229 G CA 0.807 45.882 45.100 -0.042 0.000 0.641 1229 G HN 0.336 nan 8.290 nan 0.000 0.533 1230 E N 0.374 120.526 120.200 -0.081 0.000 2.047 1230 E HA -0.062 4.288 4.350 0.000 0.000 0.191 1230 E C 2.678 179.173 176.600 -0.176 0.000 0.987 1230 E CA 1.591 57.939 56.400 -0.088 0.000 0.799 1230 E CB -0.423 29.257 29.700 -0.032 0.000 0.752 1230 E HN 0.771 nan 8.360 nan 0.000 0.449 1231 I N 1.189 121.551 120.570 -0.347 0.000 2.034 1231 I HA -0.229 3.941 4.170 0.000 0.000 0.228 1231 I C 2.146 178.070 176.117 -0.321 0.000 1.041 1231 I CA 1.049 62.031 61.300 -0.531 0.000 1.321 1231 I CB -1.699 35.570 38.000 -1.219 0.000 1.062 1231 I HN -0.036 nan 8.210 nan 0.000 0.389 1232 K N 1.161 121.440 120.400 -0.201 0.000 2.555 1232 K HA -0.343 3.977 4.320 0.000 0.000 0.205 1232 K C 0.731 177.403 176.600 0.121 0.000 0.745 1232 K CA 2.550 58.934 56.287 0.162 0.000 1.091 1232 K CB -2.052 30.519 32.500 0.119 0.000 1.174 1232 K HN 0.638 nan 8.250 nan 0.000 0.617 1233 S N 2.621 118.341 115.700 0.034 0.000 4.142 1233 S HA -0.017 4.453 4.470 0.000 0.000 0.497 1233 S C 0.164 174.793 174.600 0.049 0.000 1.055 1233 S CA 0.876 59.093 58.200 0.029 0.000 1.165 1233 S CB -1.563 61.632 63.200 -0.009 0.000 0.774 1233 S HN 0.707 nan 8.310 nan 0.000 0.512 1234 D N 1.998 122.445 120.400 0.079 0.000 3.347 1234 D HA -0.279 4.361 4.640 0.000 0.000 0.234 1234 D C -0.588 175.796 176.300 0.141 0.000 1.753 1234 D CA 1.038 55.092 54.000 0.089 0.000 1.103 1234 D CB -0.329 40.502 40.800 0.053 0.000 0.762 1234 D HN 0.476 nan 8.370 nan 0.000 0.910 1235 Q N -0.026 119.843 119.800 0.116 0.000 2.901 1235 Q HA 0.236 4.576 4.340 0.000 0.000 0.265 1235 Q C 0.098 176.162 176.000 0.107 0.000 1.263 1235 Q CA 0.065 55.962 55.803 0.157 0.000 1.088 1235 Q CB 0.658 29.460 28.738 0.107 0.000 1.339 1235 Q HN 0.540 nan 8.270 nan 0.000 0.546 1236 Q N -0.360 119.476 119.800 0.061 0.000 2.403 1236 Q HA 0.030 4.370 4.340 0.000 0.000 0.203 1236 Q C 0.891 176.872 176.000 -0.032 0.000 0.932 1236 Q CA 0.095 55.883 55.803 -0.026 0.000 0.945 1236 Q CB 0.401 29.077 28.738 -0.105 0.000 1.045 1236 Q HN 0.545 nan 8.270 nan 0.000 0.511 1237 W N 0.969 122.242 121.300 -0.045 0.000 2.436 1237 W HA -0.070 4.590 4.660 0.000 0.000 0.284 1237 W C 1.804 178.284 176.519 -0.065 0.000 1.225 1237 W CA 1.076 58.379 57.345 -0.069 0.000 1.271 1237 W CB 0.179 29.552 29.460 -0.146 0.000 1.114 1237 W HN 0.078 nan 8.180 nan 0.000 0.559 1238 K N 0.135 120.637 120.400 0.170 0.000 2.097 1238 K HA -0.117 4.203 4.320 0.000 0.000 0.205 1238 K C 1.808 178.433 176.600 0.042 0.000 1.050 1238 K CA 1.264 57.600 56.287 0.081 0.000 0.938 1238 K CB -0.527 32.004 32.500 0.051 0.000 0.718 1238 K HN -0.097 nan 8.250 nan 0.000 0.442 1239 V N 0.731 120.661 119.914 0.027 0.000 2.323 1239 V HA -0.176 3.944 4.120 0.000 0.000 0.244 1239 V C 2.197 178.275 176.094 -0.026 0.000 1.041 1239 V CA 1.447 63.742 62.300 -0.010 0.000 1.025 1239 V CB -0.429 31.384 31.823 -0.018 0.000 0.656 1239 V HN 0.231 nan 8.190 nan 0.000 0.451 1240 L N 0.045 121.256 121.223 -0.019 0.000 2.083 1240 L HA -0.130 4.210 4.340 0.000 0.000 0.209 1240 L C 2.450 179.319 176.870 -0.002 0.000 1.083 1240 L CA 1.456 56.280 54.840 -0.027 0.000 0.752 1240 L CB -0.576 41.455 42.059 -0.046 0.000 0.899 1240 L HN 0.290 nan 8.230 nan 0.000 0.433 1241 S N -0.523 115.208 115.700 0.053 0.000 2.595 1241 S HA -0.101 4.369 4.470 0.000 0.000 0.235 1241 S C 1.702 176.303 174.600 0.001 0.000 0.974 1241 S CA 0.757 58.986 58.200 0.048 0.000 0.942 1241 S CB -0.143 63.102 63.200 0.075 0.000 0.766 1241 S HN 0.350 nan 8.310 nan 0.000 0.536 1242 K N 0.612 120.995 120.400 -0.029 0.000 2.296 1242 K HA 0.138 4.458 4.320 0.000 0.000 0.200 1242 K C 1.580 178.143 176.600 -0.062 0.000 1.048 1242 K CA 0.553 56.811 56.287 -0.049 0.000 0.966 1242 K CB -0.071 32.387 32.500 -0.071 0.000 0.754 1242 K HN 0.343 nan 8.250 nan 0.000 0.466 1243 L N 0.755 121.927 121.223 -0.084 0.000 2.068 1243 L HA -0.099 4.241 4.340 0.000 0.000 0.204 1243 L C 2.528 179.404 176.870 0.010 0.000 1.076 1243 L CA 1.061 55.850 54.840 -0.084 0.000 0.753 1243 L CB -0.273 41.707 42.059 -0.132 0.000 0.910 1243 L HN 0.080 nan 8.230 nan 0.000 0.439 1244 K N 0.312 120.710 120.400 -0.003 0.000 2.026 1244 K HA -0.165 4.155 4.320 0.000 0.000 0.208 1244 K C 1.847 178.503 176.600 0.093 0.000 1.048 1244 K CA 1.588 57.886 56.287 0.019 0.000 0.929 1244 K CB 0.053 32.551 32.500 -0.005 0.000 0.713 1244 K HN 0.274 nan 8.250 nan 0.000 0.439 1245 N N -0.143 118.592 118.700 0.057 0.000 2.396 1245 N HA -0.069 4.671 4.740 0.000 0.000 0.180 1245 N C 1.693 177.247 175.510 0.073 0.000 1.028 1245 N CA 1.127 54.214 53.050 0.061 0.000 0.893 1245 N CB -0.124 38.369 38.487 0.009 0.000 0.967 1245 N HN 0.363 nan 8.380 nan 0.000 0.440 1246 G N -0.132 108.708 108.800 0.066 0.000 2.408 1246 G HA2 -0.243 3.717 3.960 0.000 0.000 0.215 1246 G HA3 -0.243 3.717 3.960 0.000 0.000 0.215 1246 G C 1.443 176.413 174.900 0.116 0.000 1.156 1246 G CA 0.197 45.333 45.100 0.060 0.000 0.793 1246 G HN 0.306 nan 8.290 nan 0.000 0.535 1247 Y N 1.063 121.379 120.300 0.027 0.000 2.070 1247 Y HA -0.255 4.295 4.550 -0.000 0.000 0.280 1247 Y C 2.976 178.909 175.900 0.055 0.000 1.148 1247 Y CA 2.617 60.745 58.100 0.047 0.000 1.125 1247 Y CB -0.337 38.144 38.460 0.034 0.000 0.975 1247 Y HN 0.319 nan 8.280 nan 0.000 0.492 1248 Q N -0.124 119.858 119.800 0.303 0.000 2.084 1248 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 1248 Q C 1.806 177.895 176.000 0.148 0.000 0.978 1248 Q CA 2.025 57.999 55.803 0.285 0.000 0.844 1248 Q CB -0.279 28.653 28.738 0.324 0.000 0.898 1248 Q HN 0.541 nan 8.270 nan 0.000 0.426 1249 D N -0.372 120.078 120.400 0.083 0.000 2.117 1249 D HA -0.091 4.549 4.640 0.000 0.000 0.198 1249 D C 2.024 178.297 176.300 -0.044 0.000 0.982 1249 D CA 1.285 55.303 