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 2po3_1_A DATA FIRST_RESID 1003 DATA SEQUENCE SALSDLAFFG GPAAFDQPLL VGRPNRIDRA RLYERLDRAL DSQWLSNGGP DATA SEQUENCE LVREFEERVA GLAGVRHAVA TCNATAGLQL LAHAAGLTGE VIMPSMTFAA DATA SEQUENCE TPHALRWIGL TPVFADIDPD TGNLDPDQVA AAVTPRTSAV VGVHLWGRPC DATA SEQUENCE AADQLRKVAD EHGLRLYFDA AHALGCAVDG RPAGSLGDAE VFSFHATKAV DATA SEQUENCE NAFEGGAVVT DDADLAARIR ALHNFGFDLP GGSPAGGTNA KMSEAAAAMG DATA SEQUENCE LTSLDAFPEV IDRNRRNHAA YREHLADLPG VLVADHDRHG LNNHQYVIVE DATA SEQUENCE IDEATTGIHR DLVMEVLKAE GVHTRAYFSP GCHELEPYRG QPHAPLPHTE DATA SEQUENCE RLAARVLSLP TGTAIGDDDI RRVADLLRLC ATRGRELTAR HRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1003 S HA 0.000 nan 4.470 nan 0.000 0.327 1003 S C 0.000 174.598 174.600 -0.004 0.000 1.055 1003 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 1003 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 1004 A N 3.517 126.343 122.820 0.009 0.000 2.209 1004 A HA 0.171 4.492 4.320 0.002 0.000 0.212 1004 A C 1.561 179.183 177.584 0.063 0.000 1.158 1004 A CA 0.681 52.737 52.037 0.030 0.000 0.742 1004 A CB -0.480 18.537 19.000 0.029 0.000 0.790 1004 A HN 0.765 nan 8.150 nan 0.000 0.472 1005 L N -0.338 120.914 121.223 0.048 0.000 2.156 1005 L HA -0.101 4.241 4.340 0.002 0.000 0.208 1005 L C 2.400 179.379 176.870 0.181 0.000 1.095 1005 L CA 1.446 56.352 54.840 0.110 0.000 0.770 1005 L CB -0.659 41.353 42.059 -0.079 0.000 0.914 1005 L HN 0.370 nan 8.230 nan 0.000 0.439 1006 S N -0.533 115.205 115.700 0.064 0.000 2.461 1006 S HA -0.088 4.383 4.470 0.002 0.000 0.228 1006 S C 1.177 175.855 174.600 0.130 0.000 1.005 1006 S CA 0.699 58.956 58.200 0.096 0.000 0.942 1006 S CB -0.226 62.986 63.200 0.020 0.000 0.776 1006 S HN 0.414 nan 8.310 nan 0.000 0.514 1007 D N 1.561 122.023 120.400 0.104 0.000 2.363 1007 D HA 0.096 4.737 4.640 0.002 0.000 0.220 1007 D C 0.271 176.640 176.300 0.115 0.000 0.994 1007 D CA 0.193 54.243 54.000 0.082 0.000 0.890 1007 D CB -0.298 40.531 40.800 0.048 0.000 0.906 1007 D HN 0.373 nan 8.370 nan 0.000 0.530 1008 L N 1.113 122.455 121.223 0.199 0.000 2.477 1008 L HA 0.118 4.459 4.340 0.002 0.000 0.272 1008 L C 1.673 178.655 176.870 0.187 0.000 1.157 1008 L CA -0.547 54.428 54.840 0.225 0.000 0.889 1008 L CB 0.930 43.214 42.059 0.374 0.000 1.158 1008 L HN -0.064 nan 8.230 nan 0.000 0.473 1009 A N 4.217 127.106 122.820 0.114 0.000 2.024 1009 A HA -0.251 4.070 4.320 0.002 0.000 0.220 1009 A C 1.962 179.566 177.584 0.034 0.000 1.164 1009 A CA 1.398 53.476 52.037 0.068 0.000 0.643 1009 A CB -0.566 18.465 19.000 0.053 0.000 0.806 1009 A HN 0.818 nan 8.150 nan 0.000 0.451 1010 F N -0.742 119.122 119.950 -0.143 0.000 2.171 1010 F HA -0.077 4.451 4.527 0.002 0.000 0.300 1010 F C 1.377 176.936 175.800 -0.403 0.000 1.090 1010 F CA 1.309 59.110 58.000 -0.332 0.000 1.293 1010 F CB -0.180 38.504 39.000 -0.527 0.000 1.013 1010 F HN 0.215 nan 8.300 nan 0.000 0.486 1011 F N -0.090 119.912 119.950 0.087 0.000 2.692 1011 F HA 0.283 4.811 4.527 0.002 0.000 0.303 1011 F C 1.681 177.467 175.800 -0.023 0.000 1.114 1011 F CA 0.424 58.437 58.000 0.021 0.000 1.361 1011 F CB 0.113 39.182 39.000 0.116 0.000 1.063 1011 F HN 0.142 nan 8.300 nan 0.000 0.550 1012 G N 0.174 109.013 108.800 0.065 0.000 2.175 1012 G HA2 -0.225 3.736 3.960 0.002 0.000 0.244 1012 G HA3 -0.225 3.736 3.960 0.002 0.000 0.244 1012 G C 0.787 175.721 174.900 0.056 0.000 0.982 1012 G CA -0.280 44.843 45.100 0.038 0.000 0.641 1012 G HN 0.680 nan 8.290 nan 0.000 0.527 1013 G N 0.247 109.102 108.800 0.091 0.000 2.525 1013 G HA2 0.576 4.538 3.960 0.002 0.000 0.276 1013 G HA3 0.576 4.538 3.960 0.002 0.000 0.276 1013 G C -2.149 172.776 174.900 0.042 0.000 1.388 1013 G CA -0.216 44.926 45.100 0.070 0.000 1.050 1013 G HN 0.315 nan 8.290 nan 0.000 0.520 1014 P HA 0.421 nan 4.420 nan 0.000 0.292 1014 P C -0.604 176.701 177.300 0.010 0.000 1.287 1014 P CA -0.349 62.756 63.100 0.009 0.000 0.800 1014 P CB 1.431 33.124 31.700 -0.010 0.000 0.945 1015 A N 3.277 126.106 122.820 0.014 0.000 2.451 1015 A HA 0.399 4.720 4.320 0.002 0.000 0.266 1015 A C 1.693 179.274 177.584 -0.006 0.000 1.119 1015 A CA 0.241 52.297 52.037 0.031 0.000 0.786 1015 A CB -0.308 18.722 19.000 0.050 0.000 1.061 1015 A HN 0.604 nan 8.150 nan 0.000 0.503 1016 A N 3.081 125.899 122.820 -0.005 0.000 1.958 1016 A HA 0.109 4.430 4.320 0.002 0.000 0.221 1016 A C 0.445 177.711 177.584 -0.531 0.000 1.178 1016 A CA 1.348 53.256 52.037 -0.214 0.000 0.642 1016 A CB -0.393 18.538 19.000 -0.115 0.000 0.816 1016 A HN 0.750 nan 8.150 nan 0.000 0.453 1017 F N -2.926 117.024 119.950 -0.000 0.000 2.603 1017 F HA 0.443 4.971 4.527 0.002 0.000 0.317 1017 F C 0.456 176.261 175.800 0.009 0.000 1.066 1017 F CA -0.946 57.055 58.000 0.001 0.000 0.941 1017 F CB 1.409 40.407 39.000 -0.004 0.000 1.291 1017 F HN -0.144 nan 8.300 nan 0.000 0.472 1018 D N -0.454 120.070 120.400 0.207 0.000 2.271 1018 D HA -0.043 4.598 4.640 0.002 0.000 0.206 1018 D C 0.551 176.926 176.300 0.125 0.000 0.967 1018 D CA 0.867 54.943 54.000 0.126 0.000 0.867 1018 D CB 0.084 40.934 40.800 0.084 0.000 0.960 1018 D HN 0.389 nan 8.370 nan 0.000 0.509 1019 Q N 1.780 121.667 119.800 0.144 0.000 2.337 1019 Q HA 0.245 4.586 4.340 0.002 0.000 0.255 1019 Q C -2.548 173.498 176.000 0.077 0.000 0.997 1019 Q CA -1.774 54.083 55.803 0.090 0.000 0.925 1019 Q CB 1.226 29.999 28.738 0.059 0.000 1.212 1019 Q HN -0.131 nan 8.270 nan 0.000 0.436 1020 P HA 0.098 nan 4.420 nan 0.000 0.271 1020 P C -1.091 176.272 177.300 0.106 0.000 1.216 1020 P CA 0.169 63.347 63.100 0.131 0.000 0.771 1020 P CB 0.577 32.369 31.700 0.153 0.000 0.864 1021 L N 3.925 125.226 121.223 0.130 0.000 2.313 1021 L HA 0.536 4.877 4.340 0.002 0.000 0.283 1021 L C -0.070 176.913 176.870 0.187 0.000 1.013 1021 L CA -0.607 54.289 54.840 0.094 0.000 0.816 1021 L CB 1.079 43.150 42.059 0.020 0.000 1.236 1021 L HN 0.196 nan 8.230 nan 0.000 0.419 1022 L N 3.719 125.017 121.223 0.125 0.000 2.409 1022 L HA 0.459 4.800 4.340 0.002 0.000 0.272 1022 L C -0.183 176.737 176.870 0.083 0.000 0.980 1022 L CA -0.766 54.149 54.840 0.125 0.000 0.826 1022 L CB 2.573 44.663 42.059 0.052 0.000 1.268 1022 L HN 0.331 nan 8.230 nan 0.000 0.407 1023 V N 3.864 123.827 119.914 0.082 0.000 2.740 1023 V HA 0.467 4.588 4.120 0.002 0.000 0.303 1023 V C 1.124 177.271 176.094 0.089 0.000 1.054 1023 V CA 1.483 63.825 62.300 0.070 0.000 1.106 1023 V CB 0.979 32.828 31.823 0.043 0.000 0.957 1023 V HN 1.025 nan 8.190 nan 0.000 0.486 1024 G N 4.609 113.457 108.800 0.081 0.000 2.194 1024 G HA2 -0.240 3.722 3.960 0.002 0.000 0.236 1024 G HA3 -0.240 3.722 3.960 0.002 0.000 0.236 1024 G C 0.541 175.473 174.900 0.052 0.000 0.987 1024 G CA 0.286 45.437 45.100 0.086 0.000 0.635 1024 G HN 0.939 nan 8.290 nan 0.000 0.520 1025 R N 1.725 122.248 120.500 0.039 0.000 2.480 1025 R HA 0.305 4.646 4.340 0.002 0.000 0.303 1025 R C -1.969 174.335 176.300 0.007 0.000 0.985 1025 R CA -0.833 55.281 56.100 0.024 0.000 1.051 1025 R CB 0.239 30.553 30.300 0.023 0.000 0.935 1025 R HN 0.157 nan 8.270 nan 0.000 0.410 1026 P HA -0.002 nan 4.420 nan 0.000 0.268 1026 P C -0.923 176.362 177.300 -0.025 0.000 1.204 1026 P CA -0.058 63.025 63.100 -0.029 0.000 0.768 1026 P CB 0.445 32.117 31.700 -0.048 0.000 0.842 1027 N N 2.966 121.648 118.700 -0.030 0.000 2.497 1027 N HA 0.089 4.830 4.740 0.002 0.000 0.268 1027 N C 0.598 176.089 175.510 -0.032 0.000 1.171 1027 N CA 0.025 53.063 53.050 -0.019 0.000 0.948 1027 N CB 0.444 38.928 38.487 -0.006 0.000 1.069 1027 N HN 0.275 nan 8.380 nan 0.000 0.460 1028 R N 1.219 121.705 120.500 -0.023 0.000 2.784 1028 R HA 0.222 4.563 4.340 0.002 0.000 0.266 1028 R C 0.309 176.582 176.300 -0.044 0.000 1.044 1028 R CA 0.064 56.145 56.100 -0.032 0.000 1.151 1028 R CB 0.226 30.514 30.300 -0.021 0.000 1.037 1028 R HN 0.555 nan 8.270 nan 0.000 0.478 1029 I N -2.691 117.842 120.570 -0.062 0.000 3.145 1029 I HA 0.269 4.440 4.170 0.002 0.000 0.313 1029 I C -0.506 175.568 176.117 -0.071 0.000 1.122 1029 I CA -1.092 60.164 61.300 -0.074 0.000 0.987 1029 I CB 1.302 39.232 38.000 -0.118 0.000 1.236 1029 I HN 0.241 nan 8.210 nan 0.000 0.453 1030 D N 1.739 122.097 120.400 -0.069 0.000 2.383 1030 D HA 0.172 4.814 4.640 0.002 0.000 0.245 1030 D C 1.094 177.334 176.300 -0.100 0.000 1.263 1030 D CA 0.220 54.184 54.000 -0.060 0.000 0.936 1030 D CB 0.559 41.335 40.800 -0.041 0.000 1.053 1030 D HN 0.601 nan 8.370 nan 0.000 0.507 1031 R N 2.660 123.093 120.500 -0.111 0.000 2.133 1031 R HA -0.234 4.107 4.340 0.002 0.000 0.247 1031 R C 1.903 178.090 176.300 -0.189 0.000 1.151 1031 R CA 1.768 57.742 56.100 -0.209 0.000 0.971 1031 R CB 0.013 30.241 30.300 -0.120 0.000 0.866 1031 R HN 0.528 nan 8.270 nan 0.000 0.447 1032 A N 0.562 123.361 122.820 -0.035 0.000 1.902 1032 A HA -0.165 4.156 4.320 0.002 0.000 0.217 1032 A C 2.069 179.662 177.584 0.015 0.000 1.181 1032 A CA 1.196 53.256 52.037 0.039 0.000 0.623 1032 A CB -0.367 18.658 19.000 0.041 0.000 0.818 1032 A HN 0.105 nan 8.150 nan 0.000 0.443 1033 R N -0.727 119.755 120.500 -0.030 0.000 2.075 1033 R HA -0.068 4.273 4.340 0.002 0.000 0.232 1033 R C 2.043 178.315 176.300 -0.047 0.000 1.126 1033 R CA 1.419 57.501 56.100 -0.029 0.000 0.963 1033 R CB -1.386 28.892 30.300 -0.037 0.000 0.858 1033 R HN 0.541 nan 8.270 nan 0.000 0.435 1034 L N -0.112 121.036 121.223 -0.124 0.000 2.017 1034 L HA -0.175 4.166 4.340 0.002 0.000 0.208 1034 L C 1.832 178.669 176.870 -0.056 0.000 1.073 1034 L CA 1.814 56.558 54.840 -0.159 0.000 0.745 1034 L CB -0.798 41.066 42.059 -0.326 0.000 0.894 1034 L HN 0.102 nan 8.230 nan 0.000 0.432 1035 Y N 0.566 120.878 120.300 0.020 0.000 2.224 1035 Y HA -0.186 4.365 4.550 0.002 0.000 0.289 1035 Y C 2.574 178.483 175.900 0.015 0.000 1.146 1035 Y CA 1.363 59.475 58.100 0.021 0.000 1.182 1035 Y CB -0.888 37.584 38.460 0.020 0.000 0.983 1035 Y HN 0.370 nan 8.280 nan 0.000 0.524 1036 E N -0.043 120.248 120.200 0.152 0.000 2.038 1036 E HA -0.251 4.100 4.350 0.002 0.000 0.195 1036 E C 2.342 178.985 176.600 0.071 0.000 1.000 1036 E CA 1.309 57.764 56.400 0.091 0.000 0.803 1036 E CB -0.241 29.491 29.700 0.054 0.000 0.750 1036 E HN 0.420 nan 8.360 nan 0.000 0.448 1037 R N 0.410 120.942 120.500 0.054 0.000 2.096 1037 R HA -0.163 4.178 4.340 0.002 0.000 0.240 1037 R C 2.520 178.850 176.300 0.050 0.000 1.139 1037 R CA 1.266 57.384 56.100 0.031 0.000 0.952 1037 R CB -0.355 29.946 30.300 0.002 0.000 0.854 1037 R HN 0.211 nan 8.270 nan 0.000 0.436 1038 L N 0.164 121.443 121.223 0.094 0.000 2.093 1038 L HA -0.175 4.166 4.340 0.002 0.000 0.208 1038 L C 1.961 178.882 176.870 0.085 0.000 1.085 1038 L CA 1.002 55.908 54.840 0.109 0.000 0.755 1038 L CB -0.521 41.655 42.059 0.195 0.000 0.904 1038 L HN 0.172 nan 8.230 nan 0.000 0.435 1039 D N 0.185 120.637 120.400 0.088 0.000 2.092 1039 D HA -0.214 4.427 4.640 0.002 0.000 0.193 1039 D C 2.219 178.549 176.300 0.049 0.000 0.994 1039 D CA 1.141 55.176 54.000 0.057 0.000 0.828 1039 D CB -0.133 40.699 40.800 0.052 0.000 0.963 1039 D HN 0.167 nan 8.370 nan 0.000 0.450 1040 R N 0.725 121.254 120.500 0.048 0.000 2.103 1040 R HA -0.177 4.164 4.340 0.002 0.000 0.242 1040 R C 2.005 178.334 176.300 0.049 0.000 1.142 1040 R CA 1.774 57.899 56.100 0.042 0.000 0.960 1040 R CB -0.195 30.124 30.300 0.032 0.000 0.858 1040 R HN 0.114 nan 8.270 nan 0.000 0.439 1041 A N 0.964 123.811 122.820 0.046 0.000 1.929 1041 A HA -0.028 4.293 4.320 0.002 0.000 0.216 1041 A C 2.253 179.885 177.584 0.080 0.000 1.176 1041 A CA 0.799 52.869 52.037 0.055 0.000 0.628 1041 A CB -0.335 18.681 19.000 0.027 0.000 0.816 1041 A HN 0.339 nan 8.150 nan 0.000 0.444 1042 L N -0.461 120.801 121.223 0.064 0.000 2.046 1042 L HA -0.186 4.155 4.340 0.002 0.000 0.208 1042 L C 2.112 179.017 176.870 0.060 0.000 1.077 1042 L CA 1.460 56.335 54.840 0.058 0.000 0.747 1042 L CB -0.655 41.428 42.059 0.041 0.000 0.896 1042 L HN 0.311 nan 8.230 nan 0.000 0.432 1043 D N -0.233 120.200 120.400 0.056 0.000 2.104 1043 D HA -0.174 4.467 4.640 0.002 0.000 0.194 1043 D C 2.357 178.698 176.300 0.069 0.000 0.994 1043 D CA 1.843 55.874 54.000 0.052 0.000 0.830 1043 D CB -0.181 40.646 40.800 0.046 0.000 0.959 1043 D HN 0.315 nan 8.370 nan 0.000 0.452 1044 S N -0.157 115.600 115.700 0.095 0.000 2.447 1044 S HA -0.171 4.300 4.470 0.002 0.000 0.233 1044 S C 0.935 175.623 174.600 0.147 0.000 1.006 1044 S CA 0.891 59.171 58.200 0.134 0.000 0.957 1044 S CB -0.274 63.042 63.200 0.194 0.000 0.773 1044 S HN 0.363 nan 8.310 nan 0.000 0.507 1045 Q N -1.665 118.214 119.800 0.133 0.000 2.489 1045 Q HA -0.164 4.177 4.340 0.002 0.000 0.259 1045 Q C -0.854 175.259 176.000 0.189 0.000 0.934 1045 Q CA 1.041 56.915 55.803 0.118 0.000 1.131 1045 Q CB -2.131 26.644 28.738 0.063 0.000 1.472 1045 Q HN 0.796 nan 8.270 nan 0.000 0.560 1046 W N 1.453 122.767 121.300 0.023 0.000 2.298 1046 W HA 0.470 5.130 4.660 0.001 0.000 0.327 1046 W C -0.091 176.445 176.519 0.027 0.000 0.988 1046 W CA -1.045 56.316 57.345 0.027 0.000 1.448 1046 W CB -0.062 29.416 29.460 0.030 0.000 1.243 1046 W HN 0.202 nan 8.180 nan 0.000 0.388 1047 L N 3.751 125.201 121.223 0.379 0.000 2.463 1047 L HA 0.166 4.508 4.340 0.002 0.000 0.219 1047 L C 1.206 178.177 176.870 0.169 0.000 1.088 1047 L CA 0.483 55.442 54.840 0.199 0.000 0.849 1047 L CB -0.202 41.934 42.059 0.128 0.000 1.012 1047 L HN 0.293 nan 8.230 nan 0.000 0.468 1048 S N -1.575 114.291 115.700 0.275 0.000 2.873 1048 S HA 0.364 4.835 4.470 0.002 0.000 0.303 1048 S C -1.310 173.492 174.600 0.337 0.000 1.222 1048 S CA -0.671 57.649 58.200 0.200 0.000 0.923 1048 S CB 0.712 63.995 63.200 0.138 0.000 1.286 1048 S HN 0.289 nan 8.310 nan 0.000 0.571 1049 N N 1.213 120.057 118.700 0.239 0.000 2.573 1049 N HA -0.114 4.628 4.740 0.002 0.000 0.280 1049 N C 0.276 176.019 175.510 0.388 0.000 1.187 1049 N CA 1.506 54.720 53.050 0.273 0.000 0.717 1049 N CB -1.689 36.962 38.487 0.273 0.000 0.899 1049 N HN 1.597 nan 8.380 nan 0.000 0.546 1050 G N -0.884 108.066 108.800 0.250 0.000 2.356 1050 G HA2 -0.114 3.847 3.960 0.002 0.000 0.296 1050 G HA3 -0.114 3.847 3.960 0.002 0.000 0.296 1050 G C 0.854 175.758 174.900 0.006 0.000 1.022 1050 G CA 0.738 45.953 45.100 0.193 0.000 0.961 1050 G HN 0.975 nan 8.290 nan 0.000 0.510 1051 G N -0.252 108.318 108.800 -0.384 0.000 2.621 1051 G HA2 0.588 4.549 3.960 0.002 0.000 0.271 1051 G HA3 0.588 4.549 3.960 0.002 0.000 0.271 1051 G C -0.233 174.178 174.900 -0.815 0.000 1.236 1051 G CA -0.204 44.034 45.100 -1.436 0.000 0.958 1051 G HN 0.144 nan 8.290 nan 0.000 0.512 1052 P HA -0.075 nan 4.420 nan 0.000 0.220 1052 P C 1.962 179.133 177.300 -0.216 0.000 1.148 1052 P CA 0.881 63.755 63.100 -0.377 0.000 0.803 1052 P CB 0.157 31.691 31.700 -0.276 0.000 0.782 1053 L N -1.096 119.997 121.223 -0.217 0.000 2.044 1053 L HA -0.098 4.243 4.340 0.002 0.000 0.205 1053 L C 2.645 179.472 176.870 -0.071 0.000 1.075 1053 L CA 1.097 55.864 54.840 -0.120 0.000 0.747 1053 L CB -1.181 40.806 42.059 -0.121 0.000 0.903 1053 L HN -0.178 nan 8.230 nan 0.000 0.435 1054 V N -0.143 119.711 119.914 -0.100 0.000 2.287 1054 V HA -0.282 3.839 4.120 0.002 0.000 0.248 1054 V C 2.773 178.897 176.094 0.049 0.000 1.053 1054 V CA 1.610 63.903 62.300 -0.013 0.000 1.027 1054 V CB -0.638 31.175 31.823 -0.017 0.000 0.646 1054 V HN 0.416 nan 8.190 nan 0.000 0.447 1055 R N -0.118 120.371 120.500 -0.018 0.000 2.091 1055 R HA -0.177 4.164 4.340 0.002 0.000 0.238 1055 R C 2.211 178.519 176.300 0.014 0.000 1.136 1055 R CA 1.667 57.768 56.100 0.002 0.000 0.959 1055 R CB -0.793 29.490 30.300 -0.028 0.000 0.856 1055 R HN 0.694 nan 8.270 nan 0.000 0.437 1056 E N -0.423 119.780 120.200 0.005 0.000 2.051 1056 E HA -0.193 4.158 4.350 0.002 0.000 0.192 1056 E C 1.798 178.418 176.600 0.034 0.000 0.991 1056 E CA 0.981 57.388 56.400 0.010 0.000 0.799 1056 E CB -0.179 29.521 29.700 0.000 0.000 0.748 1056 E HN 0.192 nan 8.360 nan 0.000 0.449 1057 F N 2.040 121.929 119.950 -0.102 0.000 2.069 1057 F HA -0.198 4.330 4.527 0.003 0.000 0.298 1057 F C 2.043 177.780 175.800 -0.104 0.000 1.113 1057 F CA 2.053 59.970 58.000 -0.138 0.000 1.214 1057 F CB -0.234 38.656 39.000 -0.184 0.000 0.978 1057 F HN 0.036 nan 8.300 nan 0.000 0.474 1058 E N -0.203 120.013 120.200 0.026 0.000 2.147 1058 E HA -0.316 4.035 4.350 0.002 0.000 0.199 1058 E C 2.204 178.752 176.600 -0.086 0.000 1.005 1058 E CA 1.605 57.986 56.400 -0.033 0.000 0.810 1058 E CB -0.359 29.374 29.700 0.055 0.000 0.736 1058 E HN 0.624 nan 8.360 nan 0.000 0.460 1059 E N 0.855 121.014 120.200 -0.068 0.000 2.028 1059 E HA -0.201 4.150 4.350 0.002 0.000 0.191 1059 E C 2.126 178.667 176.600 -0.098 0.000 0.988 1059 E CA 0.898 57.260 56.400 -0.063 0.000 0.799 1059 E CB 0.117 29.794 29.700 -0.038 0.000 0.755 1059 E HN 0.157 nan 8.360 nan 0.000 0.447 1060 R N 0.161 120.574 120.500 -0.145 0.000 2.073 1060 R HA -0.122 4.220 4.340 0.002 0.000 0.234 1060 R C 2.550 178.724 176.300 -0.210 0.000 1.134 1060 R CA 1.464 57.466 56.100 -0.163 0.000 0.952 1060 R CB -0.576 29.618 30.300 -0.177 0.000 0.850 1060 R HN 0.111 nan 8.270 nan 0.000 0.433 1061 V N 1.495 121.187 119.914 -0.370 0.000 2.282 1061 V HA -0.317 3.805 4.120 0.002 0.000 0.249 1061 V C 2.536 178.601 176.094 -0.049 0.000 1.057 1061 V CA 2.157 64.277 62.300 -0.300 0.000 1.032 1061 V CB -0.848 30.711 31.823 -0.439 0.000 0.645 1061 V HN 0.473 nan 8.190 nan 0.000 0.447 1062 A N 0.237 123.041 122.820 -0.027 0.000 1.933 1062 A HA -0.078 4.243 4.320 0.002 0.000 0.218 1062 A C 2.417 180.015 177.584 0.023 0.000 1.175 1062 A CA 1.907 53.965 52.037 0.035 0.000 0.628 1062 A CB -1.205 17.801 19.000 0.010 0.000 0.814 1062 A HN 0.553 nan 8.150 nan 0.000 0.444 1063 G N -0.065 108.725 108.800 -0.017 0.000 2.446 1063 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 1063 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 1063 G C 1.532 176.438 174.900 0.011 0.000 1.168 1063 G CA 1.036 46.129 45.100 -0.012 0.000 0.771 1063 G HN 0.433 nan 8.290 nan 0.000 0.551 1064 L N 0.590 121.817 121.223 0.006 0.000 2.127 1064 L HA -0.096 4.245 4.340 0.002 0.000 0.211 1064 L C 3.215 180.136 176.870 0.084 0.000 1.089 1064 L CA 0.983 55.836 54.840 0.022 0.000 0.757 1064 L CB -0.213 41.829 42.059 -0.027 0.000 0.899 1064 L HN 0.348 nan 8.230 nan 0.000 0.434 1065 A N -0.773 122.143 122.820 0.160 0.000 2.169 1065 A HA 0.218 4.540 4.320 0.002 0.000 0.212 1065 A C 1.733 179.399 177.584 0.136 0.000 1.153 1065 A CA 0.746 52.938 52.037 0.257 0.000 0.756 1065 A CB -0.353 18.854 19.000 0.344 0.000 0.813 1065 A HN 0.500 nan 8.150 nan 0.000 0.471 1066 G N -0.820 108.028 108.800 0.081 0.000 2.176 1066 G HA2 -0.100 3.861 3.960 0.002 0.000 0.252 1066 G HA3 -0.100 3.861 3.960 0.002 0.000 0.252 1066 G C 0.328 175.251 174.900 0.039 0.000 1.024 1066 G CA 0.901 46.029 45.100 0.045 0.000 0.755 1066 G HN 1.808 nan 8.290 nan 0.000 0.507 1067 V N -4.644 115.296 119.914 0.042 0.000 3.158 1067 V HA 0.820 4.941 4.120 0.002 0.000 0.315 1067 V C 1.223 177.290 176.094 -0.044 0.000 1.148 1067 V CA -0.509 61.806 62.300 0.025 0.000 1.042 1067 V CB 1.466 33.331 31.823 0.069 0.000 1.101 1067 V HN 0.082 nan 8.190 nan 0.000 0.448 1068 R N -0.860 119.557 120.500 -0.139 0.000 2.140 1068 R HA 0.283 4.624 4.340 0.002 0.000 0.213 1068 R C 0.277 176.263 176.300 -0.523 0.000 1.059 1068 R CA 0.691 56.544 56.100 -0.412 0.000 1.000 1068 R CB -0.061 29.801 30.300 -0.730 0.000 0.910 1068 R HN 0.821 nan 8.270 nan 0.000 0.455 1069 H N -0.893 118.193 119.070 0.027 0.000 2.679 1069 H HA 0.713 5.270 4.556 0.002 0.000 0.367 1069 H C -1.013 174.332 175.328 0.028 0.000 1.162 1069 H CA -1.067 54.995 56.048 0.023 0.000 1.181 1069 H CB 2.172 31.944 29.762 0.016 0.000 1.693 1069 H HN 0.074 nan 8.280 nan 0.000 0.538 1070 A N 1.710 124.617 122.820 0.145 0.000 2.488 1070 A HA 0.497 4.818 4.320 0.002 0.000 0.295 1070 A C -1.269 176.358 177.584 0.072 0.000 1.045 1070 A CA -0.602 51.496 52.037 0.103 0.000 0.703 1070 A CB 1.521 20.575 19.000 0.090 0.000 1.271 1070 A HN 0.361 nan 8.150 nan 0.000 0.400 1071 V N 2.055 121.995 119.914 0.044 0.000 2.378 1071 V HA 0.638 4.760 4.120 0.002 0.000 0.288 1071 V C 0.724 176.846 176.094 0.047 0.000 1.016 1071 V CA -0.296 61.985 62.300 -0.031 0.000 0.840 1071 V CB 1.246 32.968 31.823 -0.168 0.000 0.994 1071 V HN 1.353 nan 8.190 nan 0.000 0.431 1072 A N 4.333 127.225 122.820 0.119 0.000 2.440 1072 A HA 0.689 5.010 4.320 0.002 0.000 0.251 1072 A C 0.605 178.315 177.584 0.210 0.000 1.089 1072 A CA 0.273 52.451 52.037 0.235 0.000 0.779 1072 A CB 0.269 19.433 19.000 0.273 0.000 1.022 1072 A HN 1.012 nan 8.150 nan 0.000 0.492 1073 T N -1.671 113.025 114.554 0.237 0.000 2.888 1073 T HA 0.373 4.724 4.350 0.002 0.000 0.288 1073 T C 1.165 175.968 174.700 0.172 0.000 1.063 1073 T CA -0.067 62.163 62.100 0.216 0.000 1.010 1073 T CB 0.606 69.580 68.868 0.176 0.000 1.214 1073 T HN 1.323 nan 8.240 nan 0.000 0.533 1074 C N 0.249 119.626 119.300 0.129 0.000 2.432 1074 C HA 0.241 4.702 4.460 0.002 0.000 0.280 1074 C C 0.691 175.751 174.990 0.117 0.000 1.353 1074 C CA 0.349 59.425 59.018 0.098 0.000 1.766 1074 C CB -2.058 25.718 27.740 0.060 0.000 1.924 1074 C HN 1.104 nan 8.230 nan 0.000 0.509 1075 N N -1.822 116.950 118.700 0.121 0.000 3.127 1075 N HA 0.484 5.226 4.740 0.002 0.000 0.239 1075 N C -0.066 175.504 175.510 0.100 0.000 1.407 1075 N CA -0.041 53.084 53.050 0.124 0.000 0.891 1075 N CB 0.854 39.404 38.487 0.105 0.000 1.447 1075 N HN 0.079 nan 8.380 nan 0.000 0.507 1076 A N -0.186 122.682 122.820 0.080 0.000 1.969 1076 A HA -0.030 4.291 4.320 0.002 0.000 0.218 1076 A C 1.634 179.225 177.584 0.011 0.000 1.169 1076 A CA 1.990 54.051 52.037 0.040 0.000 0.635 1076 A CB -1.271 17.731 19.000 0.004 0.000 0.810 1076 A HN 0.759 nan 8.150 nan 0.000 0.445 1077 T N 0.525 115.086 114.554 0.011 0.000 2.684 1077 T HA -0.100 4.251 4.350 0.002 0.000 0.267 1077 T C 2.230 176.917 174.700 -0.022 0.000 1.036 1077 T CA 1.720 63.811 62.100 -0.016 0.000 1.148 1077 T CB -0.476 68.372 68.868 -0.033 0.000 0.863 1077 T HN 0.604 nan 8.240 nan 0.000 0.436 1078 A N 1.349 124.166 122.820 -0.005 0.000 1.978 1078 A HA 0.089 4.410 4.320 0.002 0.000 0.220 1078 A C 2.626 180.218 177.584 0.012 0.000 1.170 1078 A CA 1.870 53.913 52.037 0.010 0.000 0.636 1078 A CB -1.366 17.651 19.000 0.029 0.000 0.810 1078 A HN 0.525 nan 8.150 nan 0.000 0.448 1079 G N -0.017 108.792 108.800 0.015 0.000 2.442 1079 G HA2 -0.176 3.785 3.960 0.002 0.000 0.219 1079 G HA3 -0.176 3.785 3.960 0.002 0.000 0.219 1079 G C 1.512 176.378 174.900 -0.057 0.000 1.141 1079 G CA 1.127 46.225 45.100 -0.003 0.000 0.763 1079 G HN 0.466 nan 8.290 nan 0.000 0.554 1080 L N -0.268 120.914 121.223 -0.067 0.000 2.093 1080 L HA -0.086 4.255 4.340 0.002 0.000 0.208 1080 L C 3.098 179.893 176.870 -0.124 0.000 1.085 1080 L CA 1.192 55.965 54.840 -0.112 0.000 0.755 1080 L CB -0.486 41.510 42.059 -0.104 0.000 0.904 1080 L HN 0.223 nan 8.230 nan 0.000 0.435 1081 Q N 0.027 119.781 119.800 -0.077 0.000 2.084 1081 Q HA -0.178 4.163 4.340 0.002 0.000 0.202 1081 Q C 2.349 178.303 176.000 -0.077 0.000 0.978 1081 Q CA 1.419 57.172 55.803 -0.083 0.000 0.844 1081 Q CB -0.237 28.508 28.738 0.012 0.000 0.898 1081 Q HN 0.487 nan 8.270 nan 0.000 0.426 1082 L N -0.030 121.177 121.223 -0.026 0.000 2.046 1082 L HA -0.191 4.150 4.340 0.002 0.000 0.208 1082 L C 2.309 179.143 176.870 -0.061 0.000 1.077 1082 L CA 0.462 55.302 54.840 0.000 0.000 0.747 1082 L CB -0.569 41.493 42.059 0.004 0.000 0.896 1082 L HN 0.243 nan 8.230 nan 0.000 0.432 1083 L N 0.486 121.624 121.223 -0.142 0.000 1.989 1083 L HA -0.173 4.168 4.340 0.002 0.000 0.211 1083 L C 2.684 179.385 176.870 -0.281 0.000 1.071 1083 L CA 2.094 56.783 54.840 -0.252 0.000 0.749 1083 L CB -0.946 40.895 42.059 -0.362 0.000 0.890 1083 L HN 0.168 nan 8.230 nan 0.000 0.431 1084 A N -1.143 121.512 122.820 -0.274 0.000 1.849 1084 A HA -0.298 4.023 4.320 0.002 0.000 0.217 1084 A C 2.275 179.780 177.584 -0.132 0.000 1.202 1084 A CA 2.021 53.912 52.037 -0.242 0.000 0.629 1084 A CB -1.192 17.649 19.000 -0.265 0.000 0.834 1084 A HN 0.686 nan 8.150 nan 0.000 0.447 1085 H N -0.415 118.612 119.070 -0.072 0.000 2.319 1085 H HA -0.099 4.458 4.556 0.002 0.000 0.299 1085 H C 2.570 177.870 175.328 -0.046 0.000 1.092 1085 H CA 1.546 57.567 56.048 -0.045 0.000 1.302 1085 H CB -0.839 28.906 29.762 -0.029 0.000 1.373 1085 H HN 0.516 nan 8.280 nan 0.000 0.497 1086 A N 0.803 123.662 122.820 0.065 0.000 1.940 1086 A HA -0.099 4.222 4.320 0.002 0.000 0.219 1086 A C 2.544 180.131 177.584 0.005 0.000 1.176 1086 A CA 1.872 53.917 52.037 0.014 0.000 0.631 1086 A CB -0.676 18.308 19.000 -0.025 0.000 0.814 1086 A HN 0.444 nan 8.150 nan 0.000 0.446 1087 A N -1.897 120.914 122.820 -0.015 0.000 2.218 1087 A HA 0.416 4.738 4.320 0.002 0.000 0.209 1087 A C 1.770 179.378 177.584 0.039 0.000 1.168 1087 A CA 1.153 53.200 52.037 0.017 0.000 0.804 1087 A CB -0.919 18.093 19.000 0.019 0.000 0.834 1087 A HN 1.920 nan 8.150 nan 0.000 0.482 1088 G N -0.405 108.420 108.800 0.043 0.000 2.198 1088 G HA2 -0.226 3.735 3.960 0.002 0.000 0.260 1088 G HA3 -0.226 3.735 3.960 0.002 0.000 0.260 1088 G C 0.089 175.015 174.900 0.043 0.000 1.025 1088 G CA 0.305 45.436 45.100 0.052 0.000 0.769 1088 G HN 0.463 nan 8.290 nan 0.000 0.507 1089 L N 0.739 121.979 121.223 0.029 0.000 2.485 1089 L HA 0.468 4.810 4.340 0.002 0.000 0.275 1089 L C 1.221 178.096 176.870 0.008 0.000 1.207 1089 L CA 0.999 55.848 54.840 0.014 0.000 0.855 1089 L CB 0.504 42.554 42.059 -0.015 0.000 1.114 1089 L HN 0.512 nan 8.230 nan 0.000 0.485 1090 T N -1.025 113.530 114.554 0.001 0.000 2.883 1090 T HA 0.691 5.042 4.350 0.002 0.000 0.301 1090 T C 0.339 175.030 174.700 -0.016 0.000 1.158 1090 T CA -0.137 61.962 62.100 -0.002 0.000 1.007 1090 T CB 1.975 70.847 68.868 0.005 0.000 1.186 1090 T HN 0.982 nan 8.240 nan 0.000 0.499 1091 G N 1.851 110.640 108.800 -0.018 0.000 2.602 1091 G HA2 -0.230 3.731 3.960 0.002 0.000 0.310 1091 G HA3 -0.230 3.731 3.960 0.002 0.000 0.310 1091 G C -0.338 174.536 174.900 -0.043 0.000 1.183 1091 G CA 0.493 45.577 45.100 -0.027 0.000 0.979 1091 G HN 1.085 nan 8.290 nan 0.000 0.545 1092 E N -0.337 119.832 120.200 -0.052 0.000 2.231 1092 E HA 0.567 4.919 4.350 0.002 0.000 0.277 1092 E C -0.704 175.841 176.600 -0.091 0.000 0.999 1092 E CA -0.613 55.740 56.400 -0.079 0.000 0.827 1092 E CB 2.374 32.026 29.700 -0.080 0.000 1.101 1092 E HN 0.396 nan 8.360 nan 0.000 0.393 1093 V N 4.219 124.056 119.914 -0.129 0.000 2.443 1093 V HA 0.304 4.425 4.120 0.002 0.000 0.293 1093 V C -0.211 175.769 176.094 -0.190 0.000 1.021 1093 V CA -0.636 61.582 62.300 -0.137 0.000 0.848 1093 V CB 1.244 32.996 31.823 -0.119 0.000 0.998 1093 V HN 0.609 nan 8.190 nan 0.000 0.424 1094 I N 6.918 127.390 120.570 -0.163 0.000 2.441 1094 I HA 0.542 4.713 4.170 0.002 0.000 0.287 1094 I C 0.156 176.179 176.117 -0.157 0.000 1.049 1094 I CA 0.258 61.456 61.300 -0.170 0.000 1.381 1094 I CB 0.834 38.748 38.000 -0.143 0.000 1.409 1094 I HN 0.745 nan 8.210 nan 0.000 0.523 1095 M N 7.193 126.704 119.600 -0.148 0.000 2.682 1095 M HA 0.629 5.110 4.480 0.002 0.000 0.272 1095 M C -3.033 173.303 176.300 0.059 0.000 1.232 1095 M CA -1.875 53.379 55.300 -0.077 0.000 0.849 1095 M CB 2.301 34.835 32.600 -0.110 0.000 1.695 1095 M HN -0.017 nan 8.290 nan 0.000 0.481 1096 P HA 0.127 nan 4.420 nan 0.000 0.272 1096 P C -0.140 177.213 177.300 0.087 0.000 1.240 1096 P CA -0.117 63.006 63.100 0.038 0.000 0.791 1096 P CB 1.160 32.825 31.700 -0.058 0.000 0.978 1097 S N 0.747 116.373 115.700 -0.123 