54.000 0.031 0.000 0.828 1249 D CB 0.046 40.852 40.800 0.010 0.000 0.967 1249 D HN 0.211 nan 8.370 nan 0.000 0.464 1250 S N 0.470 116.122 115.700 -0.080 0.000 2.356 1250 S HA -0.068 4.402 4.470 0.000 0.000 0.223 1250 S C 2.236 176.640 174.600 -0.328 0.000 1.032 1250 S CA 0.649 58.745 58.200 -0.173 0.000 1.005 1250 S CB -0.093 63.087 63.200 -0.033 0.000 0.867 1250 S HN 0.245 nan 8.310 nan 0.000 0.449 1251 L N -0.929 120.042 121.223 -0.420 0.000 2.095 1251 L HA 0.092 4.432 4.340 0.000 0.000 0.204 1251 L C 1.600 178.043 176.870 -0.711 0.000 1.080 1251 L CA 1.145 55.562 54.840 -0.706 0.000 0.759 1251 L CB -0.332 41.024 42.059 -1.170 0.000 0.914 1251 L HN 0.281 nan 8.230 nan 0.000 0.439 1252 F N -1.765 118.147 119.950 -0.064 0.000 2.724 1252 F HA 0.114 4.641 4.527 0.000 0.000 0.306 1252 F C 2.278 178.072 175.800 -0.010 0.000 1.100 1252 F CA 0.185 58.173 58.000 -0.020 0.000 1.255 1252 F CB -0.569 38.439 39.000 0.012 0.000 1.072 1252 F HN -0.187 nan 8.300 nan 0.000 0.589 1253 T N -0.913 113.706 114.554 0.109 0.000 3.043 1253 T HA -0.068 4.282 4.350 0.000 0.000 0.263 1253 T C 1.110 175.825 174.700 0.026 0.000 1.094 1253 T CA 0.540 62.682 62.100 0.070 0.000 1.127 1253 T CB -0.233 68.659 68.868 0.040 0.000 0.905 1253 T HN 0.142 nan 8.240 nan 0.000 0.490 1254 S N 2.593 118.277 115.700 -0.027 0.000 2.558 1254 S HA 0.003 4.473 4.470 0.000 0.000 0.291 1254 S C -1.092 173.507 174.600 -0.001 0.000 1.306 1254 S CA -1.148 57.021 58.200 -0.051 0.000 1.056 1254 S CB 0.843 63.971 63.200 -0.120 0.000 0.836 1254 S HN 0.124 nan 8.310 nan 0.000 0.504 1255 P HA -0.058 nan 4.420 nan 0.000 0.225 1255 P C 0.821 178.144 177.300 0.038 0.000 1.156 1255 P CA 0.803 63.920 63.100 0.028 0.000 0.787 1255 P CB 0.143 31.855 31.700 0.018 0.000 0.802 1256 E N 0.514 120.716 120.200 0.004 0.000 2.016 1256 E HA -0.092 4.258 4.350 0.000 0.000 0.190 1256 E C 2.270 178.935 176.600 0.108 0.000 0.985 1256 E CA 1.210 57.618 56.400 0.014 0.000 0.802 1256 E CB -1.412 28.216 29.700 -0.120 0.000 0.762 1256 E HN 0.232 nan 8.360 nan 0.000 0.448 1257 V N 0.497 120.448 119.914 0.062 0.000 2.591 1257 V HA 0.060 4.180 4.120 0.000 0.000 0.249 1257 V C 2.288 178.490 176.094 0.180 0.000 1.053 1257 V CA 1.675 64.080 62.300 0.174 0.000 1.068 1257 V CB -0.361 31.507 31.823 0.075 0.000 0.689 1257 V HN 0.161 nan 8.190 nan 0.000 0.462 1258 A N 2.720 125.620 122.820 0.133 0.000 1.873 1258 A HA -0.267 4.053 4.320 0.000 0.000 0.218 1258 A C 2.411 180.068 177.584 0.122 0.000 1.193 1258 A CA 2.689 54.809 52.037 0.138 0.000 0.629 1258 A CB -0.796 18.272 19.000 0.114 0.000 0.826 1258 A HN 0.790 nan 8.150 nan 0.000 0.447 1259 R N -0.316 120.251 120.500 0.112 0.000 2.081 1259 R HA -0.173 4.167 4.340 0.000 0.000 0.235 1259 R C 1.973 178.326 176.300 0.088 0.000 1.131 1259 R CA 1.796 57.952 56.100 0.093 0.000 0.960 1259 R CB -0.827 29.523 30.300 0.084 0.000 0.856 1259 R HN 0.575 nan 8.270 nan 0.000 0.436 1260 N N 1.180 119.954 118.700 0.124 0.000 2.080 1260 N HA -0.124 4.616 4.740 0.000 0.000 0.189 1260 N C 1.808 177.355 175.510 0.062 0.000 1.036 1260 N CA 1.580 54.675 53.050 0.074 0.000 0.846 1260 N CB -0.067 38.472 38.487 0.087 0.000 1.015 1260 N HN 0.064 nan 8.380 nan 0.000 0.423 1261 V N 0.403 120.385 119.914 0.113 0.000 2.407 1261 V HA -0.120 4.000 4.120 0.000 0.000 0.248 1261 V C 2.030 178.160 176.094 0.060 0.000 1.055 1261 V CA 1.856 64.218 62.300 0.103 0.000 1.049 1261 V CB -0.998 30.936 31.823 0.186 0.000 0.662 1261 V HN 0.524 nan 8.190 nan 0.000 0.455 1262 A N -0.976 121.880 122.820 0.060 0.000 2.275 1262 A HA 0.048 4.368 4.320 0.000 0.000 0.212 1262 A C 2.134 179.731 177.584 0.021 0.000 1.201 1262 A CA 0.602 52.660 52.037 0.034 0.000 0.843 1262 A CB -0.345 18.685 19.000 0.049 0.000 0.873 1262 A HN 0.469 nan 8.150 nan 0.000 0.492 1263 K N 1.036 121.449 120.400 0.021 0.000 2.071 1263 K HA -0.196 4.124 4.320 0.000 0.000 0.217 1263 K C -0.785 175.817 176.600 0.003 0.000 1.054 1263 K CA 2.255 58.548 56.287 0.010 0.000 0.937 1263 K CB -0.779 31.722 32.500 0.002 0.000 0.719 1263 K HN 0.420 nan 8.250 nan 0.000 0.454 1264 P HA -0.153 nan 4.420 nan 0.000 0.217 1264 P C 1.469 178.765 177.300 -0.006 0.000 1.151 1264 P CA 0.940 64.033 63.100 -0.011 0.000 0.828 1264 P CB 0.013 31.692 31.700 -0.035 0.000 0.788 1265 L N -0.585 120.616 121.223 -0.038 0.000 2.156 1265 L HA -0.039 4.301 4.340 0.000 0.000 0.208 1265 L C 2.618 179.500 176.870 0.020 0.000 1.095 1265 L CA 1.175 55.988 54.840 -0.045 0.000 0.770 1265 L CB -1.421 40.600 42.059 -0.064 0.000 0.914 1265 L HN -0.201 nan 8.230 nan 0.000 0.439 1266 V N -1.709 118.217 119.914 0.020 0.000 2.307 1266 V HA -0.247 3.873 4.120 0.000 0.000 0.245 1266 V C 2.673 178.779 176.094 0.019 0.000 1.045 1266 V CA 1.699 64.008 62.300 0.016 0.000 1.024 1266 V CB -0.398 31.431 31.823 0.011 0.000 0.651 1266 V HN 0.511 nan 8.190 nan 0.000 0.449 1267 S N -1.263 114.452 115.700 0.025 0.000 2.365 1267 S HA -0.303 4.167 4.470 0.000 0.000 0.225 1267 S C 1.996 176.623 174.600 0.046 0.000 1.039 1267 S CA 2.271 60.481 58.200 0.018 0.000 1.033 1267 S CB -0.489 62.717 63.200 0.010 0.000 0.887 1267 S HN 0.670 nan 8.310 nan 0.000 0.447 1268 Y N 1.208 121.481 120.300 -0.047 0.000 2.181 1268 Y HA -0.101 4.449 4.550 -0.000 0.000 0.288 1268 Y C 1.992 177.873 175.900 -0.032 0.000 1.146 1268 Y CA 1.581 59.660 58.100 -0.035 0.000 1.164 1268 Y CB -0.096 38.350 38.460 -0.022 0.000 0.982 1268 Y HN 0.272 nan 8.280 nan 0.000 0.515 1269 I N 0.384 121.103 120.570 0.249 0.000 2.315 1269 I HA -0.266 3.904 4.170 0.000 0.000 0.248 1269 I C 2.018 178.172 176.117 0.061 0.000 1.117 1269 I CA 1.666 63.039 61.300 0.122 0.000 1.404 1269 I CB -1.482 36.484 38.000 -0.057 0.000 1.071 1269 I HN 0.327 nan 8.210 nan 0.000 0.419 1270 D N 1.055 121.468 120.400 0.022 0.000 2.117 1270 D HA -0.183 