0.000 2.503 1097 S HA 0.070 4.541 4.470 0.002 0.000 0.215 1097 S C 0.985 175.403 174.600 -0.304 0.000 1.003 1097 S CA -0.119 57.745 58.200 -0.560 0.000 0.910 1097 S CB -0.622 62.179 63.200 -0.666 0.000 0.790 1097 S HN 0.328 nan 8.310 nan 0.000 0.514 1098 M N 3.138 122.636 119.600 -0.171 0.000 3.011 1098 M HA 0.427 4.908 4.480 0.002 0.000 0.292 1098 M C -0.174 176.014 176.300 -0.186 0.000 1.440 1098 M CA 0.287 55.519 55.300 -0.113 0.000 1.552 1098 M CB -0.802 31.750 32.600 -0.081 0.000 1.187 1098 M HN 0.251 nan 8.290 nan 0.000 0.520 1099 T N 2.114 116.500 114.554 -0.281 0.000 2.677 1099 T HA 0.368 4.719 4.350 0.002 0.000 0.305 1099 T C -1.602 172.612 174.700 -0.810 0.000 1.569 1099 T CA -0.744 61.003 62.100 -0.589 0.000 0.984 1099 T CB 0.197 68.812 68.868 -0.423 0.000 1.629 1099 T HN 0.224 nan 8.240 nan 0.000 0.494 1100 F N 2.280 121.470 119.950 -1.266 0.000 2.418 1100 F HA 0.608 5.136 4.527 0.002 0.000 0.341 1100 F C 1.509 177.048 175.800 -0.435 0.000 1.120 1100 F CA -0.085 57.398 58.000 -0.861 0.000 1.232 1100 F CB 0.692 39.293 39.000 -0.666 0.000 1.175 1100 F HN 0.770 nan 8.300 nan 0.000 0.569 1101 A N 4.907 127.124 122.820 -1.004 0.000 1.997 1101 A HA -0.196 4.125 4.320 0.002 0.000 0.221 1101 A C 2.230 179.388 177.584 -0.710 0.000 1.172 1101 A CA 2.186 53.695 52.037 -0.879 0.000 0.645 1101 A CB -1.567 16.879 19.000 -0.923 0.000 0.813 1101 A HN 1.084 nan 8.150 nan 0.000 0.454 1102 A N -0.885 121.556 122.820 -0.632 0.000 1.978 1102 A HA -0.120 4.201 4.320 0.002 0.000 0.220 1102 A C 2.282 179.802 177.584 -0.107 0.000 1.170 1102 A CA 2.375 54.301 52.037 -0.185 0.000 0.636 1102 A CB -1.334 17.715 19.000 0.083 0.000 0.810 1102 A HN 0.516 nan 8.150 nan 0.000 0.448 1103 T N 0.720 115.188 114.554 -0.145 0.000 2.607 1103 T HA -0.118 4.233 4.350 0.002 0.000 0.267 1103 T C -0.139 174.520 174.700 -0.069 0.000 1.049 1103 T CA 1.825 63.857 62.100 -0.114 0.000 1.162 1103 T CB -1.327 67.452 68.868 -0.148 0.000 0.863 1103 T HN 0.497 nan 8.240 nan 0.000 0.424 1104 P HA -0.012 nan 4.420 nan 0.000 0.215 1104 P C 1.187 178.626 177.300 0.232 0.000 1.157 1104 P CA 1.243 64.346 63.100 0.005 0.000 0.856 1104 P CB -0.209 31.444 31.700 -0.078 0.000 0.786 1105 H N 0.538 119.694 119.070 0.143 0.000 2.390 1105 H HA -0.061 4.497 4.556 0.002 0.000 0.298 1105 H C 2.031 177.424 175.328 0.109 0.000 1.106 1105 H CA 1.335 57.477 56.048 0.158 0.000 1.297 1105 H CB -1.302 28.494 29.762 0.056 0.000 1.375 1105 H HN 0.074 nan 8.280 nan 0.000 0.509 1106 A N 0.649 123.562 122.820 0.156 0.000 1.940 1106 A HA -0.128 4.193 4.320 0.002 0.000 0.219 1106 A C 2.553 180.202 177.584 0.108 0.000 1.176 1106 A CA 1.523 53.606 52.037 0.077 0.000 0.631 1106 A CB -0.718 18.282 19.000 0.000 0.000 0.814 1106 A HN 0.362 nan 8.150 nan 0.000 0.446 1107 L N -1.746 119.523 121.223 0.077 0.000 2.209 1107 L HA -0.014 4.327 4.340 0.002 0.000 0.207 1107 L C 2.631 179.548 176.870 0.078 0.000 1.094 1107 L CA 1.213 56.070 54.840 0.028 0.000 0.790 1107 L CB -0.425 41.611 42.059 -0.038 0.000 0.932 1107 L HN 0.383 nan 8.230 nan 0.000 0.447 1108 R N 0.313 120.910 120.500 0.162 0.000 2.120 1108 R HA -0.224 4.117 4.340 0.002 0.000 0.234 1108 R C 2.196 178.586 176.300 0.150 0.000 1.123 1108 R CA 1.437 57.640 56.100 0.171 0.000 0.975 1108 R CB -0.625 29.844 30.300 0.282 0.000 0.866 1108 R HN 0.475 nan 8.270 nan 0.000 0.446 1109 W N 1.531 122.826 121.300 -0.009 0.000 2.342 1109 W HA -0.153 4.508 4.660 0.002 0.000 0.297 1109 W C 0.908 177.418 176.519 -0.014 0.000 1.213 1109 W CA 1.574 58.905 57.345 -0.024 0.000 1.251 1109 W CB 0.054 29.507 29.460 -0.013 0.000 1.136 1109 W HN 0.240 nan 8.180 nan 0.000 0.526 1110 I N -1.603 119.025 120.570 0.098 0.000 3.858 1110 I HA 0.467 4.639 4.170 0.002 0.000 0.325 1110 I C 1.196 177.301 176.117 -0.020 0.000 1.403 1110 I CA 0.692 61.997 61.300 0.008 0.000 1.169 1110 I CB -0.458 37.516 38.000 -0.043 0.000 1.077 1110 I HN 0.063 nan 8.210 nan 0.000 0.403 1111 G N 1.431 110.211 108.800 -0.033 0.000 2.143 1111 G HA2 -0.230 3.731 3.960 0.002 0.000 0.249 1111 G HA3 -0.230 3.731 3.960 0.002 0.000 0.249 1111 G C 0.046 174.938 174.900 -0.014 0.000 0.981 1111 G CA 0.215 45.299 45.100 -0.027 0.000 0.665 1111 G HN 0.418 nan 8.290 nan 0.000 0.528 1112 L N -0.065 121.149 121.223 -0.016 0.000 2.469 1112 L HA 0.682 5.023 4.340 0.002 0.000 0.253 1112 L C 0.663 177.526 176.870 -0.011 0.000 1.143 1112 L CA -0.424 54.400 54.840 -0.027 0.000 0.804 1112 L CB 1.073 43.098 42.059 -0.056 0.000 1.214 1112 L HN 0.068 nan 8.230 nan 0.000 0.476 1113 T N 1.194 115.724 114.554 -0.040 0.000 2.912 1113 T HA 0.329 4.680 4.350 0.002 0.000 0.326 1113 T C -2.547 172.068 174.700 -0.141 0.000 1.080 1113 T CA -1.220 60.850 62.100 -0.049 0.000 1.000 1113 T CB 1.227 70.070 68.868 -0.042 0.000 1.008 1113 T HN 0.200 nan 8.240 nan 0.000 0.473 1114 P HA 0.241 nan 4.420 nan 0.000 0.268 1114 P C -0.784 176.149 177.300 -0.611 0.000 1.204 1114 P CA -0.304 62.502 63.100 -0.491 0.000 0.768 1114 P CB 0.628 31.866 31.700 -0.769 0.000 0.842 1115 V N 5.296 124.863 119.914 -0.578 0.000 2.380 1115 V HA 0.306 4.427 4.120 0.002 0.000 0.286 1115 V C -0.202 175.641 176.094 -0.419 0.000 1.015 1115 V CA -0.441 61.608 62.300 -0.417 0.000 0.834 1115 V CB 0.288 31.992 31.823 -0.197 0.000 1.009 1115 V HN 0.374 nan 8.190 nan 0.000 0.428 1116 F N 3.552 123.460 119.950 -0.070 0.000 2.467 1116 F HA 0.628 5.156 4.527 0.002 0.000 0.362 1116 F C 0.802 176.535 175.800 -0.111 0.000 1.090 1116 F CA -0.053 57.868 58.000 -0.131 0.000 1.202 1116 F CB 0.926 39.789 39.000 -0.228 0.000 1.113 1116 F HN 0.548 nan 8.300 nan 0.000 0.541 1117 A N 2.907 125.781 122.820 0.090 0.000 2.401 1117 A HA 0.454 4.775 4.320 0.002 0.000 0.310 1117 A C -0.875 176.707 177.584 -0.003 0.000 1.075 1117 A CA -0.852 51.194 52.037 0.016 0.000 0.746 1117 A CB 1.139 20.131 19.000 -0.014 0.000 1.277 1117 A HN 0.595 nan 8.150 nan 0.000 0.425 1118 D N 0.528 120.923 120.400 -0.009 0.000 2.362 1118 D HA 0.339 4.980 4.640 0.002 0.000 0.238 1118 D C 0.534 176.844 176.300 0.017 0.000 1.212 1118 D CA 0.211 54.215 54.000 0.007 0.000 0.902 1118 D CB 0.516 41.349 40.800 0.056 0.000 1.180 1118 D HN 0.521 nan 8.370 nan 0.000 0.445 1119 I N -1.418 119.169 120.570 0.027 0.000 2.934 1119 I HA 0.356 4.528 4.170 0.002 0.000 0.315 1119 I C 0.230 176.325 176.117 -0.037 0.000 0.997 1119 I CA -0.883 60.411 61.300 -0.010 0.000 1.184 1119 I CB 1.045 39.029 38.000 -0.028 0.000 1.400 1119 I HN 0.061 nan 8.210 nan 0.000 0.549 1120 D N 4.385 124.743 120.400 -0.070 0.000 2.316 1120 D HA 0.239 4.880 4.640 0.002 0.000 0.245 1120 D C -1.660 174.557 176.300 -0.139 0.000 1.171 1120 D CA -2.570 51.361 54.000 -0.115 0.000 0.856 1120 D CB 1.473 42.235 40.800 -0.063 0.000 1.090 1120 D HN 0.311 nan 8.370 nan 0.000 0.476 1121 P HA -0.137 nan 4.420 nan 0.000 0.220 1121 P C 0.392 177.663 177.300 -0.047 0.000 1.144 1121 P CA 0.912 63.906 63.100 -0.177 0.000 0.800 1121 P CB 0.435 31.939 31.700 -0.327 0.000 0.772 1122 D N -1.271 119.107 120.400 -0.037 0.000 2.347 1122 D HA -0.037 4.605 4.640 0.002 0.000 0.213 1122 D C 1.829 178.193 176.300 0.107 0.000 0.985 1122 D CA 1.520 55.549 54.000 0.049 0.000 0.879 1122 D CB -0.123 40.708 40.800 0.052 0.000 0.919 1122 D HN 0.358 nan 8.370 nan 0.000 0.526 1123 T N -4.775 109.782 114.554 0.005 0.000 3.028 1123 T HA 0.357 4.708 4.350 0.002 0.000 0.250 1123 T C 1.711 176.306 174.700 -0.176 0.000 0.979 1123 T CA 0.836 62.852 62.100 -0.141 0.000 1.004 1123 T CB 1.042 69.837 68.868 -0.122 0.000 1.120 1123 T HN 0.099 nan 8.240 nan 0.000 0.482 1124 G N 1.706 110.443 108.800 -0.105 0.000 2.176 1124 G HA2 -0.183 3.779 3.960 0.002 0.000 0.232 1124 G HA3 -0.183 3.779 3.960 0.002 0.000 0.232 1124 G C -0.133 174.654 174.900 -0.189 0.000 0.986 1124 G CA -0.067 44.950 45.100 -0.137 0.000 0.643 1124 G HN 0.665 nan 8.290 nan 0.000 0.522 1125 N N -0.023 118.587 118.700 -0.150 0.000 2.489 1125 N HA 0.543 5.284 4.740 0.002 0.000 0.284 1125 N C 0.159 175.631 175.510 -0.064 0.000 1.158 1125 N CA -0.740 52.240 53.050 -0.116 0.000 0.965 1125 N CB 1.391 39.823 38.487 -0.091 0.000 1.195 1125 N HN 0.273 nan 8.380 nan 0.000 0.506 1126 L N 1.448 122.647 121.223 -0.040 0.000 2.667 1126 L HA -0.074 4.267 4.340 0.002 0.000 0.278 1126 L C 0.173 177.040 176.870 -0.004 0.000 1.217 1126 L CA 0.378 55.208 54.840 -0.017 0.000 0.935 1126 L CB -0.278 41.781 42.059 0.001 0.000 1.193 1126 L HN 0.392 nan 8.230 nan 0.000 0.493 1127 D N 7.775 128.170 120.400 -0.009 0.000 2.336 1127 D HA 0.176 4.817 4.640 0.002 0.000 0.249 1127 D C -1.688 174.611 176.300 -0.001 0.000 1.213 1127 D CA -2.045 51.952 54.000 -0.005 0.000 0.870 1127 D CB 1.344 42.141 40.800 -0.005 0.000 1.076 1127 D HN 0.371 nan 8.370 nan 0.000 0.483 1128 P HA -0.113 nan 4.420 nan 0.000 0.218 1128 P C 0.429 177.730 177.300 0.001 0.000 1.148 1128 P CA 0.845 63.949 63.100 0.006 0.000 0.822 1128 P CB 0.340 32.051 31.700 0.019 0.000 0.784 1129 D N -0.983 119.421 120.400 0.006 0.000 2.378 1129 D HA -0.063 4.578 4.640 0.002 0.000 0.227 1129 D C 1.605 177.907 176.300 0.004 0.000 1.012 1129 D CA 0.718 54.724 54.000 0.009 0.000 0.905 1129 D CB -0.138 40.669 40.800 0.013 0.000 0.895 1129 D HN 0.261 nan 8.370 nan 0.000 0.532 1130 Q N -0.341 119.456 119.800 -0.004 0.000 2.217 1130 Q HA 0.120 4.462 4.340 0.002 0.000 0.217 1130 Q C 2.032 178.013 176.000 -0.033 0.000 0.844 1130 Q CA -0.005 55.794 55.803 -0.007 0.000 0.957 1130 Q CB 0.996 29.736 28.738 0.003 0.000 1.127 1130 Q HN 0.171 nan 8.270 nan 0.000 0.503 1131 V N 1.208 121.093 119.914 -0.047 0.000 2.239 1131 V HA -0.205 3.916 4.120 0.002 0.000 0.242 1131 V C 2.396 178.400 176.094 -0.150 0.000 1.038 1131 V CA 1.991 64.236 62.300 -0.092 0.000 1.002 1131 V CB -1.031 30.735 31.823 -0.095 0.000 0.641 1131 V HN 0.317 nan 8.190 nan 0.000 0.449 1132 A N 0.323 123.048 122.820 -0.159 0.000 1.915 1132 A HA -0.322 3.999 4.320 0.002 0.000 0.220 1132 A C 2.346 179.841 177.584 -0.148 0.000 1.198 1132 A CA 2.783 54.678 52.037 -0.237 0.000 0.647 1132 A CB -1.033 17.962 19.000 -0.008 0.000 0.825 1132 A HN 0.698 nan 8.150 nan 0.000 0.456 1133 A N -1.039 121.740 122.820 -0.067 0.000 2.070 1133 A HA 0.240 4.561 4.320 0.002 0.000 0.220 1133 A C 2.268 179.820 177.584 -0.054 0.000 1.159 1133 A CA 1.879 53.892 52.037 -0.039 0.000 0.656 1133 A CB -0.646 18.345 19.000 -0.017 0.000 0.800 1133 A HN 1.169 nan 8.150 nan 0.000 0.453 1134 A N -0.696 122.074 122.820 -0.083 0.000 2.081 1134 A HA 0.409 4.730 4.320 0.002 0.000 0.214 1134 A C 1.022 178.546 177.584 -0.100 0.000 1.158 1134 A CA 0.254 52.245 52.037 -0.077 0.000 0.724 1134 A CB -0.422 18.534 19.000 -0.074 0.000 0.826 1134 A HN 0.248 nan 8.150 nan 0.000 0.463 1135 V N 1.248 121.069 119.914 -0.156 0.000 3.061 1135 V HA 0.346 4.467 4.120 0.002 0.000 0.306 1135 V C 0.876 176.926 176.094 -0.073 0.000 1.118 1135 V CA 0.996 63.199 62.300 -0.162 0.000 1.231 1135 V CB 0.570 32.202 31.823 -0.318 0.000 0.956 1135 V HN 0.745 nan 8.190 nan 0.000 0.499 1136 T N 1.017 115.543 114.554 -0.047 0.000 2.671 1136 T HA 0.449 4.801 4.350 0.002 0.000 0.300 1136 T C -2.500 172.196 174.700 -0.007 0.000 1.238 1136 T CA -0.987 61.101 62.100 -0.020 0.000 1.020 1136 T CB 1.585 70.437 68.868 -0.026 0.000 1.503 1136 T HN 0.344 nan 8.240 nan 0.000 0.497 1137 P HA 0.182 nan 4.420 nan 0.000 0.223 1137 P C 1.121 178.416 177.300 -0.008 0.000 1.151 1137 P CA 0.659 63.759 63.100 -0.001 0.000 0.787 1137 P CB 0.025 31.724 31.700 -0.001 0.000 0.788 1138 R N -1.202 119.288 120.500 -0.016 0.000 2.246 1138 R HA 0.103 4.444 4.340 0.002 0.000 0.199 1138 R C 0.400 176.683 176.300 -0.029 0.000 0.984 1138 R CA 0.382 56.469 56.100 -0.021 0.000 1.015 1138 R CB -0.627 29.658 30.300 -0.025 0.000 0.930 1138 R HN 0.128 nan 8.270 nan 0.000 0.475 1139 T N 0.815 115.348 114.554 -0.035 0.000 2.867 1139 T HA 0.011 4.362 4.350 0.002 0.000 0.297 1139 T C 1.139 175.818 174.700 -0.035 0.000 0.989 1139 T CA 0.043 62.114 62.100 -0.048 0.000 1.159 1139 T CB 1.321 70.149 68.868 -0.066 0.000 0.928 1139 T HN 0.214 nan 8.240 nan 0.000 0.538 1140 S N 1.221 116.899 115.700 -0.037 0.000 2.514 1140 S HA 0.605 5.077 4.470 0.002 0.000 0.223 1140 S C 0.680 175.262 174.600 -0.031 0.000 1.046 1140 S CA -0.097 58.090 58.200 -0.022 0.000 0.914 1140 S CB 0.422 63.618 63.200 -0.006 0.000 0.807 1140 S HN 0.990 nan 8.310 nan 0.000 0.497 1141 A N 0.458 123.248 122.820 -0.050 0.000 2.564 1141 A HA 0.706 5.027 4.320 0.002 0.000 0.291 1141 A C -1.792 175.724 177.584 -0.113 0.000 1.102 1141 A CA -0.680 51.310 52.037 -0.078 0.000 0.660 1141 A CB 0.906 19.915 19.000 0.014 0.000 1.283 1141 A HN 0.362 nan 8.150 nan 0.000 0.430 1142 V N 0.427 120.240 119.914 -0.167 0.000 2.487 1142 V HA 0.599 4.721 4.120 0.002 0.000 0.298 1142 V C -0.795 175.157 176.094 -0.236 0.000 1.028 1142 V CA -0.531 61.653 62.300 -0.194 0.000 0.860 1142 V CB 1.462 33.158 31.823 -0.212 0.000 0.991 1142 V HN 0.730 nan 8.190 nan 0.000 0.427 1143 V N 4.175 123.973 119.914 -0.193 0.000 2.349 1143 V HA 0.676 4.797 4.120 0.002 0.000 0.284 1143 V C 0.714 176.697 176.094 -0.185 0.000 1.014 1143 V CA -0.262 61.913 62.300 -0.209 0.000 0.826 1143 V CB 1.508 33.257 31.823 -0.123 0.000 1.009 1143 V HN 0.960 nan 8.190 nan 0.000 0.431 1144 G N 3.294 111.960 108.800 -0.223 0.000 2.477 1144 G HA2 0.603 4.564 3.960 0.002 0.000 0.304 1144 G HA3 0.603 4.564 3.960 0.002 0.000 0.304 1144 G C -0.884 174.069 174.900 0.089 0.000 1.175 1144 G CA -0.463 44.686 45.100 0.083 0.000 0.907 1144 G HN 0.529 nan 8.290 nan 0.000 0.509 1145 V N 1.635 121.520 119.914 -0.048 0.000 2.444 1145 V HA 0.237 4.358 4.120 0.002 0.000 0.294 1145 V C -0.795 175.150 176.094 -0.249 0.000 1.022 1145 V CA -1.016 61.152 62.300 -0.220 0.000 0.850 1145 V CB 1.398 33.066 31.823 -0.258 0.000 0.992 1145 V HN 0.704 nan 8.190 