4.457 4.640 0.000 0.000 0.197 1270 D C 2.196 178.492 176.300 -0.006 0.000 0.987 1270 D CA 1.489 55.489 54.000 0.000 0.000 0.829 1270 D CB 0.190 40.973 40.800 -0.028 0.000 0.961 1270 D HN 0.241 nan 8.370 nan 0.000 0.460 1271 K N -0.163 120.207 120.400 -0.050 0.000 2.031 1271 K HA 0.046 4.366 4.320 0.000 0.000 0.205 1271 K C 2.207 178.749 176.600 -0.096 0.000 1.049 1271 K CA 1.005 57.231 56.287 -0.100 0.000 0.939 1271 K CB -0.129 32.258 32.500 -0.189 0.000 0.717 1271 K HN 0.094 nan 8.250 nan 0.000 0.438 1272 A N 0.774 123.539 122.820 -0.091 0.000 1.933 1272 A HA -0.111 4.209 4.320 0.000 0.000 0.218 1272 A C 1.802 179.400 177.584 0.023 0.000 1.175 1272 A CA 1.442 53.459 52.037 -0.034 0.000 0.628 1272 A CB -0.186 18.878 19.000 0.106 0.000 0.814 1272 A HN 0.118 nan 8.150 nan 0.000 0.444 1273 L N -2.005 119.252 121.223 0.058 0.000 2.590 1273 L HA 0.192 4.532 4.340 0.000 0.000 0.227 1273 L C 1.683 178.620 176.870 0.111 0.000 1.099 1273 L CA 1.027 55.919 54.840 0.088 0.000 0.872 1273 L CB 1.017 43.163 42.059 0.146 0.000 1.088 1273 L HN 0.329 nan 8.230 nan 0.000 0.479 1274 V N -2.637 117.327 119.914 0.083 0.000 3.570 1274 V HA -0.003 4.117 4.120 0.000 0.000 0.193 1274 V C 1.994 178.106 176.094 0.029 0.000 1.386 1274 V CA 0.987 63.335 62.300 0.080 0.000 1.285 1274 V CB 0.292 32.183 31.823 0.115 0.000 1.237 1274 V HN 0.321 nan 8.190 nan 0.000 0.553 1275 T N -2.282 112.274 114.554 0.004 0.000 2.857 1275 T HA -0.037 4.313 4.350 0.000 0.000 0.266 1275 T C 0.978 175.657 174.700 -0.035 0.000 1.048 1275 T CA 1.791 63.880 62.100 -0.018 0.000 1.139 1275 T CB -0.339 68.510 68.868 -0.032 0.000 0.874 1275 T HN 0.568 nan 8.240 nan 0.000 0.455 1276 D N 0.327 120.697 120.400 -0.050 0.000 2.623 1276 D HA 0.249 4.889 4.640 0.000 0.000 0.252 1276 D C 1.570 177.834 176.300 -0.060 0.000 1.294 1276 D CA -0.239 53.719 54.000 -0.070 0.000 0.824 1276 D CB 0.458 41.190 40.800 -0.114 0.000 1.070 1276 D HN 0.194 nan 8.370 nan 0.000 0.487 1277 R N 1.115 121.598 120.500 -0.028 0.000 2.134 1277 R HA -0.188 4.152 4.340 0.000 0.000 0.248 1277 R C 1.865 178.150 176.300 -0.025 0.000 1.143 1277 R CA 2.158 58.251 56.100 -0.012 0.000 0.957 1277 R CB -1.211 29.097 30.300 0.012 0.000 0.867 1277 R HN 0.024 nan 8.270 nan 0.000 0.441 1278 T N -1.025 113.512 114.554 -0.030 0.000 2.897 1278 T HA -0.073 4.277 4.350 0.000 0.000 0.271 1278 T C 1.465 176.133 174.700 -0.053 0.000 1.084 1278 T CA 1.823 63.902 62.100 -0.036 0.000 1.123 1278 T CB -0.224 68.623 68.868 -0.035 0.000 0.865 1278 T HN 0.431 nan 8.240 nan 0.000 0.496 1279 S N 0.242 115.899 115.700 -0.072 0.000 2.497 1279 S HA 0.529 4.999 4.470 0.000 0.000 0.221 1279 S C 0.955 175.492 174.600 -0.106 0.000 1.037 1279 S CA 0.109 58.250 58.200 -0.099 0.000 0.920 1279 S CB 0.142 63.267 63.200 -0.126 0.000 0.800 1279 S HN 0.688 nan 8.310 nan 0.000 0.505 1280 A N 4.008 126.774 122.820 -0.090 0.000 2.531 1280 A HA 0.364 4.684 4.320 0.000 0.000 0.236 1280 A C -2.142 175.427 177.584 -0.025 0.000 1.062 1280 A CA -0.865 51.128 52.037 -0.073 0.000 0.760 1280 A CB -0.444 18.535 19.000 -0.035 0.000 0.995 1280 A HN 0.190 nan 8.150 nan 0.000 0.501 1281 P HA 0.108 nan 4.420 nan 0.000 0.271 1281 P C 0.247 177.590 177.300 0.072 0.000 1.216 1281 P CA -0.205 62.932 63.100 0.063 0.000 0.776 1281 P CB 0.771 32.557 31.700 0.143 0.000 0.881 1282 K N 1.363 121.794 120.400 0.052 0.000 2.107 1282 K HA -0.117 4.203 4.320 0.000 0.000 0.211 1282 K C 0.817 177.461 176.600 0.074 0.000 1.049 1282 K CA 1.391 57.700 56.287 0.036 0.000 0.927 1282 K CB -0.264 32.243 32.500 0.011 0.000 0.714 1282 K HN 0.501 nan 8.250 nan 0.000 0.452 1283 I N 0.450 121.087 120.570 0.111 0.000 2.509 1283 I HA 0.147 4.317 4.170 0.000 0.000 0.293 1283 I C -0.666 175.588 176.117 0.228 0.000 1.020 1283 I CA -0.529 60.872 61.300 0.169 0.000 1.088 1283 I CB 2.438 40.547 38.000 0.181 0.000 1.267 1283 I HN -0.151 nan 8.210 nan 0.000 0.430 1284 T N 4.870 119.577 114.554 0.255 0.000 2.916 1284 T HA 0.528 4.878 4.350 0.000 0.000 0.298 1284 T C -0.826 174.029 174.700 0.258 0.000 1.031 1284 T CA -0.506 61.780 62.100 0.309 0.000 0.993 1284 T CB 2.273 71.340 68.868 0.332 0.000 1.045 1284 T HN 0.166 nan 8.240 nan 0.000 0.454 1285 V N 4.071 124.132 119.914 0.244 0.000 2.407 1285 V HA 0.466 4.586 4.120 0.000 0.000 0.291 1285 V C -1.122 175.041 176.094 0.115 0.000 1.018 1285 V CA -0.801 61.571 62.300 0.120 0.000 0.842 1285 V CB 1.404 33.278 31.823 0.085 0.000 0.996 1285 V HN 0.601 nan 8.190 nan 0.000 0.426 1286 L N 6.132 127.391 121.223 0.059 0.000 2.276 1286 L HA 0.545 4.885 4.340 0.000 0.000 0.286 1286 L C -0.124 176.687 176.870 -0.097 0.000 1.024 1286 L CA -0.147 54.730 54.840 0.063 0.000 0.826 1286 L CB 1.756 43.861 42.059 0.075 0.000 1.211 1286 L HN 0.420 nan 8.230 nan 0.000 0.422 1287 V N 4.117 123.846 119.914 -0.308 0.000 2.328 1287 V HA 0.819 4.939 4.120 0.000 0.000 0.278 1287 V C 0.616 176.211 176.094 -0.832 0.000 1.021 1287 V CA -0.130 61.902 62.300 -0.448 0.000 0.838 1287 V CB 0.710 32.321 31.823 -0.354 0.000 0.999 1287 V HN 0.881 nan 8.190 nan 0.000 0.447 1288 G N 3.796 112.223 108.800 -0.623 0.000 3.291 1288 G HA2 0.524 4.484 3.960 0.000 0.000 0.173 1288 G HA3 0.524 4.484 3.960 0.000 0.000 0.173 1288 G C -0.681 173.737 174.900 -0.804 0.000 1.099 1288 G CA -0.355 44.286 45.100 -0.764 0.000 0.794 1288 G HN 0.574 nan 8.290 nan 0.000 0.651 1289 H N -0.244 118.757 119.070 -0.115 0.000 2.771 1289 H HA 0.255 4.811 4.556 0.000 0.000 0.367 1289 H C 0.412 175.681 175.328 -0.099 0.000 1.172 1289 H CA 0.224 56.211 56.048 -0.103 0.000 1.186 1289 H CB 2.229 31.931 29.762 -0.100 0.000 1.790 1289 H HN 0.637 nan 8.280 nan 0.000 0.556 1290 D N -0.270 120.154 120.400 0.040 0.000 2.218 1290 D HA -0.182 4.458 4.640 0.000 0.000 0.204 1290 D C 1.425 177.676 176.300 -0.082 0.000 0.976 