nan 0.000 0.426 1146 H N 4.680 123.656 119.070 -0.158 0.000 3.109 1146 H HA 0.211 4.768 4.556 0.002 0.000 0.266 1146 H C 0.009 175.235 175.328 -0.170 0.000 1.334 1146 H CA -0.574 55.364 56.048 -0.183 0.000 1.456 1146 H CB 0.629 30.299 29.762 -0.154 0.000 1.587 1146 H HN 0.430 nan 8.280 nan 0.000 0.500 1147 L N 4.317 125.448 121.223 -0.154 0.000 2.562 1147 L HA -0.090 4.251 4.340 0.002 0.000 0.271 1147 L C -0.098 176.653 176.870 -0.199 0.000 1.167 1147 L CA 0.335 54.972 54.840 -0.340 0.000 0.917 1147 L CB -0.232 41.427 42.059 -0.667 0.000 1.187 1147 L HN 0.685 nan 8.230 nan 0.000 0.482 1148 W N 4.357 125.782 121.300 0.209 0.000 3.834 1148 W HA -0.219 4.442 4.660 0.002 0.000 0.320 1148 W C 1.280 177.749 176.519 -0.084 0.000 1.201 1148 W CA 0.832 58.116 57.345 -0.101 0.000 0.701 1148 W CB -2.283 26.926 29.460 -0.417 0.000 2.264 1148 W HN 1.039 nan 8.180 nan 0.000 1.413 1149 G N -0.673 108.273 108.800 0.244 0.000 2.176 1149 G HA2 -0.344 3.618 3.960 0.002 0.000 0.253 1149 G HA3 -0.344 3.618 3.960 0.002 0.000 0.253 1149 G C 0.524 175.433 174.900 0.015 0.000 0.979 1149 G CA 0.250 45.434 45.100 0.139 0.000 0.641 1149 G HN 0.339 nan 8.290 nan 0.000 0.530 1150 R N 1.290 121.783 120.500 -0.013 0.000 2.347 1150 R HA 0.468 4.809 4.340 0.002 0.000 0.304 1150 R C -2.589 173.657 176.300 -0.089 0.000 1.072 1150 R CA -1.603 54.472 56.100 -0.040 0.000 0.980 1150 R CB 0.493 30.758 30.300 -0.059 0.000 0.986 1150 R HN 0.152 nan 8.270 nan 0.000 0.448 1151 P HA 0.022 nan 4.420 nan 0.000 0.271 1151 P C -0.119 177.095 177.300 -0.145 0.000 1.216 1151 P CA -0.464 62.408 63.100 -0.380 0.000 0.776 1151 P CB 0.587 32.001 31.700 -0.476 0.000 0.881 1152 C N 2.053 121.316 119.300 -0.062 0.000 2.705 1152 C HA 0.342 4.803 4.460 0.002 0.000 0.348 1152 C C 1.514 176.476 174.990 -0.046 0.000 1.386 1152 C CA 0.062 59.056 59.018 -0.040 0.000 2.361 1152 C CB -0.422 27.318 27.740 -0.000 0.000 2.486 1152 C HN 0.598 nan 8.230 nan 0.000 0.728 1153 A N 1.136 123.970 122.820 0.024 0.000 3.091 1153 A HA 0.487 4.809 4.320 0.002 0.000 0.264 1153 A C 1.295 178.930 177.584 0.085 0.000 1.673 1153 A CA 0.516 52.576 52.037 0.038 0.000 1.362 1153 A CB -0.653 18.370 19.000 0.038 0.000 1.137 1153 A HN 1.103 nan 8.150 nan 0.000 0.617 1154 A N 0.977 123.851 122.820 0.091 0.000 1.883 1154 A HA -0.173 4.148 4.320 0.002 0.000 0.217 1154 A C 1.777 179.440 177.584 0.132 0.000 1.186 1154 A CA 1.909 54.073 52.037 0.213 0.000 0.624 1154 A CB -0.395 18.730 19.000 0.208 0.000 0.822 1154 A HN 0.579 nan 8.150 nan 0.000 0.444 1155 D N -0.285 120.160 120.400 0.074 0.000 2.106 1155 D HA -0.203 4.438 4.640 0.002 0.000 0.191 1155 D C 2.201 178.528 176.300 0.044 0.000 0.997 1155 D CA 1.876 55.906 54.000 0.049 0.000 0.834 1155 D CB -0.543 40.275 40.800 0.031 0.000 0.956 1155 D HN 0.674 nan 8.370 nan 0.000 0.448 1156 Q N -0.099 119.728 119.800 0.044 0.000 2.079 1156 Q HA -0.038 4.303 4.340 0.002 0.000 0.200 1156 Q C 2.583 178.607 176.000 0.040 0.000 0.974 1156 Q CA 0.581 56.406 55.803 0.037 0.000 0.840 1156 Q CB -0.068 28.689 28.738 0.033 0.000 0.898 1156 Q HN 0.298 nan 8.270 nan 0.000 0.430 1157 L N 0.242 121.501 121.223 0.059 0.000 2.046 1157 L HA -0.200 4.141 4.340 0.002 0.000 0.208 1157 L C 2.618 179.498 176.870 0.017 0.000 1.077 1157 L CA 1.090 55.959 54.840 0.048 0.000 0.747 1157 L CB -0.253 41.871 42.059 0.109 0.000 0.896 1157 L HN 0.150 nan 8.230 nan 0.000 0.432 1158 R N 0.911 121.430 120.500 0.032 0.000 2.083 1158 R HA -0.223 4.118 4.340 0.002 0.000 0.237 1158 R C 2.235 178.536 176.300 0.002 0.000 1.137 1158 R CA 1.820 57.921 56.100 0.001 0.000 0.951 1158 R CB -0.392 29.922 30.300 0.025 0.000 0.851 1158 R HN 0.165 nan 8.270 nan 0.000 0.434 1159 K N -0.295 120.115 120.400 0.017 0.000 2.044 1159 K HA -0.133 4.188 4.320 0.002 0.000 0.210 1159 K C 1.765 178.386 176.600 0.034 0.000 1.049 1159 K CA 1.946 58.244 56.287 0.019 0.000 0.927 1159 K CB -0.088 32.424 32.500 0.020 0.000 0.713 1159 K HN 0.148 nan 8.250 nan 0.000 0.443 1160 V N 1.224 121.165 119.914 0.046 0.000 2.307 1160 V HA -0.228 3.893 4.120 0.002 0.000 0.245 1160 V C 2.488 178.666 176.094 0.140 0.000 1.045 1160 V CA 1.811 64.170 62.300 0.099 0.000 1.024 1160 V CB -0.851 31.000 31.823 0.048 0.000 0.651 1160 V HN 0.503 nan 8.190 nan 0.000 0.449 1161 A N 0.392 123.234 122.820 0.035 0.000 1.869 1161 A HA -0.355 3.966 4.320 0.002 0.000 0.218 1161 A C 2.000 179.604 177.584 0.034 0.000 1.203 1161 A CA 2.509 54.544 52.037 -0.002 0.000 0.638 1161 A CB -0.933 18.016 19.000 -0.085 0.000 0.831 1161 A HN 0.541 nan 8.150 nan 0.000 0.450 1162 D N -0.733 119.672 120.400 0.008 0.000 2.103 1162 D HA -0.184 4.458 4.640 0.002 0.000 0.190 1162 D C 1.849 178.144 176.300 -0.007 0.000 0.997 1162 D CA 1.723 55.719 54.000 -0.007 0.000 0.833 1162 D CB -0.649 40.142 40.800 -0.015 0.000 0.961 1162 D HN 0.652 nan 8.370 nan 0.000 0.447 1163 E N -0.757 119.441 120.200 -0.002 0.000 2.169 1163 E HA -0.221 4.131 4.350 0.002 0.000 0.202 1163 E C 1.075 177.503 176.600 -0.288 0.000 1.016 1163 E CA 1.405 57.723 56.400 -0.137 0.000 0.817 1163 E CB -0.042 29.566 29.700 -0.153 0.000 0.736 1163 E HN 0.491 nan 8.360 nan 0.000 0.462 1164 H N -1.973 117.074 119.070 -0.038 0.000 2.505 1164 H HA 0.341 4.898 4.556 0.002 0.000 0.289 1164 H C 0.499 175.802 175.328 -0.041 0.000 1.052 1164 H CA 0.370 56.396 56.048 -0.038 0.000 1.156 1164 H CB 0.874 30.612 29.762 -0.039 0.000 1.507 1164 H HN 0.203 nan 8.280 nan 0.000 0.548 1165 G N 1.292 110.111 108.800 0.031 0.000 2.350 1165 G HA2 -0.268 3.694 3.960 0.002 0.000 0.298 1165 G HA3 -0.268 3.694 3.960 0.002 0.000 0.298 1165 G C -0.348 174.551 174.900 -0.002 0.000 1.037 1165 G CA 0.153 45.254 45.100 0.002 0.000 1.074 1165 G HN 0.344 nan 8.290 nan 0.000 0.511 1166 L N -0.382 120.830 121.223 -0.018 0.000 2.333 1166 L HA 0.688 5.030 4.340 0.002 0.000 0.269 1166 L C 0.736 177.527 176.870 -0.132 0.000 1.010 1166 L CA -1.441 53.362 54.840 -0.062 0.000 0.818 1166 L CB 1.443 43.460 42.059 -0.069 0.000 1.306 1166 L HN 0.055 nan 8.230 nan 0.000 0.430 1167 R N 1.519 121.904 120.500 -0.192 0.000 2.500 1167 R HA 0.552 4.893 4.340 0.002 0.000 0.275 1167 R C -0.891 175.047 176.300 -0.603 0.000 1.051 1167 R CA -0.820 55.045 56.100 -0.391 0.000 1.088 1167 R CB 1.452 31.492 30.300 -0.434 0.000 1.063 1167 R HN 0.322 nan 8.270 nan 0.000 0.511 1168 L N 2.409 123.154 121.223 -0.797 0.000 2.343 1168 L HA 0.424 4.765 4.340 0.002 0.000 0.278 1168 L C -1.619 174.657 176.870 -0.990 0.000 0.996 1168 L CA -0.402 53.985 54.840 -0.754 0.000 0.831 1168 L CB 0.855 42.647 42.059 -0.444 0.000 1.232 1168 L HN 0.473 nan 8.230 nan 0.000 0.413 1169 Y N 3.738 123.719 120.300 -0.531 0.000 2.602 1169 Y HA 0.708 5.259 4.550 0.002 0.000 0.342 1169 Y C -0.904 174.450 175.900 -0.909 0.000 1.029 1169 Y CA -0.822 56.959 58.100 -0.531 0.000 1.080 1169 Y CB 1.912 40.195 38.460 -0.295 0.000 1.284 1169 Y HN 0.366 nan 8.280 nan 0.000 0.485 1170 F N 0.144 120.089 119.950 -0.008 0.000 2.565 1170 F HA 0.265 4.793 4.527 0.002 0.000 0.313 1170 F C -0.611 175.028 175.800 -0.269 0.000 1.091 1170 F CA -1.133 56.733 58.000 -0.223 0.000 0.915 1170 F CB 1.591 40.341 39.000 -0.416 0.000 1.208 1170 F HN 0.366 nan 8.300 nan 0.000 0.453 1171 D N 2.423 122.758 120.400 -0.109 0.000 2.411 1171 D HA 0.364 5.005 4.640 0.002 0.000 0.225 1171 D C -0.053 176.107 176.300 -0.234 0.000 1.156 1171 D CA -0.005 53.889 54.000 -0.177 0.000 0.874 1171 D CB 1.371 42.055 40.800 -0.194 0.000 1.034 1171 D HN 0.629 nan 8.370 nan 0.000 0.502 1172 A N 3.565 126.284 122.820 -0.168 0.000 2.684 1172 A HA 0.498 4.819 4.320 0.002 0.000 0.288 1172 A C 1.751 179.404 177.584 0.115 0.000 1.337 1172 A CA 0.311 52.346 52.037 -0.004 0.000 0.946 1172 A CB -0.159 18.831 19.000 -0.016 0.000 1.093 1172 A HN 0.592 nan 8.150 nan 0.000 0.543 1173 A N 0.019 122.809 122.820 -0.051 0.000 1.927 1173 A HA -0.240 4.081 4.320 0.002 0.000 0.220 1173 A C 1.713 179.412 177.584 0.191 0.000 1.185 1173 A CA 2.081 54.117 52.037 -0.002 0.000 0.639 1173 A CB -0.827 18.096 19.000 -0.129 0.000 0.820 1173 A HN 0.799 nan 8.150 nan 0.000 0.451 1174 H N -2.046 117.110 119.070 0.144 0.000 2.575 1174 H HA 0.423 4.980 4.556 0.002 0.000 0.267 1174 H C 1.683 177.126 175.328 0.191 0.000 0.966 1174 H CA 0.109 56.292 56.048 0.225 0.000 1.165 1174 H CB 0.253 30.212 29.762 0.329 0.000 1.433 1174 H HN 0.538 nan 8.280 nan 0.000 0.544 1175 A N 1.204 124.224 122.820 0.333 0.000 2.337 1175 A HA 0.098 4.419 4.320 0.002 0.000 0.227 1175 A C 0.510 178.240 177.584 0.244 0.000 1.259 1175 A CA -0.295 51.914 52.037 0.288 0.000 0.870 1175 A CB -0.390 18.798 19.000 0.312 0.000 0.927 1175 A HN 0.208 nan 8.150 nan 0.000 0.497 1176 L N 0.643 121.904 121.223 0.063 0.000 2.534 1176 L HA 0.427 4.768 4.340 0.002 0.000 0.271 1176 L C 1.242 178.182 176.870 0.118 0.000 1.178 1176 L CA 1.688 56.395 54.840 -0.222 0.000 0.907 1176 L CB -0.057 41.724 42.059 -0.463 0.000 1.164 1176 L HN 0.716 nan 8.230 nan 0.000 0.482 1177 G N 2.518 111.383 108.800 0.109 0.000 2.143 1177 G HA2 -0.246 3.715 3.960 0.002 0.000 0.249 1177 G HA3 -0.246 3.715 3.960 0.002 0.000 0.249 1177 G C 0.298 175.225 174.900 0.044 0.000 0.981 1177 G CA 0.031 45.211 45.100 0.134 0.000 0.665 1177 G HN 0.832 nan 8.290 nan 0.000 0.528 1178 C N 0.202 119.531 119.300 0.048 0.000 2.358 1178 C HA 1.019 5.480 4.460 0.002 0.000 0.354 1178 C C 0.800 175.772 174.990 -0.030 0.000 1.183 1178 C CA 0.193 59.209 59.018 -0.004 0.000 2.150 1178 C CB 1.214 28.944 27.740 -0.017 0.000 2.361 1178 C HN 1.507 nan 8.230 nan 0.000 0.535 1179 A N 0.469 123.256 122.820 -0.055 0.000 2.609 1179 A HA 0.855 5.176 4.320 0.002 0.000 0.291 1179 A C -1.604 175.938 177.584 -0.070 0.000 1.096 1179 A CA -0.443 51.556 52.037 -0.062 0.000 0.684 1179 A CB 1.361 20.339 19.000 -0.035 0.000 1.282 1179 A HN 1.244 nan 8.150 nan 0.000 0.412 1180 V N 0.866 120.737 119.914 -0.071 0.000 2.668 1180 V HA 0.571 4.693 4.120 0.002 0.000 0.304 1180 V C -0.838 175.233 176.094 -0.039 0.000 1.071 1180 V CA -0.010 62.256 62.300 -0.056 0.000 0.894 1180 V CB 1.563 33.340 31.823 -0.077 0.000 1.008 1180 V HN 1.043 nan 8.190 nan 0.000 0.425 1181 D N 4.719 125.104 120.400 -0.025 0.000 2.811 1181 D HA -0.198 4.443 4.640 0.002 0.000 0.231 1181 D C 1.203 177.492 176.300 -0.018 0.000 1.157 1181 D CA 2.006 55.995 54.000 -0.018 0.000 0.716 1181 D CB -1.105 39.687 40.800 -0.014 0.000 1.077 1181 D HN 1.747 nan 8.370 nan 0.000 0.428 1182 G N -0.518 108.270 108.800 -0.020 0.000 2.184 1182 G HA2 -0.385 3.576 3.960 0.002 0.000 0.264 1182 G HA3 -0.385 3.576 3.960 0.002 0.000 0.264 1182 G C 0.356 175.246 174.900 -0.017 0.000 0.975 1182 G CA 0.508 45.597 45.100 -0.018 0.000 0.642 1182 G HN 0.499 nan 8.290 nan 0.000 0.536 1183 R N 1.230 121.717 120.500 -0.023 0.000 2.308 1183 R HA 0.450 4.791 4.340 0.002 0.000 0.305 1183 R C -2.494 173.789 176.300 -0.028 0.000 1.053 1183 R CA -1.571 54.517 56.100 -0.020 0.000 0.957 1183 R CB 1.280 31.567 30.300 -0.022 0.000 1.022 1183 R HN 0.171 nan 8.270 nan 0.000 0.461 1184 P HA 0.143 nan 4.420 nan 0.000 0.284 1184 P C -0.858 176.444 177.300 0.003 0.000 1.258 1184 P CA -0.559 62.544 63.100 0.005 0.000 0.824 1184 P CB 1.034 32.758 31.700 0.041 0.000 1.038 1185 A N 1.545 124.359 122.820 -0.010 0.000 2.477 1185 A HA 0.472 4.793 4.320 0.002 0.000 0.246 1185 A C 1.375 179.062 177.584 0.172 0.000 1.078 1185 A CA 0.911 52.924 52.037 -0.040 0.000 0.770 1185 A CB -1.327 17.626 19.000 -0.078 0.000 1.011 1185 A HN 0.854 nan 8.150 nan 0.000 0.494 1186 G N 0.492 109.357 108.800 0.108 0.000 2.253 1186 G HA2 -0.174 3.787 3.960 0.002 0.000 0.209 1186 G HA3 -0.174 3.787 3.960 0.002 0.000 0.209 1186 G C 0.897 175.848 174.900 0.085 0.000 0.997 1186 G CA 0.809 45.938 45.100 0.050 0.000 0.640 1186 G HN 2.100 nan 8.290 nan 0.000 0.496 1187 S N -0.070 115.684 115.700 0.090 0.000 2.602 1187 S HA 0.567 5.038 4.470 0.002 0.000 0.240 1187 S C 1.687 176.340 174.600 0.088 0.000 0.992 1187 S CA 0.463 58.712 58.200 0.082 0.000 0.971 1187 S CB 0.032 63.268 63.200 0.060 0.000 0.855 1187 S HN 0.397 nan 8.310 nan 0.000 0.481 1188 L N 0.472 121.769 121.223 0.124 0.000 2.470 1188 L HA 0.453 4.794 4.340 0.002 0.000 0.219 1188 L C 1.574 178.634 176.870 0.316 0.000 1.071 1188 L CA 0.298 55.236 54.840 0.162 0.000 0.850 1188 L CB -0.448 41.643 42.059 0.053 0.000 1.040 1188 L HN 0.447 nan 8.230 nan 0.000 0.475 1189 G N -1.110 107.928 108.800 0.397 0.000 2.642 1189 G HA2 0.137 4.099 3.960 0.002 0.000 0.291 1189 G HA3 0.137 4.099 3.960 0.002 0.000 0.291 1189 G C -0.199 174.758 174.900 0.096 0.000 1.345 1189 G CA -0.259 44.991 45.100 0.251 0.000 1.043 1189 G HN -0.123 nan 8.290 nan 0.000 0.528 1190 D N -0.133 120.246 120.400 -0.035 0.000 2.218 1190 D HA 0.220 4.861 4.640 0.002 0.000 0.204 1190 D C 1.057 177.453 176.300 0.160 0.000 0.976 1190 D CA 1.772 55.774 54.000 0.003 0.000 0.853 1190 D CB 0.217 40.902 40.800 -0.191 0.000 0.939 1190 D HN 0.596 nan 8.370 nan 0.000 0.481 1191 A N -0.324 122.648 122.820 0.253 0.000 2.590 1191 A HA 0.513 4.834 4.320 0.002 0.000 0.296 1191 A C -1.324 176.339 177.584 0.132 0.000 1.050 1191 A CA -0.782 51.361 52.037 0.176 0.000 0.697 1191 A CB 1.206 20.274 19.000 0.114 0.000 1.277 1191 A HN -0.064 nan 8.150 nan 0.000 0.411 1192 E N 0.121 120.318 120.200 -0.005 0.000 2.369 1192 E HA 0.647 4.999 4.350 0.002 0.000 0.270 1192 E C -1.318 175.121 176.600 -0.268 0.000 0.909 1192 E CA -1.109 55.226 56.400 -0.109 0.000 0.775 1192 E CB 2.649 32.287 29.700 -0.104 0.000 1.270 1192 E HN 0.391 nan 8.360 nan 0.000 0.445 1193 V N 2.254 121.996 119.914 -0.287 0.000 2.448 1193 V HA 0.416 4.537 4.120 0.002 0.000 0.295 1193 V C -0.769 175.150 176.094 -0.291 0.000 1.025 1193 V CA -0.650 61.501 62.300 -0.248 0.000 0.859 1193 V CB 0.444 32.184 31.823 -0.139 0.000 0.988 1193 V HN 0.548 nan 8.190 nan 0.000 0.431 1194 F N 1.807 121.720 119.950 -0.062 0.000 2.450 1194 F HA 0.663 5.191 4.527 0.002 0.000 0.328 1194 F C 0.742 176.330 175.800 -0.354 0.000 1.068 1194 F CA -0.382 57.488 58.000 -0.216 0.000 1.007 1194 F CB 2.074 40.903 39.000 -0.285 0.000 1.251 1194 F HN 0.476 nan 8.300 nan 0.000 0.492 1195 S N 0.913 116.434 115.700 -0.299 0.000 2.526 1195 S HA 0.570 5.042 4.470 0.002 0.000 0.293 1195 S C -0.860 173.297 174.600 -0.738 0.000 1.092 1195 S CA -0.490 57.510 58.200 -0.333 0.000 0.980 1195 S CB 0.551 63.692 63.200 -0.098 0.000 1.048 1195 S HN 0.452 nan 8.310 nan 0.000 0.483 1196 F N 3.198 123.224 119.950 0.127 0.000 2.881 1196 F HA 0.323 4.851 4.527 0.002 0.000 0.343 1196 F C 0.848 176.670 175.800 0.037 0.000 1.233 1196 F CA -0.690 57.346 58.000 0.061 0.000 1.262 1196 F CB 0.000 39.050 39.000 0.083 0.000 0.980 1196 F HN 0.647 nan 8.300 nan 0.000 0.506 1197 H N 0.576 119.678 119.070 0.053 0.000 2.771 1197 H HA 0.229 4.786 4.556 0.002 0.000 0.364 1197 H C 1.390 176.732 175.328 0.023 0.000 1.133 1197 H CA 0.567 56.640 56.048 0.042 0.000 1.423 1197 H CB 1.532 31.296 29.762 0.003 0.000 1.425 1197 H HN 0.377 nan 8.280 nan 0.000 0.606 1198 A N 2.869 125.253 122.820 -0.727 0.000 1.997 1198 A HA -0.252 4.069 4.320 0.002 0.000 0.221 1198 A C 2.282 179.757 177.584 -0.182 0.000 1.172 1198 A CA 2.516 54.290 52.037 -0.438 0.000 0.645 1198 A CB -1.134 17.582 19.000 -0.473 0.000 0.813 1198 A HN 0.876 nan 8.150 nan 0.000 0.454 1199 T N -3.284 111.283 114.554 0.022 0.000 3.113 1199 T HA 0.132 4.483 4.350 0.002 0.000 0.256 1199 T C 0.903 175.616 174.700 0.022 0.000 1.131 1199 T CA 0.163 62.337 62.100 0.123 0.000 1.074 1199 T CB -0.005 69.021 68.868 0.263 0.000 0.944 1199 T HN 0.203 nan 8.240 nan 0.000 0.516 1200 K N 0.950 121.355 120.400 0.008 0.000 2.155 1200 K HA 0.630 4.951 4.320 0.002 0.000 0.237 1200 K C 1.762 178.307 176.600 -0.091 0.000 1.040 1200 K CA 0.128 56.374 56.287 -0.069 0.000 0.912 1200 K CB 0.095 32.562 32.500 -0.054 0.000 1.137 1200 K HN 0.122 nan 8.250 nan 0.000 0.498 1201 A N 0.414 123.166 122.820 -0.113 0.000 1.933 1201 A HA -0.036 4.285 4.320 0.002 0.000 0.218 1201 A C 0.771 178.265 177.584 -0.149 0.000 1.175 1201 A CA 1.160 53.157 52.037 -0.067 0.000 0.628 1201 A CB 0.077 19.116 19.000 0.065 0.000 0.814 1201 A HN 0.256 nan 8.150 nan 0.000 0.444 1202 V N 1.098 120.869 119.914 -0.237 0.000 2.444 1202 V HA 0.419 4.540 4.120 0.002 0.000 0.294 1202 V C -0.719 175.392 176.094 0.029 0.000 1.022 1202 V CA -0.434 61.754 62.300 -0.186 0.000 0.850 1202 V CB 1.268 32.895 31.823 -0.326 0.000 0.992 1202 V HN 0.745 nan 8.190 nan 0.000 0.426 1203 N N 3.359 122.037 118.700 -0.037 0.000 2.265 1203 N HA 0.767 5.508 4.740 0.002 0.000 0.300 1203 N C -0.455 174.946 175.510 -0.182 0.000 1.148 1203 N CA -0.386 52.641 53.050 -0.038 0.000 0.772 1203 N CB 2.404 40.812 38.487 -0.131 0.000 1.434 1203 N HN 0.598 nan 8.380 nan 0.000 0.481 1204 A N 0.960 123.679 122.820 -0.169 0.000 2.643 1204 A HA 0.525 4.846 4.320 0.002 0.000 0.295 1204 A C -0.095 177.367 177.584 -0.204 0.000 1.065 1204 A CA -0.599 51.235 52.037 -0.339 0.000 0.986 1204 A CB -1.105 17.676 19.000 -0.365 0.000 1.212 1204 A HN 0.804 nan 8.150 nan 0.000 0.516 1205 F N -1.154 118.737 119.950 -0.098 0.000 2.532 1205 F HA -0.229 4.300 4.527 0.003 0.000 0.729 1205 F C 0.553 176.281 175.800 -0.120 0.000 0.486 1205 F CA 1.751 59.683 58.000 -0.113 0.000 0.776 1205 F CB -0.821 38.130 39.000 -0.082 0.000 1.631 1205 F HN 0.324 nan 8.300 nan 0.000 0.273 1206 E N 0.855 121.156 120.200 0.168 0.000 2.304 1206 E HA 0.631 4.982 4.350 0.002 0.000 0.277 1206 E C -0.118 176.576 176.600 0.157 0.000 0.898 1206 E CA 0.330 56.821 56.400 0.153 0.000 0.764 1206 E CB 1.938 31.729 29.700 0.152 0.000 1.216 1206 E HN 0.635 nan 8.360 nan 0.000 0.419 1207 G N 0.510 109.435 108.800 0.208 0.000 2.328 1207 G HA2 0.587 4.548 3.960 0.002 0.000 0.295 1207 G HA3 0.587 4.548 3.960 0.002 0.000 0.295 1207 G C -0.899 174.226 174.900 0.376 0.000 1.413 1207 G CA 0.016 45.266 45.100 0.250 0.000 0.817 1207 G HN 0.640 nan 8.290 nan 0.000 0.546 1208 G N -1.698 107.377 108.800 0.459 0.000 2.682 1208 G HA2 1.043 5.004 3.960 0.002 0.000 0.303 1208 G HA3 1.043 5.004 3.960 0.002 0.000 0.303 1208 G C -1.154 174.092 174.900 0.577 0.000 1.341 1208 G CA 0.332 45.697 45.100 0.443 0.000 0.784 1208 G HN 2.245 nan 8.290 nan 0.000 0.497 1209 A N -1.196 121.881 122.820 0.429 0.000 2.565 1209 A HA 0.616 4.937 4.320 0.002 0.000 0.298 1209 A C -1.480 176.210 177.584 0.178 0.000 1.062 1209 A CA -0.373 51.887 52.037 0.371 0.000 0.723 1209 A CB 1.380 20.712 19.000 0.554 0.000 1.282 1209 A HN 1.534 nan 8.150 nan 0.000 0.400 1210 V N 2.714 122.680 119.914 0.086 0.000 2.370 1210 V HA 0.601 4.722 4.120 0.002 0.000 0.283 1210 V C 0.279 176.381 176.094 0.014 0.000 1.023 1210 V CA -0.397 61.897 62.300 -0.009 0.000 0.857 1210 V CB 1.140 32.938 31.823 -0.043 0.000 0.985 1210 V HN 1.319 nan 8.190 nan 0.000 0.443 1211 V N 2.072 121.971 119.914 -0.026 0.000 2.581 1211 V HA 0.995 5.116 4.120 0.002 0.000 0.303 1211 V C -0.375 175.743 176.094 0.041 0.000 1.041 1211 V CA -0.127 62.193 62.300 0.033 0.000 0.907 1211 V CB 1.755 33.616 31.823 0.064 0.000 0.994 1211 V HN 0.886 nan 8.190 nan 0.000 0.442 1212 T N 1.166 115.783 114.554 0.105 0.000 2.830 1212 T HA 0.357 4.708 4.350 0.002 0.000 0.322 1212 T C -0.418 174.424 174.700 0.237 0.000 1.501 1212 T CA -0.184 61.992 62.100 0.127 0.000 1.036 1212 T CB 2.185 71.103 68.868 0.083 0.000 1.379 1212 T HN 0.806 nan 8.240 nan 0.000 0.493 1213 D N 0.765 121.286 120.400 0.200 0.000 2.346 1213 D HA 0.122 4.763 4.640 0.002 0.000 0.206 1213 D C 0.123 176.592 176.300 0.282 0.000 1.001 1213 D CA 0.272 54.424 54.000 0.253 0.000 0.871 1213 D CB 0.315 41.191 40.800 0.127 0.000 0.943 1213 D HN 0.481 nan 8.370 nan 0.000 0.518 1214 D N 0.400 120.875 120.400 0.125 0.000 2.383 1214 D HA 0.150 4.791 4.640 0.002 0.000 0.245 1214 D C 1.108 177.283 176.300 -0.207 0.000 1.263 1214 D CA -0.142 53.860 54.000 0.003 0.000 0.936 1214 D CB 1.023 41.832 40.800 0.014 0.000 1.053 1214 D HN -0.023 nan 8.370 nan 0.000 0.507 1215 A N 4.245 126.877 122.820 -0.313 0.000 1.933 1215 A HA -0.197 4.124 4.320 0.002 0.000 0.218 1215 A C 1.776 179.199 177.584 -0.268 0.000 1.175 1215 A CA 1.227 52.931 52.037 -0.555 0.000 0.628 1215 A CB -0.041 18.815 19.000 -0.240 0.000 0.814 1215 A HN 0.506 nan 8.150 nan 0.000 0.444 1216 D N -0.459 119.861 120.400 -0.134 0.000 2.097 1216 D HA -0.114 4.528 4.640 0.002 0.000 0.197 1216 D C 1.880 178.134 176.300 -0.077 0.000 0.984 1216 D CA 1.268 55.222 54.000 -0.077 0.000 0.826 1216 D CB -0.496 40.283 40.800 -0.034 0.000 0.973 1216 D HN 0.341 nan 8.370 nan 0.000 0.460 1217 L N 1.181 122.359 121.223 -0.074 0.000 2.042 1217 L HA -0.146 4.195 4.340 0.002 0.000 0.210 1217 L C 2.134 178.955 176.870 -0.081 0.000 1.076 1217 L CA 1.903 56.710 54.840 -0.055 0.000 0.749 1217 L CB -0.755 41.288 42.059 -0.026 0.000 0.893 1217 L HN -0.022 nan 8.230 nan 0.000 0.432 1218 A N -0.632 122.104 122.820 -0.141 0.000 1.940 1218 A HA -0.121 4.200 4.320 0.002 0.000 0.219 1218 A C 2.443 179.966 177.584 -0.101 0.000 1.176 1218 A CA 1.870 53.820 52.037 -0.144 0.000 0.631 1218 A CB -1.134 17.703 19.000 -0.270 0.000 0.814 1218 A HN 0.596 nan 8.150 nan 0.000 0.446 1219 A N -0.276 122.487 122.820 -0.094 0.000 1.898 1219 A HA -0.121 4.200 4.320 0.002 0.000 0.216 1219 A C 2.236 179.809 177.584 -0.019 0.000 1.181 1219 A CA 1.380 53.392 52.037 -0.042 0.000 0.620 1219 A CB -0.424 18.558 19.000 -0.030 0.000 0.819 1219 A HN 0.553 nan 8.150 nan 0.000 0.442 1220 R N -0.608 119.877 120.500 -0.025 0.000 2.081 1220 R HA -0.046 4.296 4.340 0.002 0.000 0.235 1220 R C 1.972 178.266 176.300 -0.010 0.000 1.131 1220 R CA 1.593 57.688 56.100 -0.008 0.000 0.960 1220 R CB -0.507 29.788 30.300 -0.009 0.000 0.856 1220 R HN 0.546 nan 8.270 nan 0.000 0.436 1221 I N 0.290 120.838 120.570 -0.036 0.000 2.226 1221 I HA -0.287 3.884 4.170 0.002 0.000 0.245 1221 I C 2.794 178.869 176.117 -0.070 0.000 1.100 1221 I CA 1.236 62.506 61.300 -0.051 0.000 1.374 1221 I CB -0.217 37.735 38.000 -0.080 0.000 1.057 1221 I HN 0.132 nan 8.210 nan 0.000 0.413 1222 R N 0.816 121.263 120.500 -0.089 0.000 2.070 1222 R HA -0.202 4.139 4.340 0.002 0.000 0.233 1222 R C 2.404 178.771 176.300 0.112 0.000 1.137 1222 R CA 1.778 57.817 56.100 -0.101 0.000 0.945 1222 R CB -0.344 29.923 30.300 -0.054 0.000 0.845 1222 R HN 0.373 nan 8.270 nan 0.000 0.430 1223 A N 0.912 123.782 122.820 0.083 0.000 1.883 1223 A HA -0.154 4.168 4.320 0.002 0.000 0.217 1223 A C 2.197 179.824 177.584 0.072 0.000 1.186 1223 A CA 1.317 53.418 52.037 0.108 0.000 0.624 1223 A CB -0.635 18.418 19.000 0.089 0.000 0.822 1223 A HN 0.353 nan 8.150 nan 0.000 0.444 1224 L N -0.235 121.013 121.223 0.042 0.000 2.191 1224 L HA -0.183 4.158 4.340 0.002 0.000 0.212 1224 L C 2.536 179.396 176.870 -0.017 0.000 1.103 1224 L CA 1.319 56.158 54.840 -0.002 0.000 0.769 1224 L CB -0.660 41.404 42.059 0.010 0.000 0.908 1224 L HN 0.763 nan 8.230 nan 0.000 0.438 1225 H N -0.856 118.145 119.070 -0.116 0.000 2.555 1225 H HA -0.047 4.510 4.556 0.002 0.000 0.269 1225 H C 0.360 175.518 175.328 -0.283 0.000 0.988 1225 H CA 0.647 56.600 56.048 -0.159 0.000 1.178 1225 H CB -0.250 29.466 29.762 -0.077 0.000 1.373 1225 H HN 0.263 nan 8.280 nan 0.000 0.588 1226 N N -0.124 118.426 118.700 -0.249 0.000 2.757 1226 N HA 0.106 4.847 4.740 0.002 0.000 0.296 1226 N C -0.936 174.323 175.510 -0.419 0.000 1.874 1226 N CA -0.547 52.270 53.050 -0.388 0.000 0.885 1226 N CB -0.926 37.528 38.487 -0.055 0.000 1.242 1226 N HN 0.153 nan 8.380 nan 0.000 0.488 1227 F N -0.069 119.630 119.950 -0.418 0.000 2.973 1227 F HA -0.275 4.253 4.527 0.002 0.000 0.299 1227 F C 1.535 176.970 175.800 -0.608 0.000 0.737 1227 F CA 0.866 58.469 58.000 -0.663 0.000 1.151 1227 F CB -1.573 36.734 39.000 -1.154 0.000 1.440 1227 F HN 0.442 nan 8.300 nan 0.000 0.367 1228 G N -0.751 107.914 108.800 -0.225 0.000 2.159 1228 G HA2 -0.345 3.617 3.960 0.002 0.000 0.256 1228 G HA3 -0.345 3.617 3.960 0.002 0.000 0.256 1228 G C 0.224 175.181 174.900 0.095 0.000 0.977 1228 G CA -0.115 44.954 45.100 -0.052 0.000 0.652 1228 G HN 0.505 nan 8.290 nan 0.000 0.531 1229 F N 1.270 121.298 119.950 0.130 0.000 2.529 1229 F HA 0.330 4.858 4.527 0.002 0.000 0.365 1229 F C 1.248 177.100 175.800 0.087 0.000 1.102 1229 F CA 0.167 58.233 58.000 0.110 0.000 1.271 1229 F CB 0.478 39.555 39.000 0.127 0.000 1.120 1229 F HN 0.157 nan 8.300 nan 0.000 0.579 1230 D N 2.100 122.678 120.400 0.296 0.000 2.873 1230 D HA -0.184 4.457 4.640 0.002 0.000 0.228 1230 D C -0.852 175.521 176.300 0.123 0.000 1.122 1230 D CA 0.303 54.403 54.000 0.166 0.000 0.758 1230 D CB -1.096 39.791 40.800 0.145 0.000 1.094 1230 D HN 0.184 nan 8.370 nan 0.000 0.434 1231 L N 0.856 122.152 121.223 0.121 0.000 2.337 1231 L HA 0.439 4.780 4.340 0.002 0.000 0.269 1231 L C -2.410 174.499 176.870 0.065 0.000 1.018 1231 L CA -1.711 53.177 54.840 0.081 0.000 0.876 1231 L CB 1.087 43.187 42.059 0.069 0.000 1.236 1231 L HN -0.325 nan 8.230 nan 0.000 0.436 1232 P HA 0.314 nan 4.420 nan 0.000 0.261 1232 P C 0.835 178.155 177.300 0.033 0.000 1.203 1232 P CA 0.862 63.986 63.100 0.040 0.000 0.767 1232 P CB 0.572 32.291 31.700 0.032 0.000 0.785 1233 G N 2.572 111.391 108.800 0.032 0.000 2.194 1233 G HA2 -0.041 3.920 3.960 0.002 0.000 0.236 1233 G HA3 -0.041 3.920 3.960 0.002 0.000 0.236 1233 G C 0.697 175.612 174.900 0.025 0.000 0.987 1233 G CA 0.189 45.303 45.100 0.025 0.000 0.635 1233 G HN 0.928 nan 8.290 nan 0.000 0.520 1234 G N -0.568 108.253 108.800 0.035 0.000 2.581 1234 G HA2 0.224 4.185 3.960 0.002 0.000 0.291 1234 G HA3 0.224 4.185 3.960 0.002 0.000 0.291 1234 G C 0.363 175.269 174.900 0.010 0.000 1.277 1234 G CA 1.714 46.833 45.100 0.032 0.000 0.959 1234 G HN 2.488 nan 8.290 nan 0.000 0.554 1235 S N -0.744 114.952 115.700 -0.008 0.000 2.550 1235 S HA 0.703 5.174 4.470 0.002 0.000 0.270 1235 S C -1.678 172.890 174.600 -0.052 0.000 1.145 1235 S CA 0.145 58.327 58.200 -0.030 0.000 0.852 1235 S CB 2.017 65.191 63.200 -0.044 0.000 1.119 1235 S HN 0.572 nan 8.310 nan 0.000 0.465 1236 P HA 0.095 nan 4.420 nan 0.000 0.222 1236 P C 1.260 178.489 177.300 -0.118 0.000 1.147 1236 P CA 1.352 64.415 63.100 -0.061 0.000 0.790 1236 P CB -0.192 31.486 31.700 -0.038 0.000 0.780 1237 A N -1.033 121.654 122.820 -0.222 0.000 2.119 1237 A HA 0.311 4.632 4.320 0.002 0.000 0.217 1237 A C 1.935 179.367 177.584 -0.253 0.000 1.153 1237 A CA 1.595 53.377 52.037 -0.424 0.000 0.692 1237 A CB -1.163 17.226 19.000 -1.017 0.000 0.799 1237 A HN 0.298 nan 8.150 nan 0.000 0.458 1238 G N -1.633 107.080 108.800 -0.145 0.000 5.353 1238 G HA2 0.224 4.186 3.960 0.002 0.000 0.283 1238 G HA3 0.224 4.186 3.960 0.002 0.000 0.283 1238 G C 1.239 176.095 174.900 -0.072 0.000 1.457 1238 G CA 0.659 45.714 45.100 -0.075 0.000 0.951 1238 G HN 2.419 nan 8.290 nan 0.000 0.731 1239 G N -2.646 106.101 108.800 -0.089 0.000 2.356 1239 G HA2 0.656 4.617 3.960 0.002 0.000 0.300 1239 G HA3 0.656 4.617 3.960 0.002 0.000 0.300 1239 G C -0.659 174.185 174.900 -0.093 0.000 1.331 1239 G CA 1.079 46.122 45.100 -0.096 0.000 0.905 1239 G HN 1.865 nan 8.290 nan 0.000 0.587 1240 T N -1.289 113.146 114.554 -0.198 0.000 2.626 1240 T HA 0.613 4.964 4.350 0.002 0.000 0.299 1240 T C -1.651 172.654 174.700 -0.658 0.000 1.181 1240 T CA -0.348 61.605 62.100 -0.246 0.000 1.053 1240 T CB 1.805 70.627 68.868 -0.076 0.000 1.566 1240 T HN 0.922 nan 8.240 nan 0.000 0.486 1241 N N 0.707 119.104 118.700 -0.505 0.000 2.518 1241 N HA 0.669 5.410 4.740 0.002 0.000 0.254 1241 N C -0.634 174.718 175.510 -0.263 0.000 0.979 1241 N CA -0.249 52.444 53.050 -0.594 0.000 0.930 1241 N CB 1.265 39.556 