1290 D CA 1.487 55.489 54.000 0.004 0.000 0.853 1290 D CB -0.122 40.706 40.800 0.046 0.000 0.939 1290 D HN 0.353 nan 8.370 nan 0.000 0.481 1291 S N -0.706 114.859 115.700 -0.226 0.000 2.481 1291 S HA -0.092 4.378 4.470 0.000 0.000 0.231 1291 S C 1.557 175.864 174.600 -0.489 0.000 0.996 1291 S CA 0.609 58.377 58.200 -0.721 0.000 0.942 1291 S CB -0.665 61.698 63.200 -1.395 0.000 0.768 1291 S HN 0.377 nan 8.310 nan 0.000 0.520 1292 N N 1.376 119.957 118.700 -0.199 0.000 2.173 1292 N HA 0.107 4.847 4.740 0.000 0.000 0.184 1292 N C 1.475 176.949 175.510 -0.060 0.000 1.025 1292 N CA 1.113 54.112 53.050 -0.085 0.000 0.852 1292 N CB -0.147 38.350 38.487 0.017 0.000 0.998 1292 N HN 0.218 nan 8.380 nan 0.000 0.427 1293 I N 1.727 122.260 120.570 -0.061 0.000 2.142 1293 I HA -0.203 3.967 4.170 0.000 0.000 0.240 1293 I C 2.551 178.645 176.117 -0.037 0.000 1.078 1293 I CA 0.993 62.254 61.300 -0.065 0.000 1.343 1293 I CB -1.567 36.396 38.000 -0.061 0.000 1.046 1293 I HN 0.104 nan 8.210 nan 0.000 0.405 1294 A N 1.539 124.353 122.820 -0.010 0.000 1.873 1294 A HA -0.249 4.071 4.320 0.000 0.000 0.218 1294 A C 2.592 180.219 177.584 0.072 0.000 1.193 1294 A CA 3.047 55.118 52.037 0.056 0.000 0.629 1294 A CB -1.015 18.047 19.000 0.103 0.000 0.826 1294 A HN 0.583 nan 8.150 nan 0.000 0.447 1295 S N -0.200 115.527 115.700 0.045 0.000 2.355 1295 S HA -0.094 4.376 4.470 0.000 0.000 0.222 1295 S C 1.940 176.587 174.600 0.079 0.000 1.031 1295 S CA 1.207 59.461 58.200 0.089 0.000 0.993 1295 S CB -0.707 62.537 63.200 0.074 0.000 0.859 1295 S HN 0.413 nan 8.310 nan 0.000 0.453 1296 L N 0.722 121.974 121.223 0.049 0.000 2.042 1296 L HA -0.027 4.313 4.340 0.000 0.000 0.210 1296 L C 2.299 179.244 176.870 0.124 0.000 1.076 1296 L CA 1.728 56.615 54.840 0.079 0.000 0.749 1296 L CB -1.111 40.987 42.059 0.064 0.000 0.893 1296 L HN 0.309 nan 8.230 nan 0.000 0.432 1297 L N -0.084 121.159 121.223 0.033 0.000 2.046 1297 L HA -0.162 4.178 4.340 0.000 0.000 0.208 1297 L C 2.622 179.640 176.870 0.248 0.000 1.077 1297 L CA 1.994 56.818 54.840 -0.026 0.000 0.747 1297 L CB -1.273 40.651 42.059 -0.224 0.000 0.896 1297 L HN 0.238 nan 8.230 nan 0.000 0.432 1298 T N -0.783 113.872 114.554 0.168 0.000 2.821 1298 T HA -0.109 4.242 4.350 0.000 0.000 0.267 1298 T C 1.934 176.729 174.700 0.159 0.000 1.046 1298 T CA 1.097 63.296 62.100 0.166 0.000 1.139 1298 T CB -0.304 68.636 68.868 0.121 0.000 0.871 1298 T HN 0.398 nan 8.240 nan 0.000 0.454 1299 A N 1.371 124.278 122.820 0.146 0.000 1.933 1299 A HA 0.064 4.384 4.320 0.000 0.000 0.218 1299 A C 1.934 179.586 177.584 0.113 0.000 1.175 1299 A CA 1.100 53.205 52.037 0.114 0.000 0.628 1299 A CB -0.679 18.378 19.000 0.096 0.000 0.814 1299 A HN 0.516 nan 8.150 nan 0.000 0.444 1300 L N -0.727 120.604 121.223 0.180 0.000 2.653 1300 L HA 0.123 4.463 4.340 0.000 0.000 0.232 1300 L C 0.257 177.189 176.870 0.105 0.000 1.169 1300 L CA 0.189 55.106 54.840 0.129 0.000 0.951 1300 L CB -0.605 41.578 42.059 0.207 0.000 1.181 1300 L HN 0.413 nan 8.230 nan 0.000 0.460 1301 D N 0.231 120.724 120.400 0.154 0.000 2.735 1301 D HA -0.260 4.380 4.640 0.000 0.000 0.235 1301 D C 0.222 176.609 176.300 0.146 0.000 1.175 1301 D CA 0.374 54.451 54.000 0.129 0.000 0.683 1301 D CB -0.670 40.160 40.800 0.051 0.000 1.008 1301 D HN 0.051 nan 8.370 nan 0.000 0.416 1302 F N 0.609 120.616 119.950 0.095 0.000 2.456 1302 F HA 0.311 4.838 4.527 0.000 0.000 0.306 1302 F C 1.741 177.609 175.800 0.113 0.000 1.278 1302 F CA 0.351 58.422 58.000 0.118 0.000 1.264 1302 F CB 0.483 39.575 39.000 0.154 0.000 1.253 1302 F HN -0.140 nan 8.300 nan 0.000 0.554 1303 K N 1.775 122.386 120.400 0.351 0.000 2.156 1303 K HA 0.348 4.668 4.320 0.000 0.000 0.254 1303 K C -2.397 174.365 176.600 0.269 0.000 0.950 1303 K CA -1.820 54.604 56.287 0.228 0.000 0.849 1303 K CB 0.948 33.543 32.500 0.158 0.000 1.100 1303 K HN 0.264 nan 8.250 nan 0.000 0.434 1304 P HA -0.108 nan 4.420 nan 0.000 0.266 1304 P C -1.216 176.156 177.300 0.121 0.000 1.186 1304 P CA 0.533 63.663 63.100 0.050 0.000 0.767 1304 P CB 0.171 31.864 31.700 -0.011 0.000 0.820 1305 Y N -1.635 118.698 120.300 0.054 0.000 2.889 1305 Y HA 0.720 5.270 4.550 0.000 0.000 0.317 1305 Y C -0.895 175.006 175.900 0.003 0.000 1.414 1305 Y CA -1.243 56.883 58.100 0.044 0.000 1.091 1305 Y CB 1.287 39.785 38.460 0.064 0.000 1.358 1305 Y HN 0.375 nan 8.280 nan 0.000 0.487 1306 Q N 1.132 121.079 119.800 0.245 0.000 2.380 1306 Q HA 0.374 4.714 4.340 0.000 0.000 0.245 1306 Q C -2.334 173.728 176.000 0.105 0.000 0.893 1306 Q CA -0.692 55.159 55.803 0.080 0.000 0.922 1306 Q CB 1.895 30.644 28.738 0.019 0.000 1.432 1306 Q HN 0.675 nan 8.270 nan 0.000 0.434 1307 L N 4.787 125.991 121.223 -0.032 0.000 2.325 1307 L HA 0.257 4.597 4.340 0.000 0.000 0.284 1307 L C 0.015 176.787 176.870 -0.164 0.000 1.089 1307 L CA -0.037 54.640 54.840 -0.272 0.000 0.836 1307 L CB -0.254 41.345 42.059 -0.767 0.000 1.184 1307 L HN 0.561 nan 8.230 nan 0.000 0.444 1308 H N 0.287 119.412 119.070 0.093 0.000 2.629 1308 H HA 0.386 4.942 4.556 0.000 0.000 0.357 1308 H C -0.051 175.350 175.328 0.123 0.000 1.121 1308 H CA -0.621 55.476 56.048 0.083 0.000 1.406 1308 H CB 0.313 30.117 29.762 0.071 0.000 1.456 1308 H HN 0.657 nan 8.280 nan 0.000 0.579 1309 D N -1.369 119.152 120.400 0.202 0.000 3.090 1309 D HA -0.203 4.437 4.640 0.000 0.000 0.215 1309 D C -0.521 175.828 176.300 0.081 0.000 1.140 1309 D CA 1.452 55.539 54.000 0.146 0.000 0.937 1309 D CB -1.123 39.803 40.800 0.210 0.000 1.108 1309 D HN 0.714 nan 8.370 nan 0.000 0.420 1310 Q N -0.620 119.185 119.800 0.008 0.000 2.389 1310 Q HA 0.603 4.943 4.340 0.000 0.000 0.277 1310 Q C -0.377 175.567 176.000 -0.093 0.000 1.082 1310 Q CA -0.615 55.146 55.803 -0.071 0.000 0.810 1310 Q CB 1.411 29.999 28.738 -0.250 0.000 