38.487 -0.326 0.000 1.152 1241 N HN 0.736 nan 8.380 nan 0.000 0.505 1242 A N 3.341 126.008 122.820 -0.254 0.000 2.568 1242 A HA 0.255 4.576 4.320 0.002 0.000 0.287 1242 A C 0.200 177.786 177.584 0.003 0.000 0.967 1242 A CA -0.414 51.592 52.037 -0.052 0.000 1.004 1242 A CB -0.052 18.981 19.000 0.055 0.000 1.233 1242 A HN 0.484 nan 8.150 nan 0.000 0.513 1243 K N 0.384 120.662 120.400 -0.204 0.000 2.382 1243 K HA 0.318 4.640 4.320 0.002 0.000 0.275 1243 K C 0.021 176.634 176.600 0.021 0.000 1.009 1243 K CA 0.307 56.492 56.287 -0.171 0.000 0.970 1243 K CB 0.671 33.030 32.500 -0.235 0.000 0.934 1243 K HN 0.576 nan 8.250 nan 0.000 0.479 1244 M N 2.906 122.560 119.600 0.091 0.000 2.180 1244 M HA 0.157 4.639 4.480 0.002 0.000 0.350 1244 M C -0.338 175.978 176.300 0.028 0.000 1.125 1244 M CA -0.354 54.979 55.300 0.055 0.000 1.031 1244 M CB 1.146 33.773 32.600 0.044 0.000 1.623 1244 M HN 0.756 nan 8.290 nan 0.000 0.451 1245 S N 3.481 119.189 115.700 0.014 0.000 2.614 1245 S HA 0.216 4.687 4.470 0.002 0.000 0.265 1245 S C 0.737 175.324 174.600 -0.022 0.000 1.303 1245 S CA -0.539 57.670 58.200 0.015 0.000 1.000 1245 S CB 1.010 64.223 63.200 0.023 0.000 0.935 1245 S HN 0.787 nan 8.310 nan 0.000 0.551 1246 E N 1.259 121.446 120.200 -0.022 0.000 2.160 1246 E HA -0.121 4.230 4.350 0.002 0.000 0.195 1246 E C 2.243 178.821 176.600 -0.038 0.000 0.991 1246 E CA 1.442 57.805 56.400 -0.061 0.000 0.810 1246 E CB -0.852 28.808 29.700 -0.066 0.000 0.742 1246 E HN 0.804 nan 8.360 nan 0.000 0.466 1247 A N 1.301 124.124 122.820 0.004 0.000 1.898 1247 A HA -0.033 4.288 4.320 0.002 0.000 0.216 1247 A C 2.409 180.067 177.584 0.122 0.000 1.181 1247 A CA 1.807 53.876 52.037 0.052 0.000 0.620 1247 A CB -0.442 18.575 19.000 0.029 0.000 0.819 1247 A HN 0.266 nan 8.150 nan 0.000 0.442 1248 A N -0.135 122.731 122.820 0.076 0.000 1.898 1248 A HA 0.215 4.536 4.320 0.002 0.000 0.216 1248 A C 2.481 179.943 177.584 -0.203 0.000 1.181 1248 A CA 1.889 53.970 52.037 0.073 0.000 0.620 1248 A CB -0.959 18.046 19.000 0.007 0.000 0.819 1248 A HN 1.019 nan 8.150 nan 0.000 0.442 1249 A N -0.085 122.580 122.820 -0.258 0.000 1.933 1249 A HA 0.169 4.491 4.320 0.002 0.000 0.218 1249 A C 2.469 179.877 177.584 -0.293 0.000 1.175 1249 A CA 1.981 53.759 52.037 -0.432 0.000 0.628 1249 A CB -0.929 17.903 19.000 -0.279 0.000 0.814 1249 A HN 1.003 nan 8.150 nan 0.000 0.444 1250 A N -0.762 121.971 122.820 -0.144 0.000 1.877 1250 A HA -0.139 4.182 4.320 0.002 0.000 0.216 1250 A C 2.189 179.690 177.584 -0.138 0.000 1.186 1250 A CA 2.344 54.327 52.037 -0.090 0.000 0.620 1250 A CB -0.516 18.480 19.000 -0.007 0.000 0.822 1250 A HN 0.584 nan 8.150 nan 0.000 0.443 1251 M N 0.530 120.029 119.600 -0.170 0.000 2.086 1251 M HA -0.003 4.478 4.480 0.002 0.000 0.261 1251 M C 1.981 178.060 176.300 -0.369 0.000 1.067 1251 M CA 1.935 57.014 55.300 -0.368 0.000 1.116 1251 M CB -1.241 30.831 32.600 -0.881 0.000 1.348 1251 M HN 0.301 nan 8.290 nan 0.000 0.407 1252 G N 0.309 108.846 108.800 -0.438 0.000 2.476 1252 G HA2 -0.230 3.731 3.960 0.002 0.000 0.218 1252 G HA3 -0.230 3.731 3.960 0.002 0.000 0.218 1252 G C 1.519 176.355 174.900 -0.107 0.000 1.164 1252 G CA 1.469 46.281 45.100 -0.479 0.000 0.768 1252 G HN 0.524 nan 8.290 nan 0.000 0.560 1253 L N 0.323 121.507 121.223 -0.065 0.000 2.093 1253 L HA -0.039 4.302 4.340 0.002 0.000 0.208 1253 L C 3.103 179.958 176.870 -0.025 0.000 1.085 1253 L CA 1.465 56.327 54.840 0.035 0.000 0.755 1253 L CB -0.556 41.511 42.059 0.014 0.000 0.904 1253 L HN 0.160 nan 8.230 nan 0.000 0.435 1254 T N -1.912 112.596 114.554 -0.078 0.000 2.951 1254 T HA -0.138 4.214 4.350 0.002 0.000 0.268 1254 T C 2.110 176.762 174.700 -0.081 0.000 1.073 1254 T CA 1.406 63.457 62.100 -0.083 0.000 1.134 1254 T CB 0.038 68.833 68.868 -0.122 0.000 0.884 1254 T HN 0.246 nan 8.240 nan 0.000 0.479 1255 S N 0.470 116.109 115.700 -0.103 0.000 2.406 1255 S HA 0.169 4.640 4.470 0.002 0.000 0.224 1255 S C 1.932 176.506 174.600 -0.044 0.000 1.030 1255 S CA 0.189 58.333 58.200 -0.094 0.000 0.958 1255 S CB -0.325 62.786 63.200 -0.147 0.000 0.811 1255 S HN 0.394 nan 8.310 nan 0.000 0.489 1256 L N 1.341 122.544 121.223 -0.034 0.000 2.131 1256 L HA -0.100 4.241 4.340 0.002 0.000 0.210 1256 L C 2.007 178.921 176.870 0.072 0.000 1.092 1256 L CA 1.195 56.034 54.840 -0.002 0.000 0.759 1256 L CB -0.516 41.529 42.059 -0.023 0.000 0.903 1256 L HN 0.280 nan 8.230 nan 0.000 0.435 1257 D N 0.189 120.607 120.400 0.031 0.000 2.144 1257 D HA -0.145 4.496 4.640 0.002 0.000 0.199 1257 D C 2.060 178.389 176.300 0.049 0.000 0.984 1257 D CA 1.461 55.479 54.000 0.030 0.000 0.834 1257 D CB 0.092 40.892 40.800 0.000 0.000 0.955 1257 D HN 0.323 nan 8.370 nan 0.000 0.465 1258 A N -0.247 122.607 122.820 0.056 0.000 2.218 1258 A HA -0.004 4.317 4.320 0.002 0.000 0.209 1258 A C 1.695 179.367 177.584 0.146 0.000 1.168 1258 A CA -0.164 51.913 52.037 0.066 0.000 0.804 1258 A CB -0.534 18.485 19.000 0.032 0.000 0.834 1258 A HN 0.068 nan 8.150 nan 0.000 0.482 1259 F N 2.186 122.120 119.950 -0.027 0.000 2.063 1259 F HA -0.136 4.393 4.527 0.002 0.000 0.298 1259 F C -0.685 175.103 175.800 -0.020 0.000 1.109 1259 F CA 2.082 60.068 58.000 -0.024 0.000 1.212 1259 F CB -1.449 37.535 39.000 -0.028 0.000 0.973 1259 F HN 0.189 nan 8.300 nan 0.000 0.480 1260 P HA -0.234 nan 4.420 nan 0.000 0.216 1260 P C 1.613 178.856 177.300 -0.096 0.000 1.153 1260 P CA 2.264 65.276 63.100 -0.147 0.000 0.858 1260 P CB -0.299 31.351 31.700 -0.083 0.000 0.789 1261 E N -0.331 119.853 120.200 -0.027 0.000 2.216 1261 E HA -0.082 4.269 4.350 0.002 0.000 0.192 1261 E C 1.814 178.415 176.600 0.002 0.000 0.988 1261 E CA 0.605 56.996 56.400 -0.014 0.000 0.834 1261 E CB -0.201 29.499 29.700 -0.000 0.000 0.772 1261 E HN -0.040 nan 8.360 nan 0.000 0.479 1262 V N 1.719 121.657 119.914 0.040 0.000 2.307 1262 V HA -0.256 3.865 4.120 0.002 0.000 0.245 1262 V C 2.460 178.578 176.094 0.042 0.000 1.045 1262 V CA 1.390 63.736 62.300 0.077 0.000 1.024 1262 V CB -0.338 31.602 31.823 0.195 0.000 0.651 1262 V HN 0.366 nan 8.190 nan 0.000 0.449 1263 I N 0.058 120.601 120.570 -0.046 0.000 2.208 1263 I HA -0.264 3.907 4.170 0.002 0.000 0.245 1263 I C 2.319 178.420 176.117 -0.026 0.000 1.097 1263 I CA 1.778 63.028 61.300 -0.083 0.000 1.363 1263 I CB -0.694 37.139 38.000 -0.278 0.000 1.051 1263 I HN 0.369 nan 8.210 nan 0.000 0.413 1264 D N 0.538 120.912 120.400 -0.043 0.000 2.104 1264 D HA -0.215 4.426 4.640 0.002 0.000 0.194 1264 D C 2.222 178.517 176.300 -0.009 0.000 0.994 1264 D CA 1.301 55.284 54.000 -0.028 0.000 0.830 1264 D CB -0.242 40.538 40.800 -0.032 0.000 0.959 1264 D HN 0.167 nan 8.370 nan 0.000 0.452 1265 R N 0.775 121.276 120.500 0.002 0.000 2.081 1265 R HA -0.070 4.271 4.340 0.002 0.000 0.235 1265 R C 1.780 178.097 176.300 0.028 0.000 1.131 1265 R CA 1.169 57.275 56.100 0.010 0.000 0.960 1265 R CB -0.169 30.139 30.300 0.013 0.000 0.856 1265 R HN 0.035 nan 8.270 nan 0.000 0.436 1266 N N 0.426 119.157 118.700 0.052 0.000 2.104 1266 N HA -0.152 4.589 4.740 0.002 0.000 0.190 1266 N C 1.619 177.167 175.510 0.062 0.000 1.024 1266 N CA 1.569 54.678 53.050 0.097 0.000 0.853 1266 N CB -0.196 38.380 38.487 0.149 0.000 1.008 1266 N HN 0.279 nan 8.380 nan 0.000 0.424 1267 R N 0.376 120.883 120.500 0.012 0.000 2.092 1267 R HA -0.024 4.317 4.340 0.002 0.000 0.231 1267 R C 2.276 178.543 176.300 -0.056 0.000 1.119 1267 R CA 1.027 57.067 56.100 -0.100 0.000 0.970 1267 R CB -0.156 30.117 30.300 -0.046 0.000 0.864 1267 R HN 0.267 nan 8.270 nan 0.000 0.440 1268 R N 0.931 121.417 120.500 -0.023 0.000 2.066 1268 R HA -0.091 4.250 4.340 0.002 0.000 0.232 1268 R C 1.657 177.943 176.300 -0.024 0.000 1.131 1268 R CA 1.663 57.746 56.100 -0.028 0.000 0.955 1268 R CB -0.133 30.151 30.300 -0.027 0.000 0.851 1268 R HN 0.115 nan 8.270 nan 0.000 0.432 1269 N N 0.190 118.895 118.700 0.007 0.000 2.149 1269 N HA -0.215 4.527 4.740 0.002 0.000 0.188 1269 N C 1.561 177.131 175.510 0.100 0.000 1.019 1269 N CA 1.703 54.765 53.050 0.019 0.000 0.857 1269 N CB -0.521 38.021 38.487 0.091 0.000 0.997 1269 N HN 0.494 nan 8.380 nan 0.000 0.426 1270 H N 0.212 119.280 119.070 -0.004 0.000 2.326 1270 H HA 0.106 4.663 4.556 0.002 0.000 0.301 1270 H C 1.848 177.151 175.328 -0.043 0.000 1.081 1270 H CA 2.003 58.037 56.048 -0.024 0.000 1.334 1270 H CB -0.211 29.367 29.762 -0.306 0.000 1.385 1270 H HN 0.178 nan 8.280 nan 0.000 0.504 1271 A N 1.074 123.843 122.820 -0.084 0.000 1.940 1271 A HA -0.112 4.209 4.320 0.002 0.000 0.219 1271 A C 2.615 180.087 177.584 -0.188 0.000 1.176 1271 A CA 1.729 53.677 52.037 -0.148 0.000 0.631 1271 A CB -1.409 17.547 19.000 -0.073 0.000 0.814 1271 A HN 0.666 nan 8.150 nan 0.000 0.446 1272 A N -1.403 121.324 122.820 -0.154 0.000 1.908 1272 A HA -0.131 4.190 4.320 0.002 0.000 0.218 1272 A C 2.115 179.587 177.584 -0.186 0.000 1.181 1272 A CA 1.615 53.531 52.037 -0.202 0.000 0.627 1272 A CB -0.837 18.068 19.000 -0.158 0.000 0.818 1272 A HN 0.623 nan 8.150 nan 0.000 0.445 1273 Y N -0.878 119.343 120.300 -0.132 0.000 2.200 1273 Y HA -0.164 4.387 4.550 0.002 0.000 0.290 1273 Y C 2.713 178.499 175.900 -0.190 0.000 1.137 1273 Y CA 1.758 59.792 58.100 -0.111 0.000 1.163 1273 Y CB -0.175 38.199 38.460 -0.144 0.000 0.988 1273 Y HN 0.225 nan 8.280 nan 0.000 0.518 1274 R N 0.745 121.154 120.500 -0.151 0.000 2.096 1274 R HA -0.266 4.075 4.340 0.002 0.000 0.240 1274 R C 2.239 178.445 176.300 -0.156 0.000 1.139 1274 R CA 2.245 58.222 56.100 -0.205 0.000 0.952 1274 R CB -0.240 29.884 30.300 -0.293 0.000 0.854 1274 R HN 0.622 nan 8.270 nan 0.000 0.436 1275 E N -1.002 119.066 120.200 -0.221 0.000 2.072 1275 E HA -0.209 4.142 4.350 0.002 0.000 0.191 1275 E C 1.534 177.973 176.600 -0.269 0.000 0.985 1275 E CA 1.345 57.584 56.400 -0.267 0.000 0.801 1275 E CB -0.426 29.064 29.700 -0.350 0.000 0.750 1275 E HN 0.471 nan 8.360 nan 0.000 0.452 1276 H N -0.017 119.014 119.070 -0.065 0.000 2.546 1276 H HA 0.114 4.671 4.556 0.002 0.000 0.277 1276 H C 1.204 176.516 175.328 -0.027 0.000 1.004 1276 H CA 0.845 56.861 56.048 -0.052 0.000 1.231 1276 H CB 0.301 30.020 29.762 -0.073 0.000 1.382 1276 H HN 0.259 nan 8.280 nan 0.000 0.580 1277 L N 0.014 121.273 121.223 0.061 0.000 3.014 1277 L HA 0.353 4.694 4.340 0.002 0.000 0.263 1277 L C 0.876 177.741 176.870 -0.007 0.000 1.207 1277 L CA -0.413 54.447 54.840 0.033 0.000 1.017 1277 L CB 0.502 42.579 42.059 0.029 0.000 1.360 1277 L HN -0.011 nan 8.230 nan 0.000 0.560 1278 A N -0.066 122.742 122.820 -0.021 0.000 2.483 1278 A HA 0.145 4.466 4.320 0.002 0.000 0.238 1278 A C 0.284 177.858 177.584 -0.018 0.000 1.070 1278 A CA -0.055 51.963 52.037 -0.032 0.000 0.770 1278 A CB -0.033 18.939 19.000 -0.046 0.000 1.008 1278 A HN 0.529 nan 8.150 nan 0.000 0.497 1279 D N -0.951 119.438 120.400 -0.020 0.000 2.904 1279 D HA -0.156 4.485 4.640 0.002 0.000 0.231 1279 D C -0.825 175.469 176.300 -0.010 0.000 1.185 1279 D CA 0.979 54.971 54.000 -0.014 0.000 0.783 1279 D CB -0.899 39.894 40.800 -0.012 0.000 0.961 1279 D HN 0.378 nan 8.370 nan 0.000 0.409 1280 L N 1.423 122.639 121.223 -0.012 0.000 2.529 1280 L HA 0.348 4.689 4.340 0.002 0.000 0.258 1280 L C -2.437 174.424 176.870 -0.015 0.000 1.032 1280 L CA -1.599 53.234 54.840 -0.011 0.000 0.899 1280 L CB 1.651 43.703 42.059 -0.011 0.000 1.174 1280 L HN -0.220 nan 8.230 nan 0.000 0.458 1281 P HA 0.361 nan 4.420 nan 0.000 0.268 1281 P C 0.852 178.143 177.300 -0.015 0.000 1.204 1281 P CA 0.829 63.923 63.100 -0.012 0.000 0.768 1281 P CB 0.844 32.540 31.700 -0.007 0.000 0.842 1282 G N 1.065 109.854 108.800 -0.017 0.000 2.179 1282 G HA2 -0.186 3.776 3.960 0.002 0.000 0.260 1282 G HA3 -0.186 3.776 3.960 0.002 0.000 0.260 1282 G C -0.141 174.738 174.900 -0.035 0.000 0.977 1282 G CA 0.005 45.091 45.100 -0.024 0.000 0.641 1282 G HN 0.561 nan 8.290 nan 0.000 0.533 1283 V N 1.384 121.277 119.914 -0.036 0.000 2.483 1283 V HA 0.746 4.867 4.120 0.002 0.000 0.297 1283 V C 0.015 176.079 176.094 -0.049 0.000 1.027 1283 V CA -0.638 61.632 62.300 -0.049 0.000 0.855 1283 V CB 1.519 33.313 31.823 -0.048 0.000 0.995 1283 V HN 0.649 nan 8.190 nan 0.000 0.424 1284 L N 4.061 125.248 121.223 -0.061 0.000 2.436 1284 L HA 0.768 5.109 4.340 0.002 0.000 0.268 1284 L C -0.503 176.315 176.870 -0.088 0.000 0.974 1284 L CA -1.048 53.756 54.840 -0.059 0.000 0.826 1284 L CB 1.872 43.910 42.059 -0.035 0.000 1.291 1284 L HN 0.268 nan 8.230 nan 0.000 0.406 1285 V N 2.042 121.898 119.914 -0.097 0.000 2.470 1285 V HA 0.427 4.549 4.120 0.002 0.000 0.276 1285 V C 1.082 177.111 176.094 -0.108 0.000 1.040 1285 V CA -0.236 61.981 62.300 -0.137 0.000 1.008 1285 V CB 0.962 32.683 31.823 -0.170 0.000 0.990 1285 V HN 0.919 nan 8.190 nan 0.000 0.477 1286 A N 3.627 126.342 122.820 -0.174 0.000 2.491 1286 A HA 0.154 4.475 4.320 0.002 0.000 0.261 1286 A C 0.454 177.952 177.584 -0.144 0.000 1.101 1286 A CA -0.152 51.790 52.037 -0.159 0.000 0.772 1286 A CB -0.176 18.637 19.000 -0.312 0.000 1.043 1286 A HN 0.830 nan 8.150 nan 0.000 0.501 1287 D N 1.834 122.256 120.400 0.037 0.000 2.558 1287 D HA 0.127 4.768 4.640 0.002 0.000 0.221 1287 D C 1.000 177.424 176.300 0.206 0.000 1.143 1287 D CA 0.025 54.090 54.000 0.109 0.000 1.010 1287 D CB -0.201 40.655 40.800 0.094 0.000 1.068 1287 D HN 0.569 nan 8.370 nan 0.000 0.511 1288 H N 0.813 120.008 119.070 0.208 0.000 2.422 1288 H HA -0.118 4.439 4.556 0.002 0.000 0.298 1288 H C 1.127 176.544 175.328 0.150 0.000 1.098 1288 H CA 0.956 57.129 56.048 0.209 0.000 1.315 1288 H CB 0.144 29.901 29.762 -0.008 0.000 1.382 1288 H HN 0.418 nan 8.280 nan 0.000 0.523 1289 D N 0.559 121.070 120.400 0.185 0.000 2.190 1289 D HA -0.148 4.493 4.640 0.002 0.000 0.200 1289 D C 2.248 178.544 176.300 -0.005 0.000 0.992 1289 D CA 0.687 54.743 