1.374 1310 Q HN 0.030 nan 8.270 nan 0.000 0.422 1311 N N 0.393 119.043 118.700 -0.082 0.000 2.294 1311 N HA 0.094 4.834 4.740 0.000 0.000 0.186 1311 N C -0.933 174.542 175.510 -0.058 0.000 1.107 1311 N CA 0.031 53.040 53.050 -0.069 0.000 0.884 1311 N CB 0.684 39.121 38.487 -0.084 0.000 1.030 1311 N HN 0.571 nan 8.380 nan 0.000 0.482 1312 E N 0.420 120.578 120.200 -0.069 0.000 2.166 1312 E HA 0.296 4.646 4.350 0.000 0.000 0.275 1312 E C -0.062 176.464 176.600 -0.123 0.000 0.941 1312 E CA -0.593 55.774 56.400 -0.055 0.000 0.784 1312 E CB 1.738 31.439 29.700 0.002 0.000 1.115 1312 E HN 0.054 nan 8.360 nan 0.000 0.399 1313 R N 1.093 121.547 120.500 -0.076 0.000 2.200 1313 R HA -0.045 4.295 4.340 0.000 0.000 0.234 1313 R C 0.223 176.508 176.300 -0.025 0.000 1.127 1313 R CA 1.065 57.130 56.100 -0.058 0.000 0.989 1313 R CB 0.041 30.320 30.300 -0.035 0.000 0.869 1313 R HN 0.426 nan 8.270 nan 0.000 0.459 1314 T N 1.779 116.317 114.554 -0.027 0.000 3.317 1314 T HA 0.244 4.594 4.350 0.000 0.000 0.361 1314 T C -2.591 172.094 174.700 -0.026 0.000 1.499 1314 T CA -1.369 60.753 62.100 0.038 0.000 1.529 1314 T CB 1.623 70.557 68.868 0.109 0.000 0.997 1314 T HN -0.119 nan 8.240 nan 0.000 0.624 1315 P HA 0.022 nan 4.420 nan 0.000 0.263 1315 P C 1.201 178.485 177.300 -0.026 0.000 1.168 1315 P CA -0.198 62.823 63.100 -0.131 0.000 0.759 1315 P CB 0.488 32.020 31.700 -0.280 0.000 0.782 1316 I N 3.862 124.421 120.570 -0.019 0.000 2.121 1316 I HA -0.253 3.917 4.170 0.000 0.000 0.243 1316 I C 1.752 177.849 176.117 -0.033 0.000 1.047 1316 I CA 2.616 63.907 61.300 -0.015 0.000 1.308 1316 I CB -0.872 37.087 38.000 -0.067 0.000 1.015 1316 I HN 0.537 nan 8.210 nan 0.000 0.410 1317 G N -0.668 108.101 108.800 -0.051 0.000 3.453 1317 G HA2 0.399 4.359 3.960 0.000 0.000 0.263 1317 G HA3 0.399 4.359 3.960 0.000 0.000 0.263 1317 G C 0.685 175.604 174.900 0.031 0.000 1.060 1317 G CA 0.241 45.328 45.100 -0.020 0.000 0.793 1317 G HN 0.663 nan 8.290 nan 0.000 0.532 1318 G N 0.801 109.657 108.800 0.092 0.000 2.594 1318 G HA2 0.469 4.429 3.960 0.000 0.000 0.243 1318 G HA3 0.469 4.429 3.960 0.000 0.000 0.243 1318 G C -0.109 174.897 174.900 0.176 0.000 1.229 1318 G CA -0.357 44.893 45.100 0.251 0.000 0.843 1318 G HN 0.470 nan 8.290 nan 0.000 0.578 1319 K N 0.495 120.960 120.400 0.108 0.000 2.501 1319 K HA 0.420 4.740 4.320 0.000 0.000 0.252 1319 K C -1.158 175.214 176.600 -0.380 0.000 0.934 1319 K CA -0.969 55.225 56.287 -0.154 0.000 0.797 1319 K CB 2.114 34.530 32.500 -0.139 0.000 1.270 1319 K HN 0.324 nan 8.250 nan 0.000 0.431 1320 I N 2.646 122.893 120.570 -0.537 0.000 2.363 1320 I HA 0.064 4.234 4.170 0.000 0.000 0.292 1320 I C -0.429 175.454 176.117 -0.391 0.000 1.075 1320 I CA -0.863 60.044 61.300 -0.655 0.000 1.333 1320 I CB 1.176 38.767 38.000 -0.682 0.000 1.415 1320 I HN 0.283 nan 8.210 nan 0.000 0.502 1321 V N 8.052 127.758 119.914 -0.347 0.000 2.304 1321 V HA 0.252 4.372 4.120 0.000 0.000 0.269 1321 V C -0.090 175.932 176.094 -0.120 0.000 1.036 1321 V CA -0.444 61.773 62.300 -0.138 0.000 0.840 1321 V CB 0.184 31.948 31.823 -0.098 0.000 1.036 1321 V HN 0.348 nan 8.190 nan 0.000 0.466 1322 F N 3.562 123.562 119.950 0.083 0.000 2.427 1322 F HA 0.501 5.028 4.527 -0.000 0.000 0.352 1322 F C 0.740 176.606 175.800 0.110 0.000 1.100 1322 F CA -0.116 57.944 58.000 0.100 0.000 1.191 1322 F CB 1.042 40.108 39.000 0.111 0.000 1.128 1322 F HN 0.452 nan 8.300 nan 0.000 0.533 1323 Q N 3.233 123.214 119.800 0.302 0.000 2.290 1323 Q HA 0.390 4.730 4.340 0.000 0.000 0.269 1323 Q C -0.739 175.423 176.000 0.269 0.000 1.016 1323 Q CA -0.908 55.060 55.803 0.276 0.000 0.754 1323 Q CB 2.584 31.601 28.738 0.466 0.000 1.247 1323 Q HN 0.556 nan 8.270 nan 0.000 0.451 1324 R N 2.229 122.787 120.500 0.097 0.000 2.297 1324 R HA 0.488 4.828 4.340 0.000 0.000 0.308 1324 R C -1.336 175.023 176.300 0.098 0.000 1.029 1324 R CA -0.118 56.063 56.100 0.135 0.000 0.929 1324 R CB 0.737 31.060 30.300 0.039 0.000 1.046 1324 R HN 0.570 nan 8.270 nan 0.000 0.461 1325 W N 1.786 123.177 121.300 0.153 0.000 2.869 1325 W HA 0.392 5.052 4.660 -0.000 0.000 0.345 1325 W C -0.214 176.405 176.519 0.167 0.000 1.191 1325 W CA -0.384 57.057 57.345 0.160 0.000 1.104 1325 W CB 0.912 30.472 29.460 0.167 0.000 1.471 1325 W HN 0.461 nan 8.180 nan 0.000 0.612 1326 H N 1.004 120.265 119.070 0.317 0.000 3.289 1326 H HA 0.153 4.709 4.556 0.000 0.000 0.330 1326 H C -1.714 173.708 175.328 0.156 0.000 1.187 1326 H CA -0.551 55.600 56.048 0.172 0.000 1.601 1326 H CB 0.393 30.215 29.762 0.099 0.000 1.997 1326 H HN 0.284 nan 8.280 nan 0.000 0.489 1327 D N 3.241 123.643 120.400 0.003 0.000 2.338 1327 D HA 0.034 4.674 4.640 0.000 0.000 0.255 1327 D C 1.516 177.765 176.300 -0.085 0.000 1.237 1327 D CA 0.367 54.414 54.000 0.079 0.000 0.883 1327 D CB 1.522 42.390 40.800 0.112 0.000 1.087 1327 D HN 0.616 nan 8.370 nan 0.000 0.485 1328 S N 3.107 118.868 115.700 0.102 0.000 2.402 1328 S HA -0.264 4.206 4.470 0.000 0.000 0.233 1328 S C 1.663 176.264 174.600 0.000 0.000 1.030 1328 S CA 0.752 59.042 58.200 0.151 0.000 1.003 1328 S CB -0.018 63.224 63.200 0.071 0.000 0.813 1328 S HN 0.274 nan 8.310 nan 0.000 0.477 1329 K N 2.817 123.177 120.400 -0.067 0.000 1.980 1329 K HA -0.012 4.308 4.320 0.000 0.000 0.223 1329 K C 2.477 179.054 176.600 -0.038 0.000 1.052 1329 K CA 1.840 58.096 56.287 -0.051 0.000 0.974 1329 K CB -1.496 30.987 32.500 -0.028 0.000 0.734 1329 K HN 0.540 nan 8.250 nan 0.000 0.447 1330 A N 1.103 123.891 122.820 -0.053 0.000 2.168 1330 A HA -0.100 4.220 4.320 0.000 0.000 0.215 1330 A C 0.767 178.299 177.584 -0.086 0.000 1.152 1330 A CA 0.793 52.796 52.037 -0.056 0.000 0.716 1330 A CB -0.483 18.485 19.000 -0.054 0.000 0.794 1330 A HN 0.572 nan 8.150 nan 0.000 0.465 1331 N N -0.703 117.906 118.700 -0.152 0.000 2.740 1331 N HA -0.183 4.557 4.740 0.000 0.000 0.248 1331 N C -0.092 175.266 175.510 -0.253 0.000 1.062 1331 N CA 1.333 54.271 53.050 -0.186 0.000 0.704 1331 N CB -0.976 37.529 38.487 0.030 0.000 0.968 1331 N HN 0.900 nan 8.380 nan 0.000 0.547 1332 R N -1.145 119.129 120.500 -0.377 0.000 2.939 1332 R HA 0.644 4.984 4.340 0.000 0.000 0.254 1332 R C -1.086 175.083 176.300 -0.219 0.000 1.123 1332 R CA -0.972 55.014 56.100 -0.190 0.000 1.020 1332 R CB 1.030 31.279 30.300 -0.085 0.000 1.206 1332 R HN -0.154 nan 8.270 nan 0.000 0.491 1333 D N 0.951 121.342 120.400 -0.015 0.000 2.185 1333 D HA 0.394 5.034 4.640 0.000 0.000 0.247 1333 D C -0.501 175.862 176.300 0.105 0.000 1.027 1333 D CA -0.355 53.697 54.000 0.087 0.000 0.861 1333 D CB 2.057 42.941 40.800 0.140 0.000 1.202 1333 D HN 0.280 nan 8.370 nan 0.000 0.453 1334 L N 1.454 122.785 121.223 0.180 0.000 2.354 1334 L HA 0.504 4.844 4.340 0.000 0.000 0.269 1334 L C -0.387 176.680 176.870 0.329 0.000 1.005 1334 L CA -1.047 53.920 54.840 0.212 0.000 0.819 1334 L CB 1.996 44.136 42.059 0.136 0.000 1.311 1334 L HN 0.189 nan 8.230 nan 0.000 0.423 1335 M N 3.431 123.189 119.600 0.263 0.000 2.364 1335 M HA 0.454 4.934 4.480 0.000 0.000 0.334 1335 M C -1.095 175.340 176.300 0.225 0.000 1.107 1335 M CA -0.314 55.103 55.300 0.195 0.000 0.988 1335 M CB 1.481 34.056 32.600 -0.043 0.000 1.673 1335 M HN 0.438 nan 8.290 nan 0.000 0.441 1336 K N 5.558 126.099 120.400 0.235 0.000 2.637 1336 K HA 0.560 4.880 4.320 0.000 0.000 0.248 1336 K C -2.018 174.628 176.600 0.075 0.000 0.971 1336 K CA -0.321 55.985 56.287 0.032 0.000 0.858 1336 K CB 0.991 33.332 32.500 -0.265 0.000 1.170 1336 K HN 0.864 nan 8.250 nan 0.000 0.443 1337 I N 3.093 123.672 120.570 0.014 0.000 2.353 1337 I HA 0.339 4.508 4.170 0.000 0.000 0.293 1337 I C -0.218 175.842 176.117 -0.095 0.000 0.992 1337 I CA -0.498 60.765 61.300 -0.062 0.000 1.268 1337 I CB 1.648 39.646 38.000 -0.004 0.000 1.387 1337 I HN 0.570 nan 8.210 nan 0.000 0.478 1338 E N 4.489 124.593 120.200 -0.161 0.000 2.314 1338 E HA 0.303 4.653 4.350 0.000 0.000 0.272 1338 E C -1.687 174.819 176.600 -0.157 0.000 0.884 1338 E CA -0.822 55.502 56.400 -0.128 0.000 0.753 1338 E CB 2.948 32.570 29.700 -0.129 0.000 1.213 1338 E HN 0.478 nan 8.360 nan 0.000 0.432 1339 Y N 2.452 122.643 120.300 -0.181 0.000 2.367 1339 Y HA 0.322 4.872 4.550 -0.000 0.000 0.342 1339 Y C -0.744 175.133 175.900 -0.039 0.000 0.979 1339 Y CA -0.687 57.319 58.100 -0.156 0.000 1.161 1339 Y CB 0.766 39.091 38.460 -0.225 0.000 1.155 1339 Y HN 0.207 nan 8.280 nan 0.000 0.503 1340 V N 7.797 127.844 119.914 0.221 0.000 2.435 1340 V HA 0.390 4.510 4.120 0.000 0.000 0.290 1340 V C -0.927 175.269 176.094 0.170 0.000 1.030 1340 V CA -0.537 61.787 62.300 0.041 0.000 0.881 1340 V CB 0.835 32.627 31.823 -0.051 0.000 0.983 1340 V HN 0.741 nan 8.190 nan 0.000 0.445 1341 Y N 2.074 122.316 120.300 -0.098 0.000 2.750 1341 Y HA 0.705 5.255 4.550 0.000 0.000 0.335 1341 Y C -0.992 174.796 175.900 -0.186 0.000 1.252 1341 Y CA -1.510 56.516 58.100 -0.124 0.000 1.064 1341 Y CB 1.365 39.716 38.460 -0.182 0.000 1.321 1341 Y HN 0.442 nan 8.280 nan 0.000 0.451 1342 Q N 1.925 121.707 119.800 -0.030 0.000 2.271 1342 Q HA 0.530 4.870 4.340 0.000 0.000 0.258 1342 Q C -0.120 175.893 176.000 0.021 0.000 0.936 1342 Q CA -0.845 54.890 55.803 -0.114 0.000 0.909 1342 Q CB 1.982 30.654 28.738 -0.109 0.000 1.253 1342 Q HN 0.839 nan 8.270 nan 0.000 0.440 1343 S N 1.170 116.853 115.700 -0.029 0.000 2.650 1343 S HA 0.178 4.648 4.470 0.000 0.000 0.251 1343 S C 1.067 175.688 174.600 0.034 0.000 1.325 1343 S CA -0.016 58.221 58.200 0.063 0.000 0.967 1343 S CB 0.355 63.576 63.200 0.035 0.000 1.000 1343 S HN 0.734 nan 8.310 nan 0.000 0.584 1344 A N 0.787 123.653 122.820 0.076 0.000 1.872 1344 A HA -0.036 4.284 4.320 0.000 0.000 0.214 1344 A C 2.207 179.901 177.584 0.184 0.000 1.187 1344 A CA 1.270 53.409 52.037 0.171 0.000 0.614 1344 A CB -1.243 17.816 19.000 0.099 0.000 0.826 1344 A HN 0.991 nan 8.150 nan 0.000 0.442 1345 E N -0.133 120.131 120.200 0.107 0.000 2.338 1345 E HA -0.219 4.131 4.350 0.000 0.000 0.197 1345 E C 1.715 178.319 176.600 0.006 0.000 1.007 1345 E CA 1.165 57.605 56.400 0.066 0.000 0.849 1345 E CB -0.329 29.395 29.700 0.040 0.000 0.774 1345 E HN 0.757 nan 8.360 nan 0.000 0.506 1346 Q N 0.378 120.167 119.800 -0.017 0.000 2.187 1346 Q HA 0.039 4.379 4.340 0.000 0.000 0.199 1346 Q C 2.231 178.191 176.000 -0.066 0.000 0.957 1346 Q CA 0.813 56.580 55.803 -0.060 0.000 0.857 1346 Q CB 0.137 28.820 28.738 -0.091 0.000 0.929 1346 Q HN 0.387 nan 8.270 nan 0.000 0.453 1347 L N -0.284 120.887 121.223 -0.086 0.000 2.127 1347 L HA -0.038 4.302 4.340 0.000 0.000 0.203 1347 L C 2.558 179.396 176.870 -0.053 0.000 1.080 1347 L CA 0.420 55.175 54.840 -0.143 0.000 0.768 1347 L CB -0.303 41.487 42.059 -0.448 0.000 0.924 1347 L HN 0.100 nan 8.230 nan 0.000 0.444 1348 R N 1.186 121.685 120.500 -0.002 0.000 2.080 1348 R HA -0.143 4.197 4.340 0.000 0.000 0.236 1348 R C 1.598 177.844 176.300 -0.090 0.000 1.137 1348 R CA 1.972 58.020 56.100 -0.087 0.000 0.943 1348 R CB -0.495 29.697 30.300 -0.181 0.000 0.846 1348 R HN 0.442 nan 8.270 nan 0.000 0.431 1349 N N -0.505 118.159 118.700 -0.060 0.000 2.353 1349 N HA 0.110 4.850 4.740 0.000 0.000 0.185 1349 N C 0.153 175.650 175.510 -0.022 0.000 1.098 1349 N CA 0.691 53.713 53.050 -0.047 0.000 0.872 1349 N CB 0.492 38.952 38.487 -0.045 0.000 0.970 1349 N HN 0.238 nan 8.380 nan 0.000 0.467 1350 A N 0.864 123.678 122.820 -0.009 0.000 2.578 1350 A HA -0.190 4.130 4.320 0.000 0.000 0.298 1350 A C -0.725 176.872 177.584 0.021 0.000 1.472 1350 A CA 0.343 52.419 52.037 0.065 0.000 0.734 1350 A CB -1.899 17.162 19.000 0.101 0.000 1.091 1350 A HN 0.249 nan 8.150 nan 0.000 0.426 1351 