54.000 0.092 0.000 0.854 1289 D CB -0.294 40.567 40.800 0.102 0.000 0.936 1289 D HN 0.308 nan 8.370 nan 0.000 0.462 1290 R N 0.047 120.485 120.500 -0.104 0.000 2.159 1290 R HA -0.132 4.209 4.340 0.002 0.000 0.237 1290 R C 1.390 177.419 176.300 -0.452 0.000 1.131 1290 R CA 1.099 57.009 56.100 -0.317 0.000 0.982 1290 R CB -0.018 29.987 30.300 -0.492 0.000 0.868 1290 R HN 0.424 nan 8.270 nan 0.000 0.453 1291 H N -1.415 117.687 119.070 0.053 0.000 2.539 1291 H HA 0.285 4.843 4.556 0.002 0.000 0.269 1291 H C 0.828 176.151 175.328 -0.008 0.000 0.980 1291 H CA 0.698 56.761 56.048 0.026 0.000 1.152 1291 H CB 0.741 30.528 29.762 0.041 0.000 1.407 1291 H HN 0.409 nan 8.280 nan 0.000 0.564 1292 G N 1.071 109.897 108.800 0.042 0.000 2.381 1292 G HA2 -0.123 3.838 3.960 0.002 0.000 0.672 1292 G HA3 -0.123 3.838 3.960 0.002 0.000 0.672 1292 G C -1.061 173.842 174.900 0.005 0.000 1.324 1292 G CA -0.747 44.358 45.100 0.009 0.000 0.975 1292 G HN 0.246 nan 8.290 nan 0.000 0.593 1293 L N 1.043 122.257 121.223 -0.014 0.000 2.584 1293 L HA 0.438 4.779 4.340 0.002 0.000 0.272 1293 L C 0.469 177.311 176.870 -0.047 0.000 1.195 1293 L CA 0.004 54.831 54.840 -0.022 0.000 0.920 1293 L CB 0.223 42.267 42.059 -0.026 0.000 1.173 1293 L HN 0.727 nan 8.230 nan 0.000 0.489 1294 N N 2.854 121.499 118.700 -0.091 0.000 2.319 1294 N HA 0.181 4.922 4.740 0.002 0.000 0.305 1294 N C 0.269 175.665 175.510 -0.191 0.000 1.103 1294 N CA -0.372 52.561 53.050 -0.194 0.000 0.815 1294 N CB 1.503 39.784 38.487 -0.343 0.000 1.288 1294 N HN 0.834 nan 8.380 nan 0.000 0.493 1295 N N 1.348 119.989 118.700 -0.099 0.000 2.463 1295 N HA -0.060 4.681 4.740 0.002 0.000 0.181 1295 N C -0.094 175.456 175.510 0.066 0.000 1.078 1295 N CA 0.719 53.773 53.050 0.007 0.000 0.902 1295 N CB -0.310 38.267 38.487 0.151 0.000 0.970 1295 N HN 0.605 nan 8.380 nan 0.000 0.451 1296 H N -0.729 118.392 119.070 0.084 0.000 2.958 1296 H HA -0.190 4.367 4.556 0.002 0.000 0.274 1296 H C 0.945 176.321 175.328 0.080 0.000 1.184 1296 H CA 1.181 57.291 56.048 0.103 0.000 1.143 1296 H CB -1.678 28.112 29.762 0.045 0.000 1.297 1296 H HN 0.796 nan 8.280 nan 0.000 0.356 1297 Q N -0.416 119.428 119.800 0.074 0.000 2.364 1297 Q HA -0.052 4.289 4.340 0.002 0.000 0.207 1297 Q C -0.162 175.663 176.000 -0.292 0.000 0.970 1297 Q CA 1.020 56.757 55.803 -0.110 0.000 0.888 1297 Q CB 0.288 28.903 28.738 -0.205 0.000 0.951 1297 Q HN 0.527 nan 8.270 nan 0.000 0.469 1298 Y N 0.372 120.724 120.300 0.086 0.000 2.326 1298 Y HA 0.433 4.984 4.550 0.002 0.000 0.331 1298 Y C -0.989 174.962 175.900 0.084 0.000 0.962 1298 Y CA -1.224 56.900 58.100 0.039 0.000 1.167 1298 Y CB 2.156 40.597 38.460 -0.031 0.000 1.148 1298 Y HN -0.210 nan 8.280 nan 0.000 0.463 1299 V N 6.401 126.385 119.914 0.117 0.000 2.333 1299 V HA 0.322 4.443 4.120 0.002 0.000 0.274 1299 V C -0.265 175.695 176.094 -0.223 0.000 1.028 1299 V CA -0.423 61.850 62.300 -0.044 0.000 0.851 1299 V CB 0.626 32.321 31.823 -0.214 0.000 1.000 1299 V HN 0.557 nan 8.190 nan 0.000 0.456 1300 I N 5.670 126.052 120.570 -0.314 0.000 2.474 1300 I HA 0.646 4.818 4.170 0.002 0.000 0.294 1300 I C -0.267 175.626 176.117 -0.373 0.000 1.005 1300 I CA -0.408 60.621 61.300 -0.451 0.000 1.113 1300 I CB 2.254 39.741 38.000 -0.854 0.000 1.289 1300 I HN 0.518 nan 8.210 nan 0.000 0.436 1301 V N 1.934 121.666 119.914 -0.304 0.000 2.914 1301 V HA 0.678 4.799 4.120 0.002 0.000 0.314 1301 V C -0.755 175.239 176.094 -0.167 0.000 1.084 1301 V CA -0.654 61.515 62.300 -0.219 0.000 0.963 1301 V CB 1.937 33.644 31.823 -0.193 0.000 1.025 1301 V HN 0.706 nan 8.190 nan 0.000 0.432 1302 E N 2.931 123.062 120.200 -0.114 0.000 2.171 1302 E HA 0.553 4.904 4.350 0.002 0.000 0.271 1302 E C -1.335 175.217 176.600 -0.080 0.000 0.916 1302 E CA -0.865 55.489 56.400 -0.077 0.000 0.774 1302 E CB 2.221 31.901 29.700 -0.033 0.000 1.128 1302 E HN 0.554 nan 8.360 nan 0.000 0.403 1303 I N 2.772 123.287 120.570 -0.092 0.000 2.312 1303 I HA 0.118 4.289 4.170 0.002 0.000 0.290 1303 I C -0.082 175.975 176.117 -0.100 0.000 1.008 1303 I CA -0.638 60.602 61.300 -0.099 0.000 1.226 1303 I CB 0.904 38.829 38.000 -0.125 0.000 1.371 1303 I HN 0.476 nan 8.210 nan 0.000 0.468 1304 D N 6.052 126.410 120.400 -0.069 0.000 2.441 1304 D HA 0.021 4.663 4.640 0.002 0.000 0.221 1304 D C 1.182 177.448 176.300 -0.055 0.000 1.156 1304 D CA 0.008 53.975 54.000 -0.055 0.000 0.896 1304 D CB 0.856 41.639 40.800 -0.029 0.000 1.028 1304 D HN 0.624 nan 8.370 nan 0.000 0.509 1305 E N 3.078 123.232 120.200 -0.077 0.000 2.171 1305 E HA -0.260 4.091 4.350 0.002 0.000 0.197 1305 E C 1.440 178.036 176.600 -0.007 0.000 0.997 1305 E CA 1.161 57.535 56.400 -0.045 0.000 0.810 1305 E CB 0.257 29.933 29.700 -0.041 0.000 0.738 1305 E HN 0.533 nan 8.360 nan 0.000 0.467 1306 A N 0.280 123.097 122.820 -0.004 0.000 1.873 1306 A HA -0.148 4.174 4.320 0.002 0.000 0.215 1306 A C 2.397 179.984 177.584 0.004 0.000 1.186 1306 A CA 1.941 53.982 52.037 0.007 0.000 0.616 1306 A CB -0.891 18.114 19.000 0.008 0.000 0.823 1306 A HN 0.339 nan 8.150 nan 0.000 0.442 1307 T N -0.012 114.541 114.554 -0.003 0.000 2.701 1307 T HA -0.130 4.221 4.350 0.002 0.000 0.263 1307 T C 2.198 176.896 174.700 -0.004 0.000 1.040 1307 T CA 2.289 64.387 62.100 -0.003 0.000 1.147 1307 T CB -0.620 68.243 68.868 -0.008 0.000 0.865 1307 T HN 0.798 nan 8.240 nan 0.000 0.426 1308 T N -1.086 113.463 114.554 -0.009 0.000 3.014 1308 T HA 0.298 4.649 4.350 0.002 0.000 0.263 1308 T C 1.908 176.610 174.700 0.003 0.000 1.078 1308 T CA 1.110 63.206 62.100 -0.008 0.000 1.135 1308 T CB -0.418 68.438 68.868 -0.021 0.000 0.895 1308 T HN 0.583 nan 8.240 nan 0.000 0.480 1309 G N 1.266 110.072 108.800 0.010 0.000 2.148 1309 G HA2 -0.214 3.747 3.960 0.002 0.000 0.254 1309 G HA3 -0.214 3.747 3.960 0.002 0.000 0.254 1309 G C -0.056 174.867 174.900 0.037 0.000 0.981 1309 G CA 0.303 45.419 45.100 0.025 0.000 0.670 1309 G HN 0.891 nan 8.290 nan 0.000 0.528 1310 I N 0.094 120.679 120.570 0.026 0.000 2.571 1310 I HA 0.455 4.626 4.170 0.002 0.000 0.289 1310 I C 0.070 176.208 176.117 0.034 0.000 1.115 1310 I CA -1.185 60.136 61.300 0.036 0.000 1.045 1310 I CB 1.368 39.373 38.000 0.008 0.000 1.238 1310 I HN 0.169 nan 8.210 nan 0.000 0.424 1311 H N 6.699 125.761 119.070 -0.014 0.000 2.707 1311 H HA 0.185 4.742 4.556 0.002 0.000 0.359 1311 H C 0.953 176.254 175.328 -0.044 0.000 1.113 1311 H CA 0.337 56.375 56.048 -0.017 0.000 1.422 1311 H CB 1.342 31.103 29.762 -0.002 0.000 1.443 1311 H HN 0.707 nan 8.280 nan 0.000 0.591 1312 R N 2.765 123.134 120.500 -0.219 0.000 2.119 1312 R HA -0.190 4.151 4.340 0.002 0.000 0.246 1312 R C 0.761 177.118 176.300 0.094 0.000 1.146 1312 R CA 2.076 58.133 56.100 -0.072 0.000 0.962 1312 R CB -0.341 29.861 30.300 -0.162 0.000 0.863 1312 R HN 0.704 nan 8.270 nan 0.000 0.442 1313 D N 0.544 121.178 120.400 0.391 0.000 2.123 1313 D HA -0.180 4.461 4.640 0.002 0.000 0.196 1313 D C 1.857 178.156 176.300 -0.001 0.000 0.992 1313 D CA 0.886 54.974 54.000 0.147 0.000 0.833 1313 D CB -0.292 40.539 40.800 0.051 0.000 0.954 1313 D HN 0.173 nan 8.370 nan 0.000 0.455 1314 L N 0.406 121.621 121.223 -0.013 0.000 2.109 1314 L HA -0.076 4.265 4.340 0.002 0.000 0.207 1314 L C 2.216 178.928 176.870 -0.263 0.000 1.086 1314 L CA 1.041 55.772 54.840 -0.181 0.000 0.760 1314 L CB -0.402 41.562 42.059 -0.158 0.000 0.910 1314 L HN -0.128 nan 8.230 nan 0.000 0.437 1315 V N -0.557 119.265 119.914 -0.153 0.000 2.287 1315 V HA -0.377 3.745 4.120 0.002 0.000 0.248 1315 V C 2.646 178.629 176.094 -0.186 0.000 1.053 1315 V CA 2.211 64.409 62.300 -0.170 0.000 1.027 1315 V CB -0.487 31.267 31.823 -0.114 0.000 0.646 1315 V HN 0.435 nan 8.190 nan 0.000 0.447 1316 M N -0.793 118.724 119.600 -0.137 0.000 2.073 1316 M HA -0.261 4.220 4.480 0.002 0.000 0.258 1316 M C 2.291 178.506 176.300 -0.142 0.000 1.070 1316 M CA 2.075 57.302 55.300 -0.122 0.000 1.103 1316 M CB -0.598 31.956 32.600 -0.077 0.000 1.321 1316 M HN 0.432 nan 8.290 nan 0.000 0.405 1317 E N -0.491 119.608 120.200 -0.168 0.000 2.077 1317 E HA -0.180 4.171 4.350 0.002 0.000 0.193 1317 E C 1.954 178.406 176.600 -0.246 0.000 0.989 1317 E CA 1.455 57.766 56.400 -0.149 0.000 0.800 1317 E CB -0.152 29.467 29.700 -0.134 0.000 0.746 1317 E HN 0.335 nan 8.360 nan 0.000 0.452 1318 V N 1.202 120.800 119.914 -0.526 0.000 2.343 1318 V HA -0.254 3.867 4.120 0.002 0.000 0.247 1318 V C 2.196 178.154 176.094 -0.227 0.000 1.051 1318 V CA 1.360 63.325 62.300 -0.559 0.000 1.036 1318 V CB -0.363 31.108 31.823 -0.586 0.000 0.654 1318 V HN 0.175 nan 8.190 nan 0.000 0.451 1319 L N -0.163 120.943 121.223 -0.195 0.000 2.072 1319 L HA -0.073 4.268 4.340 0.002 0.000 0.205 1319 L C 2.334 179.097 176.870 -0.178 0.000 1.079 1319 L CA 1.764 56.514 54.840 -0.150 0.000 0.752 1319 L CB -1.074 40.901 42.059 -0.141 0.000 0.906 1319 L HN 0.291 nan 8.230 nan 0.000 0.436 1320 K N 0.053 120.347 120.400 -0.176 0.000 2.103 1320 K HA -0.187 4.134 4.320 0.002 0.000 0.207 1320 K C 2.059 178.575 176.600 -0.139 0.000 1.048 1320 K CA 1.427 57.582 56.287 -0.220 0.000 0.930 1320 K CB -0.128 32.329 32.500 -0.072 0.000 0.716 1320 K HN 0.268 nan 8.250 nan 0.000 0.444 1321 A N 0.838 123.640 122.820 -0.030 0.000 2.019 1321 A HA -0.109 4.212 4.320 0.002 0.000 0.219 1321 A C 1.503 179.090 177.584 0.006 0.000 1.164 1321 A CA 1.373 53.429 52.037 0.032 0.000 0.644 1321 A CB -0.245 18.838 19.000 0.138 0.000 0.805 1321 A HN 0.302 nan 8.150 nan 0.000 0.449 1322 E N -0.991 119.193 120.200 -0.028 0.000 2.489 1322 E HA 0.186 4.538 4.350 0.002 0.000 0.193 1322 E C 1.078 177.671 176.600 -0.013 0.000 1.057 1322 E CA 0.592 56.995 56.400 0.006 0.000 0.866 1322 E CB -0.307 29.405 29.700 0.019 0.000 0.916 1322 E HN 0.768 nan 8.360 nan 0.000 0.500 1323 G N 0.605 109.340 108.800 -0.107 0.000 2.149 1323 G HA2 -0.244 3.717 3.960 0.002 0.000 0.235 1323 G HA3 -0.244 3.717 3.960 0.002 0.000 0.235 1323 G C 0.089 174.836 174.900 -0.255 0.000 1.018 1323 G CA 0.283 45.316 45.100 -0.112 0.000 0.728 1323 G HN 0.133 nan 8.290 nan 0.000 0.508 1324 V N 1.391 121.049 119.914 -0.426 0.000 2.325 1324 V HA 0.417 4.539 4.120 0.002 0.000 0.280 1324 V C -0.138 175.704 176.094 -0.419 0.000 1.016 1324 V CA -1.026 61.100 62.300 -0.291 0.000 0.818 1324 V CB 0.975 32.705 31.823 -0.154 0.000 1.019 1324 V HN 0.416 nan 8.190 nan 0.000 0.434 1325 H N 2.234 121.295 119.070 -0.015 0.000 2.761 1325 H HA 0.542 5.100 4.556 0.002 0.000 0.284 1325 H C 0.705 176.004 175.328 -0.048 0.000 1.105 1325 H CA -0.186 55.847 56.048 -0.025 0.000 1.352 1325 H CB 0.820 30.578 29.762 -0.007 0.000 1.423 1325 H HN 0.710 nan 8.280 nan 0.000 0.464 1326 T N 1.449 115.994 114.554 -0.014 0.000 2.948 1326 T HA 0.715 5.066 4.350 0.002 0.000 0.285 1326 T C 0.044 174.652 174.700 -0.155 0.000 1.019 1326 T CA -1.288 60.758 62.100 -0.091 0.000 1.013 1326 T CB 1.944 70.739 68.868 -0.122 0.000 1.117 1326 T HN 0.373 nan 8.240 nan 0.000 0.533 1327 R N -0.135 120.179 120.500 -0.310 0.000 2.771 1327 R HA 0.694 5.035 4.340 0.002 0.000 0.274 1327 R C -1.109 174.860 176.300 -0.552 0.000 0.987 1327 R CA -0.973 54.815 56.100 -0.521 0.000 0.908 1327 R CB 2.050 31.712 30.300 -1.062 0.000 1.213 1327 R HN 0.890 nan 8.270 nan 0.000 0.468 1328 A N 2.643 125.218 122.820 -0.409 0.000 2.621 1328 A HA 0.410 4.731 4.320 0.002 0.000 0.329 1328 A C -0.908 176.566 177.584 -0.183 0.000 1.458 1328 A CA -0.330 51.575 52.037 -0.220 0.000 1.052 1328 A CB -0.358 18.610 19.000 -0.053 0.000 1.142 1328 A HN 0.629 nan 8.150 nan 0.000 0.523 1329 Y N 2.048 122.162 120.300 -0.310 0.000 2.491 1329 Y HA 0.477 5.028 4.550 0.002 0.000 0.334 1329 Y C -0.719 174.795 175.900 -0.644 0.000 0.969 1329 Y CA -0.619 56.913 58.100 -0.946 0.000 1.241 1329 Y CB 0.837 38.618 38.460 -1.132 0.000 1.105 1329 Y HN 0.601 nan 8.280 nan 0.000 0.503 1330 F N 1.304 121.477 119.950 0.372 0.000 2.563 1330 F HA 0.621 5.149 4.527 0.002 0.000 0.316 1330 F C -0.070 175.828 175.800 0.165 0.000 1.076 1330 F CA -0.955 57.209 58.000 0.274 0.000 0.921 1330 F CB 2.356 41.469 39.000 0.188 0.000 1.209 1330 F HN 0.177 nan 8.300 nan 0.000 0.462 1331 S N 3.008 118.891 115.700 0.305 0.000 2.563 1331 S HA 0.669 5.141 4.470 0.002 0.000 0.279 1331 S C -2.960 171.719 174.600 0.133 0.000 1.155 1331 S CA -0.947 57.355 58.200 0.170 0.000 0.928 1331 S CB 1.257 64.534 63.200 0.128 0.000 1.107 1331 S HN 0.432 nan 8.310 nan 0.000 0.462 1332 P HA 0.509 nan 4.420 nan 0.000 0.306 1332 P C 0.518 177.805 177.300 -0.023 0.000 1.309 1332 P CA -0.381 62.726 63.100 0.011 0.000 0.759 1332 P CB -0.156 31.503 31.700 -0.068 0.000 1.314 1333 G N -1.063 107.685 108.800 -0.087 0.000 2.614 1333 G HA2 0.067 4.028 3.960 0.002 0.000 0.239 1333 G HA3 0.067 4.028 3.960 0.002 0.000 0.239 1333 G C 1.135 175.856 174.900 -0.299 0.000 1.240 1333 G CA -0.500 44.530 45.100 -0.116 0.000 0.842 1333 G HN 0.573 nan 8.290 nan 0.000 0.584 1334 C N 0.777 119.830 119.300 -0.411 0.000 2.419 1334 C HA -0.069 4.392 4.460 0.002 0.000 0.281 1334 C C 2.416 177.132 174.990 -0.456 0.000 1.336 1334 C CA 1.062 59.816 59.018 -0.439 0.000 1.770 1334 C CB -1.256 26.156 27.740 -0.547 0.000 1.929 1334 C HN 0.869 nan 8.230 nan 0.000 0.509 1335 H N 0.895 119.429 119.070 -0.893 0.000 2.560 1335 H HA -0.008 4.550 4.556 0.002 0.000 0.283 1335 H C 1.038 176.255 175.328 -0.186 0.000 1.028 1335 H CA 1.083 56.691 56.048 -0.732 0.000 1.221 1335 H CB -0.503 28.640 29.762 -1.031 0.000 1.363 1335 H HN 0.603 nan 8.280 nan 0.000 0.594 1336 E N 0.630 120.503 120.200 -0.544 0.000 2.501 1336 E HA 0.283 4.635 4.350 0.002 0.000 0.201 1336 E C 0.025 176.569 176.600 -0.093 0.000 1.016 1336 E CA -0.194 56.016 56.400 -0.317 0.000 0.920 1336 E CB 0.855 30.308 29.700 -0.412 0.000 1.023 1336 E HN 0.362 nan 8.360 nan 0.000 0.474 1337 L N 1.429 