D N 0.136 120.478 120.400 -0.097 0.000 2.362 1351 D HA 0.488 5.128 4.640 0.000 0.000 0.242 1351 D C 0.753 176.724 176.300 -0.548 0.000 1.132 1351 D CA 1.017 54.883 54.000 -0.223 0.000 0.907 1351 D CB 1.153 41.853 40.800 -0.167 0.000 1.195 1351 D HN 0.978 nan 8.370 nan 0.000 0.429 1352 A N 1.840 124.275 122.820 -0.641 0.000 2.363 1352 A HA 0.410 4.731 4.320 0.000 0.000 0.270 1352 A C -0.639 176.691 177.584 -0.423 0.000 1.121 1352 A CA -0.421 51.056 52.037 -0.933 0.000 0.800 1352 A CB 0.240 18.922 19.000 -0.531 0.000 1.052 1352 A HN 0.330 nan 8.150 nan 0.000 0.493 1353 L N 2.780 123.831 121.223 -0.287 0.000 2.296 1353 L HA 0.653 4.993 4.340 0.000 0.000 0.286 1353 L C 0.755 177.692 176.870 0.111 0.000 1.023 1353 L CA 0.315 55.110 54.840 -0.074 0.000 0.812 1353 L CB 1.485 43.498 42.059 -0.077 0.000 1.223 1353 L HN 0.922 nan 8.230 nan 0.000 0.421 1354 T N -1.189 113.437 114.554 0.121 0.000 2.838 1354 T HA 0.491 4.841 4.350 0.000 0.000 0.292 1354 T C 1.173 175.991 174.700 0.196 0.000 1.113 1354 T CA -0.838 61.341 62.100 0.132 0.000 1.008 1354 T CB 0.734 69.649 68.868 0.079 0.000 1.259 1354 T HN 0.305 nan 8.240 nan 0.000 0.520 1355 L N -0.170 121.116 121.223 0.105 0.000 2.051 1355 L HA -0.137 4.203 4.340 0.000 0.000 0.214 1355 L C 1.267 178.213 176.870 0.126 0.000 1.076 1355 L CA 1.581 56.496 54.840 0.124 0.000 0.758 1355 L CB -0.487 41.599 42.059 0.046 0.000 0.890 1355 L HN 0.687 nan 8.230 nan 0.000 0.433 1356 Q N -0.834 119.012 119.800 0.076 0.000 2.235 1356 Q HA 0.485 4.825 4.340 0.000 0.000 0.250 1356 Q C 0.459 176.480 176.000 0.036 0.000 0.909 1356 Q CA 0.202 56.034 55.803 0.048 0.000 0.910 1356 Q CB 1.330 30.086 28.738 0.029 0.000 1.223 1356 Q HN 0.258 nan 8.270 nan 0.000 0.432 1357 A N 1.910 124.735 122.820 0.007 0.000 2.648 1357 A HA -0.111 4.209 4.320 0.000 0.000 0.297 1357 A C -2.334 175.222 177.584 -0.046 0.000 1.467 1357 A CA -0.069 51.948 52.037 -0.032 0.000 0.731 1357 A CB -1.701 17.275 19.000 -0.041 0.000 1.085 1357 A HN 0.529 nan 8.150 nan 0.000 0.437 1358 P HA 0.581 nan 4.420 nan 0.000 0.279 1358 P C 0.394 177.401 177.300 -0.487 0.000 1.276 1358 P CA 0.268 63.272 63.100 -0.161 0.000 0.801 1358 P CB 1.035 32.785 31.700 0.084 0.000 1.127 1359 A N 1.182 123.350 122.820 -1.088 0.000 2.346 1359 A HA 0.193 4.513 4.320 0.000 0.000 0.252 1359 A C 0.558 177.768 177.584 -0.624 0.000 1.089 1359 A CA -0.242 51.293 52.037 -0.836 0.000 0.797 1359 A CB -0.385 18.019 19.000 -0.994 0.000 1.047 1359 A HN 0.492 nan 8.150 nan 0.000 0.494 1360 Q N 0.472 119.864 119.800 -0.680 0.000 2.373 1360 Q HA 0.371 4.711 4.340 0.000 0.000 0.255 1360 Q C -0.385 175.174 176.000 -0.734 0.000 0.980 1360 Q CA 0.509 55.878 55.803 -0.724 0.000 0.882 1360 Q CB 0.731 28.751 28.738 -1.195 0.000 1.249 1360 Q HN 0.658 nan 8.270 nan 0.000 0.438 1361 R N 0.053 120.351 120.500 -0.337 0.000 2.725 1361 R HA 0.783 5.123 4.340 0.000 0.000 0.277 1361 R C -1.145 175.170 176.300 0.025 0.000 0.987 1361 R CA -0.885 55.117 56.100 -0.163 0.000 0.901 1361 R CB 2.007 32.240 30.300 -0.111 0.000 1.207 1361 R HN 0.306 nan 8.270 nan 0.000 0.463 1362 V N 1.109 121.059 119.914 0.060 0.000 2.653 1362 V HA 0.149 4.269 4.120 0.000 0.000 0.298 1362 V C -0.218 175.903 176.094 0.045 0.000 1.097 1362 V CA -0.861 61.498 62.300 0.098 0.000 0.908 1362 V CB 2.084 33.983 31.823 0.127 0.000 1.024 1362 V HN 0.950 nan 8.190 nan 0.000 0.435 1363 T N 5.554 120.121 114.554 0.020 0.000 2.814 1363 T HA 0.651 5.001 4.350 0.000 0.000 0.297 1363 T C -0.072 174.647 174.700 0.032 0.000 0.956 1363 T CA -0.128 61.965 62.100 -0.013 0.000 1.123 1363 T CB 0.248 69.078 68.868 -0.062 0.000 0.902 1363 T HN 0.405 nan 8.240 nan 0.000 0.528 1364 L N 2.657 123.908 121.223 0.047 0.000 2.472 1364 L HA 0.714 5.054 4.340 0.000 0.000 0.256 1364 L C 0.465 177.439 176.870 0.173 0.000 1.111 1364 L CA -1.022 53.917 54.840 0.165 0.000 0.800 1364 L CB 0.747 42.958 42.059 0.253 0.000 1.286 1364 L HN 0.815 nan 8.230 nan 0.000 0.479 1365 E N 0.324 120.656 120.200 0.220 0.000 2.381 1365 E HA 0.359 4.709 4.350 0.000 0.000 0.286 1365 E C -1.995 174.521 176.600 -0.141 0.000 0.960 1365 E CA -0.698 55.713 56.400 0.017 0.000 0.793 1365 E CB 1.771 31.500 29.700 0.049 0.000 1.225 1365 E HN 0.245 nan 8.360 nan 0.000 0.420 1366 L N 2.206 123.246 121.223 -0.305 0.000 2.416 1366 L HA 0.352 4.692 4.340 0.000 0.000 0.262 1366 L C 1.273 178.076 176.870 -0.112 0.000 1.093 1366 L CA 0.205 54.843 54.840 -0.337 0.000 0.801 1366 L CB 1.503 43.339 42.059 -0.372 0.000 1.191 1366 L HN 0.692 nan 8.230 nan 0.000 0.459 1367 S N 0.176 115.833 115.700 -0.071 0.000 2.470 1367 S HA 0.007 4.477 4.470 0.000 0.000 0.225 1367 S C 1.480 176.067 174.600 -0.022 0.000 1.006 1367 S CA 0.776 58.964 58.200 -0.020 0.000 0.934 1367 S CB -0.012 63.189 63.200 0.001 0.000 0.778 1367 S HN 0.898 nan 8.310 nan 0.000 0.517 1368 G N -0.949 107.825 108.800 -0.044 0.000 3.088 1368 G HA2 0.100 4.060 3.960 0.000 0.000 0.217 1368 G HA3 0.100 4.060 3.960 0.000 0.000 0.217 1368 G C 0.205 175.099 174.900 -0.010 0.000 1.159 1368 G CA 0.040 45.122 45.100 -0.030 0.000 0.760 1368 G HN 0.479 nan 8.290 nan 0.000 0.550 1369 c N 1.931 120.526 118.600 -0.009 0.000 3.335 1369 c HA 0.464 5.034 4.570 0.000 0.000 0.217 1369 c C -2.537 171.572 174.090 0.032 0.000 1.330 1369 c CA -2.129 54.224 56.329 0.039 0.000 1.470 1369 c CB 0.080 42.646 42.510 0.094 0.000 1.806 1369 c HN 0.109 nan 8.230 nan 0.000 0.468 1370 P HA 0.146 nan 4.420 nan 0.000 0.262 1370 P C -0.010 177.314 177.300 0.040 0.000 1.199 1370 P CA 0.701 63.819 63.100 0.029 0.000 0.763 1370 P CB 0.356 32.072 31.700 0.026 0.000 0.790 1371 I N 3.199 123.790 120.570 0.034 0.000 2.764 1371 I HA 0.111 4.281 4.170 0.000 0.000 0.294 1371 I C 0.987 177.126 176.117 0.037 0.000 1.045 1371 I CA -0.159 61.162 61.300 0.035 0.000 1.340 1371 I CB 0.860 38.867 38.000 0.012 0.000 1.436 1371 I HN 0.429 nan 8.210 nan 0.000 0.567 1372 D N 3.365 123.795 120.400 0.050 0.000 2.478 1372 D HA 0.349 4.989 4.640 0.000 0.000 0.263 1372 D C 0.843 177.165 176.300 0.037 0.000 1.153 1372 D CA -0.449 53.580 54.000 0.048 0.000 1.038 1372 D CB 0.770 41.609 40.800 0.066 0.000 1.120 1372 D HN 0.502 nan 8.370 nan 0.000 0.564 1373 A N -0.044 122.795 122.820 0.031 0.000 1.997 1373 A HA -0.250 4.070 4.320 0.000 0.000 0.221 1373 A C 1.523 179.120 177.584 0.022 0.000 1.172 1373 A CA 2.053 54.103 52.037 0.022 0.000 0.645 1373 A CB -0.814 18.196 19.000 0.016 0.000 0.813 1373 A HN 0.628 nan 8.150 nan 0.000 0.454 1374 D N -1.836 118.596 120.400 0.053 0.000 2.106 1374 D HA 0.212 4.852 4.640 0.000 0.000 0.203 1374 D C 1.525 177.791 176.300 -0.058 0.000 0.977 1374 D CA 1.758 55.799 54.000 0.068 0.000 0.844 1374 D CB -0.261 40.691 40.800 0.255 0.000 1.002 1374 D HN 0.654 nan 8.370 nan 0.000 0.461 1375 G N -0.587 108.155 108.800 -0.097 0.000 3.268 1375 G HA2 -0.037 3.923 3.960 0.000 0.000 0.220 1375 G HA3 -0.037 3.923 3.960 0.000 0.000 0.220 1375 G C -0.308 174.331 174.900 -0.435 0.000 0.942 1375 G CA -0.662 44.269 45.100 -0.281 0.000 0.918 1375 G HN 0.105 nan 8.290 nan 0.000 0.658 1376 F N 0.307 120.209 119.950 -0.079 0.000 2.440 1376 F HA 0.786 5.313 4.527 0.000 0.000 0.328 1376 F C 0.747 176.536 175.800 -0.019 0.000 1.070 1376 F CA -0.861 57.094 58.000 -0.075 0.000 1.011 1376 F CB 1.818 40.726 39.000 -0.154 0.000 1.226 1376 F HN 0.167 nan 8.300 nan 0.000 0.491 1377 c N 3.845 122.567 118.600 0.203 0.000 2.797 1377 c HA 0.602 5.172 4.570 0.000 0.000 0.306 1377 c C -2.659 171.519 174.090 0.148 0.000 1.207 1377 c CA -2.483 53.933 56.329 0.144 0.000 1.507 1377 c CB 1.732 44.320 42.510 0.130 0.000 2.028 1377 c HN 0.584 nan 8.230 nan 0.000 0.475 1378 P HA 0.028 nan 4.420 nan 0.000 0.261 1378 P C 0.643 178.023 177.300 0.132 0.000 1.203 1378 P CA 0.578 63.739 63.100 0.101 0.000 0.767 1378 P CB 0.444 32.188 31.700 0.074 0.000 0.785 1379 M N 4.091 123.769 119.600 0.130 0.000 2.116 1379 M HA -0.237 4.243 4.480 0.000 0.000 0.255 1379 M C 1.334 177.741 176.300 0.179 0.000 1.075 1379 M CA 1.911 57.300 55.300 0.148 0.000 1.087 1379 M CB -1.203 31.466 32.600 0.116 0.000 1.340 1379 M HN 0.257 nan 8.290 nan 0.000 0.402 1380 D N -0.178 120.298 120.400 0.128 0.000 2.133 1380 D HA -0.200 4.440 4.640 0.000 0.000 0.195 1380 D C 1.908 178.277 176.300 0.116 0.000 0.997 1380 D CA 1.566 55.632 54.000 0.110 0.000 0.840 1380 D CB -0.170 40.673 40.800 0.073 0.000 0.947 1380 D HN 0.516 nan 8.370 nan 0.000 0.452 1381 K N -0.164 120.307 120.400 0.119 0.000 2.097 1381 K HA -0.123 4.197 4.320 0.000 0.000 0.205 1381 K C 2.122 178.790 176.600 0.113 0.000 1.050 1381 K CA 0.442 56.786 56.287 0.094 0.000 0.938 1381 K CB -0.290 32.260 32.500 0.082 0.000 0.718 1381 K HN 0.101 nan 8.250 nan 0.000 0.442 1382 F N 3.108 123.077 119.950 0.032 0.000 2.065 1382 F HA -0.293 4.234 4.527 0.000 0.000 0.298 1382 F C 1.567 177.378 175.800 0.019 0.000 1.112 1382 F CA 1.863 59.882 58.000 0.031 0.000 1.212 1382 F CB -0.225 38.815 39.000 0.066 0.000 0.975 1382 F HN 0.020 nan 8.300 nan 0.000 0.476 1383 D N 0.011 120.561 120.400 0.249 0.000 2.133 1383 D HA -0.200 4.440 4.640 0.000 0.000 0.192 1383 D C 2.477 178.765 176.300 -0.020 0.000 1.001 1383 D CA 1.822 55.892 54.000 0.117 0.000 0.844 1383 D CB -0.746 40.136 40.800 0.137 0.000 0.944 1383 D HN 0.297 nan 8.370 nan 0.000 0.447 1384 S N -0.066 115.629 115.700 -0.009 0.000 2.353 1384 S HA -0.140 4.330 4.470 0.000 0.000 0.222 1384 S C 2.386 176.937 174.600 -0.082 0.000 1.035 1384 S CA 1.025 59.206 58.200 -0.031 0.000 1.025 1384 S CB -0.488 62.706 63.200 -0.011 0.000 0.902 1384 S HN 0.106 nan 8.310 nan 0.000 0.440 1385 V N 1.782 121.615 119.914 -0.135 0.000 2.252 1385 V HA -0.202 3.918 4.120 0.000 0.000 0.249 1385 V C 2.286 178.251 176.094 -0.215 0.000 1.056 1385 V CA 1.727 63.917 62.300 -0.184 0.000 1.022 1385 V CB -0.798 30.866 31.823 -0.265 0.000 0.641 1385 V HN 0.290 nan 8.190 nan 0.000 0.445 1386 L N 0.265 121.292 121.223 -0.327 0.000 2.027 1386 L HA -0.107 4.233 4.340 0.000 0.000 0.206 1386 L C 2.277 179.071 176.870 -0.127 0.000 1.074 1386 L CA 1.767 56.451 54.840 -0.260 0.000 0.745 1386 L CB -0.983 40.879 42.059 -0.329 0.000 0.898 1386 L HN 0.323 nan 8.230 nan 0.000 0.433 1387 N N -0.710 117.934 118.700 -0.093 0.000 2.289 1387 N HA -0.188 4.552 4.740 0.000 0.000 0.184 1387 N C 1.818 177.301 175.510 -0.045 0.000 1.016 1387 N CA 0.780 53.799 53.050 -0.051 0.000 0.872 1387 N CB 0.084 38.552 38.487 -0.030 0.000 0.973 1387 N HN 0.336 nan 8.380 nan 0.000 0.433 1388 E N 0.808 120.975 120.200 -0.055 0.000 2.051 1388 E HA 0.135 4.485 4.350 0.000 0.000 0.189 1388 E C 1.858 178.437 176.600 -0.035 0.000 0.979 1388 E CA 0.865 57.241 56.400 -0.040 0.000 0.803 1388 E CB -0.272 29.401 29.700 -0.044 0.000 0.761 1388 E HN 0.260 nan 8.360 nan 0.000 0.451 1389 A N 0.136 122.927 122.820 -0.049 0.000 1.908 1389 A HA -0.170 4.150 4.320 0.000 0.000 0.218 1389 A C 2.410 179.982 177.584 -0.020 0.000 1.181 1389 A CA 1.658 53.676 52.037 -0.032 0.000 0.627 1389 A CB -0.811 18.162 19.000 -0.045 0.000 0.818 1389 A HN 0.191 nan 8.150 nan 0.000 0.445 1390 V N 0.388 120.285 119.914 -0.028 0.000 2.594 1390 V HA -0.174 3.946 4.120 0.000 0.000 0.253 1390 V C 1.402 177.488 176.094 -0.014 0.000 1.069 1390 V CA 1.425 63.713 62.300 -0.020 0.000 1.082 1390 V CB -0.779 31.028 31.823 -0.026 0.000 0.680 1390 V HN 0.485 nan 8.190 nan 0.000 0.469 1391 K N 0.000 120.392 120.400 -0.014 0.000 2.780 1391 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1391 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 1391 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 1391 K HN 0.000 nan 8.250 nan 0.000 0.543