122.656 121.223 0.007 0.000 2.334 1337 L HA 0.295 4.636 4.340 0.002 0.000 0.270 1337 L C 0.574 177.481 176.870 0.061 0.000 1.018 1337 L CA -0.968 53.902 54.840 0.050 0.000 0.811 1337 L CB 1.352 43.447 42.059 0.060 0.000 1.271 1337 L HN -0.073 nan 8.230 nan 0.000 0.443 1338 E N 2.444 122.644 120.200 -0.000 0.000 2.373 1338 E HA 0.119 4.471 4.350 0.002 0.000 0.267 1338 E C -1.882 174.564 176.600 -0.257 0.000 1.032 1338 E CA -1.402 54.937 56.400 -0.102 0.000 0.889 1338 E CB 0.782 30.444 29.700 -0.063 0.000 0.984 1338 E HN 0.327 nan 8.360 nan 0.000 0.425 1339 P HA 0.066 nan 4.420 nan 0.000 0.258 1339 P C 0.237 177.356 177.300 -0.302 0.000 1.416 1339 P CA 0.299 63.189 63.100 -0.350 0.000 0.927 1339 P CB -0.137 31.385 31.700 -0.296 0.000 1.444 1340 Y N -0.006 120.431 120.300 0.228 0.000 2.395 1340 Y HA 0.066 4.617 4.550 0.002 0.000 0.293 1340 Y C 1.641 177.759 175.900 0.365 0.000 1.123 1340 Y CA -0.339 57.971 58.100 0.350 0.000 1.227 1340 Y CB -0.663 38.093 38.460 0.494 0.000 1.012 1340 Y HN -0.127 nan 8.280 nan 0.000 0.552 1341 R N 1.335 121.993 120.500 0.264 0.000 2.485 1341 R HA 0.041 4.382 4.340 0.002 0.000 0.304 1341 R C 1.173 177.571 176.300 0.163 0.000 0.934 1341 R CA 1.213 57.419 56.100 0.176 0.000 1.102 1341 R CB -0.364 29.977 30.300 0.068 0.000 0.906 1341 R HN 0.649 nan 8.270 nan 0.000 0.407 1342 G N 2.476 111.383 108.800 0.179 0.000 2.179 1342 G HA2 -0.317 3.644 3.960 0.002 0.000 0.260 1342 G HA3 -0.317 3.644 3.960 0.002 0.000 0.260 1342 G C -0.032 174.912 174.900 0.073 0.000 0.977 1342 G CA 0.470 45.638 45.100 0.114 0.000 0.641 1342 G HN 0.640 nan 8.290 nan 0.000 0.533 1343 Q N 0.483 120.324 119.800 0.067 0.000 2.199 1343 Q HA 0.486 4.827 4.340 0.002 0.000 0.232 1343 Q C -2.421 173.374 176.000 -0.341 0.000 0.969 1343 Q CA -1.927 53.809 55.803 -0.111 0.000 0.925 1343 Q CB 1.008 29.700 28.738 -0.077 0.000 1.198 1343 Q HN 0.139 nan 8.270 nan 0.000 0.494 1344 P HA 0.076 nan 4.420 nan 0.000 0.271 1344 P C -1.184 175.886 177.300 -0.383 0.000 1.226 1344 P CA 0.490 63.450 63.100 -0.232 0.000 0.765 1344 P CB 0.574 32.206 31.700 -0.113 0.000 0.835 1345 H N 0.428 119.549 119.070 0.086 0.000 2.895 1345 H HA 0.492 5.050 4.556 0.002 0.000 0.373 1345 H C 0.052 175.396 175.328 0.027 0.000 1.174 1345 H CA -0.825 55.271 56.048 0.081 0.000 1.144 1345 H CB 2.076 31.915 29.762 0.128 0.000 1.793 1345 H HN 0.416 nan 8.280 nan 0.000 0.551 1346 A N 2.767 125.672 122.820 0.142 0.000 2.455 1346 A HA 0.227 4.548 4.320 0.002 0.000 0.244 1346 A C -1.950 175.647 177.584 0.022 0.000 1.099 1346 A CA -0.796 51.274 52.037 0.055 0.000 0.786 1346 A CB -0.765 18.255 19.000 0.033 0.000 1.051 1346 A HN 0.425 nan 8.150 nan 0.000 0.508 1347 P HA 0.334 nan 4.420 nan 0.000 0.276 1347 P C -0.865 176.385 177.300 -0.082 0.000 1.230 1347 P CA 0.277 63.356 63.100 -0.036 0.000 0.776 1347 P CB 0.476 32.158 31.700 -0.031 0.000 0.888 1348 L N 4.716 125.857 121.223 -0.137 0.000 2.913 1348 L HA 0.246 4.588 4.340 0.002 0.000 0.283 1348 L C -1.469 175.319 176.870 -0.137 0.000 1.336 1348 L CA -1.258 53.472 54.840 -0.183 0.000 0.815 1348 L CB 1.429 43.229 42.059 -0.431 0.000 1.188 1348 L HN 0.216 nan 8.230 nan 0.000 0.551 1349 P HA -0.149 nan 4.420 nan 0.000 0.219 1349 P C 1.155 178.330 177.300 -0.207 0.000 1.150 1349 P CA 1.364 64.338 63.100 -0.210 0.000 0.814 1349 P CB 0.194 31.704 31.700 -0.316 0.000 0.787 1350 H N -0.404 118.664 119.070 -0.004 0.000 2.363 1350 H HA -0.005 4.552 4.556 0.002 0.000 0.301 1350 H C 1.954 177.287 175.328 0.009 0.000 1.074 1350 H CA 1.683 57.734 56.048 0.005 0.000 1.354 1350 H CB -1.317 28.445 29.762 -0.001 0.000 1.397 1350 H HN 0.109 nan 8.280 nan 0.000 0.516 1351 T N 1.345 115.954 114.554 0.091 0.000 2.674 1351 T HA -0.122 4.230 4.350 0.002 0.000 0.265 1351 T C 1.862 176.609 174.700 0.079 0.000 1.039 1351 T CA 1.422 63.554 62.100 0.055 0.000 1.150 1351 T CB -0.095 68.762 68.868 -0.019 0.000 0.864 1351 T HN 0.506 nan 8.240 nan 0.000 0.427 1352 E N 0.622 120.864 120.200 0.071 0.000 2.153 1352 E HA -0.130 4.221 4.350 0.002 0.000 0.194 1352 E C 2.403 179.048 176.600 0.076 0.000 0.988 1352 E CA 0.644 57.099 56.400 0.092 0.000 0.811 1352 E CB -0.120 29.634 29.700 0.091 0.000 0.746 1352 E HN 0.338 nan 8.360 nan 0.000 0.466 1353 R N 0.799 121.339 120.500 0.066 0.000 2.090 1353 R HA -0.112 4.229 4.340 0.002 0.000 0.228 1353 R C 2.338 178.685 176.300 0.079 0.000 1.110 1353 R CA 0.672 56.812 56.100 0.067 0.000 0.973 1353 R CB -0.081 30.261 30.300 0.069 0.000 0.869 1353 R HN 0.132 nan 8.270 nan 0.000 0.440 1354 L N 0.816 122.100 121.223 0.102 0.000 2.072 1354 L HA 0.053 4.394 4.340 0.002 0.000 0.205 1354 L C 2.247 179.191 176.870 0.124 0.000 1.079 1354 L CA 1.993 56.906 54.840 0.121 0.000 0.752 1354 L CB -0.708 41.437 42.059 0.144 0.000 0.906 1354 L HN 0.205 nan 8.230 nan 0.000 0.436 1355 A N -0.502 122.390 122.820 0.119 0.000 2.024 1355 A HA -0.133 4.188 4.320 0.002 0.000 0.220 1355 A C 2.318 179.963 177.584 0.102 0.000 1.164 1355 A CA 1.734 53.846 52.037 0.125 0.000 0.643 1355 A CB -0.981 18.087 19.000 0.112 0.000 0.806 1355 A HN 0.551 nan 8.150 nan 0.000 0.451 1356 A N -0.798 122.070 122.820 0.080 0.000 2.169 1356 A HA 0.091 4.412 4.320 0.002 0.000 0.212 1356 A C 2.072 179.626 177.584 -0.049 0.000 1.153 1356 A CA 0.904 52.976 52.037 0.058 0.000 0.756 1356 A CB -0.168 18.874 19.000 0.071 0.000 0.813 1356 A HN 0.571 nan 8.150 nan 0.000 0.471 1357 R N -0.330 120.156 120.500 -0.023 0.000 2.206 1357 R HA 0.135 4.476 4.340 0.002 0.000 0.198 1357 R C 0.634 176.902 176.300 -0.054 0.000 0.986 1357 R CA 0.555 56.615 56.100 -0.068 0.000 1.029 1357 R CB -0.335 29.946 30.300 -0.031 0.000 0.966 1357 R HN 0.395 nan 8.270 nan 0.000 0.487 1358 V N 0.873 120.788 119.914 0.001 0.000 2.655 1358 V HA 0.282 4.403 4.120 0.002 0.000 0.300 1358 V C -0.313 175.730 176.094 -0.085 0.000 1.044 1358 V CA -0.435 61.852 62.300 -0.021 0.000 1.095 1358 V CB 0.801 32.684 31.823 0.100 0.000 0.952 1358 V HN -0.003 nan 8.190 nan 0.000 0.485 1359 L N 4.414 125.545 121.223 -0.155 0.000 2.470 1359 L HA 0.627 4.968 4.340 0.002 0.000 0.268 1359 L C -0.141 176.587 176.870 -0.236 0.000 0.964 1359 L CA 0.153 54.883 54.840 -0.182 0.000 0.839 1359 L CB 2.071 44.035 42.059 -0.160 0.000 1.276 1359 L HN 0.887 nan 8.230 nan 0.000 0.403 1360 S N 4.758 120.308 115.700 -0.249 0.000 2.457 1360 S HA 0.741 5.212 4.470 0.002 0.000 0.289 1360 S C -0.483 174.008 174.600 -0.182 0.000 1.163 1360 S CA -0.490 57.584 58.200 -0.211 0.000 1.078 1360 S CB 0.217 63.334 63.200 -0.137 0.000 0.987 1360 S HN 0.542 nan 8.310 nan 0.000 0.482 1361 L N 5.326 126.427 121.223 -0.203 0.000 2.344 1361 L HA 0.516 4.857 4.340 0.002 0.000 0.272 1361 L C -2.232 174.607 176.870 -0.051 0.000 1.035 1361 L CA -2.709 52.023 54.840 -0.179 0.000 0.807 1361 L CB 0.999 42.799 42.059 -0.431 0.000 1.237 1361 L HN 0.406 nan 8.230 nan 0.000 0.442 1362 P HA 0.071 nan 4.420 nan 0.000 0.264 1362 P C -0.462 176.930 177.300 0.154 0.000 1.193 1362 P CA 0.320 63.474 63.100 0.089 0.000 0.763 1362 P CB 0.892 32.643 31.700 0.086 0.000 0.810 1363 T N 0.982 115.600 114.554 0.107 0.000 2.598 1363 T HA 0.705 5.056 4.350 0.002 0.000 0.289 1363 T C -0.295 174.443 174.700 0.063 0.000 1.056 1363 T CA 0.323 62.494 62.100 0.119 0.000 1.088 1363 T CB 0.681 69.644 68.868 0.158 0.000 1.519 1363 T HN 0.670 nan 8.240 nan 0.000 0.488 1364 G N 0.256 109.091 108.800 0.059 0.000 2.760 1364 G HA2 -0.177 3.785 3.960 0.002 0.000 0.246 1364 G HA3 -0.177 3.785 3.960 0.002 0.000 0.246 1364 G C 0.870 175.788 174.900 0.030 0.000 1.359 1364 G CA 0.796 45.919 45.100 0.039 0.000 0.861 1364 G HN 1.683 nan 8.290 nan 0.000 0.541 1365 T N -2.186 112.381 114.554 0.022 0.000 3.025 1365 T HA 0.266 4.617 4.350 0.002 0.000 0.270 1365 T C 2.370 177.073 174.700 0.005 0.000 1.126 1365 T CA 2.150 64.257 62.100 0.012 0.000 1.105 1365 T CB -0.149 68.725 68.868 0.010 0.000 0.884 1365 T HN 2.053 nan 8.240 nan 0.000 0.522 1366 A N 0.745 123.570 122.820 0.008 0.000 2.119 1366 A HA 0.388 4.709 4.320 0.002 0.000 0.216 1366 A C 0.975 178.558 177.584 -0.002 0.000 1.152 1366 A CA 0.138 52.178 52.037 0.004 0.000 0.708 1366 A CB -0.125 18.881 19.000 0.010 0.000 0.805 1366 A HN 0.523 nan 8.150 nan 0.000 0.460 1367 I N -0.170 120.400 120.570 0.000 0.000 2.392 1367 I HA 0.517 4.688 4.170 0.002 0.000 0.295 1367 I C 0.643 176.737 176.117 -0.039 0.000 0.985 1367 I CA -0.058 61.231 61.300 -0.018 0.000 1.221 1367 I CB 0.956 38.962 38.000 0.009 0.000 1.366 1367 I HN 0.143 nan 8.210 nan 0.000 0.467 1368 G N 3.635 112.395 108.800 -0.067 0.000 2.816 1368 G HA2 0.367 4.328 3.960 0.002 0.000 0.288 1368 G HA3 0.367 4.328 3.960 0.002 0.000 0.288 1368 G C 0.322 175.153 174.900 -0.115 0.000 1.334 1368 G CA -0.342 44.713 45.100 -0.075 0.000 0.978 1368 G HN 0.554 nan 8.290 nan 0.000 0.493 1369 D N 0.322 120.663 120.400 -0.098 0.000 2.133 1369 D HA -0.161 4.481 4.640 0.002 0.000 0.192 1369 D C 1.462 177.673 176.300 -0.148 0.000 1.001 1369 D CA 1.465 55.402 54.000 -0.105 0.000 0.844 1369 D CB 0.027 40.798 40.800 -0.047 0.000 0.944 1369 D HN 0.337 nan 8.370 nan 0.000 0.447 1370 D N 0.862 121.185 120.400 -0.128 0.000 2.117 1370 D HA -0.116 4.525 4.640 0.002 0.000 0.197 1370 D C 1.647 177.815 176.300 -0.221 0.000 0.987 1370 D CA 0.809 54.719 54.000 -0.151 0.000 0.829 1370 D CB -0.272 40.467 40.800 -0.102 0.000 0.961 1370 D HN 0.249 nan 8.370 nan 0.000 0.460 1371 D N 0.451 120.726 120.400 -0.208 0.000 2.097 1371 D HA -0.094 4.547 4.640 0.002 0.000 0.195 1371 D C 2.390 178.536 176.300 -0.258 0.000 0.989 1371 D CA 0.428 54.287 54.000 -0.235 0.000 0.827 1371 D CB -0.163 40.541 40.800 -0.160 0.000 0.966 1371 D HN 0.277 nan 8.370 nan 0.000 0.456 1372 I N 0.805 121.197 120.570 -0.298 0.000 2.163 1372 I HA -0.268 3.903 4.170 0.002 0.000 0.243 1372 I C 2.753 178.639 176.117 -0.386 0.000 1.085 1372 I CA 1.045 62.073 61.300 -0.453 0.000 1.347 1372 I CB -0.198 37.433 38.000 -0.615 0.000 1.044 1372 I HN -0.087 nan 8.210 nan 0.000 0.408 1373 R N 0.679 120.929 120.500 -0.418 0.000 2.081 1373 R HA -0.214 4.128 4.340 0.002 0.000 0.235 1373 R C 2.536 178.664 176.300 -0.286 0.000 1.131 1373 R CA 1.701 57.506 56.100 -0.492 0.000 0.960 1373 R CB -0.285 29.755 30.300 -0.433 0.000 0.856 1373 R HN 0.320 nan 8.270 nan 0.000 0.436 1374 R N 0.492 120.830 120.500 -0.270 0.000 2.091 1374 R HA -0.131 4.210 4.340 0.002 0.000 0.238 1374 R C 2.157 178.366 176.300 -0.152 0.000 1.136 1374 R CA 1.932 57.887 56.100 -0.241 0.000 0.959 1374 R CB -0.566 29.436 30.300 -0.496 0.000 0.856 1374 R HN 0.260 nan 8.270 nan 0.000 0.437 1375 V N 0.466 120.301 119.914 -0.131 0.000 2.323 1375 V HA -0.037 4.084 4.120 0.002 0.000 0.244 1375 V C 2.311 178.410 176.094 0.010 0.000 1.041 1375 V CA 1.907 64.189 62.300 -0.030 0.000 1.025 1375 V CB -0.572 31.280 31.823 0.049 0.000 0.656 1375 V HN 0.458 nan 8.190 nan 0.000 0.451 1376 A N 0.039 122.865 122.820 0.010 0.000 1.908 1376 A HA -0.276 4.045 4.320 0.002 0.000 0.218 1376 A C 1.939 179.520 177.584 -0.005 0.000 1.181 1376 A CA 2.297 54.358 52.037 0.041 0.000 0.627 1376 A CB -1.065 17.954 19.000 0.032 0.000 0.818 1376 A HN 0.637 nan 8.150 nan 0.000 0.445 1377 D N -0.280 120.091 120.400 -0.048 0.000 2.123 1377 D HA -0.126 4.515 4.640 0.002 0.000 0.196 1377 D C 1.893 178.187 176.300 -0.009 0.000 0.992 1377 D CA 0.903 54.885 54.000 -0.031 0.000 0.833 1377 D CB -0.319 40.459 40.800 -0.037 0.000 0.954 1377 D HN 0.423 nan 8.370 nan 0.000 0.455 1378 L N 0.123 121.340 121.223 -0.011 0.000 2.056 1378 L HA -0.106 4.235 4.340 0.002 0.000 0.207 1378 L C 2.418 179.276 176.870 -0.021 0.000 1.078 1378 L CA 0.609 55.444 54.840 -0.009 0.000 0.749 1378 L CB -0.112 41.937 42.059 -0.018 0.000 0.901 1378 L HN 0.089 nan 8.230 nan 0.000 0.433 1379 L N -0.722 120.489 121.223 -0.020 0.000 2.056 1379 L HA -0.244 4.097 4.340 0.002 0.000 0.207 1379 L C 2.754 179.612 176.870 -0.020 0.000 1.078 1379 L CA 1.127 55.950 54.840 -0.028 0.000 0.749 1379 L CB -0.436 41.611 42.059 -0.020 0.000 0.901 1379 L HN 0.280 nan 8.230 nan 0.000 0.433 1380 R N 0.199 120.695 120.500 -0.007 0.000 2.081 1380 R HA -0.229 4.112 4.340 0.002 0.000 0.235 1380 R C 2.320 178.618 176.300 -0.003 0.000 1.131 1380 R CA 1.514 57.612 56.100 -0.003 0.000 0.960 1380 R CB -0.264 30.039 30.300 0.004 0.000 0.856 1380 R HN 0.192 nan 8.270 nan 0.000 0.436 1381 L N 0.588 121.811 121.223 -0.000 0.000 1.989 1381 L HA -0.219 4.122 4.340 0.002 0.000 0.211 1381 L C 2.180 179.052 176.870 0.004 0.000 1.071 1381 L CA 1.869 56.714 54.840 0.007 0.000 0.749 1381 L CB -0.857 41.212 42.059 0.017 0.000 0.890 1381 L HN 0.294 nan 8.230 nan 0.000 0.431 1382 C N -0.174 119.119 119.300 -0.011 0.000 2.401 1382 C HA -0.173 4.288 4.460 0.002 0.000 0.276 1382 C C 3.005 177.985 174.990 -0.018 0.000 1.233 1382 C CA 0.824 59.827 59.018 -0.024 0.000 1.753 1382 C CB -1.784 25.921 27.740 -0.058 0.000 2.029 1382 C HN 0.748 nan 8.230 nan 0.000 0.478 1383 A N 0.670 123.478 122.820 -0.020 0.000 1.897 1383 A HA -0.141 4.180 4.320 0.002 0.000 0.215 1383 A C 2.256 179.835 177.584 -0.007 0.000 1.181 1383 A CA 2.283 54.309 52.037 -0.018 0.000 0.620 1383 A CB -0.996 17.991 19.000 -0.022 0.000 0.821 1383 A HN 0.674 nan 8.150 nan 0.000 0.443 1384 T N -3.640 110.913 114.554 -0.003 0.000 3.067 1384 T HA 0.087 4.438 4.350 0.002 0.000 0.261 1384 T C 1.252 175.956 174.700 0.006 0.000 1.110 1384 T CA 0.612 62.713 62.100 0.002 0.000 1.113 1384 T CB -0.036 68.834 68.868 0.003 0.000 0.917 1384 T HN 0.368 nan 8.240 nan 0.000 0.499 1385 R N 0.345 120.851 120.500 0.010 0.000 2.600 1385 R HA 0.359 4.700 4.340 0.002 0.000 0.392 1385 R C 2.117 178.433 176.300 0.025 0.000 1.032 1385 R CA 0.314 56.424 56.100 0.017 0.000 1.139 1385 R CB -0.071 30.242 30.300 0.021 0.000 1.400 1385 R HN 0.443 nan 8.270 nan 0.000 0.566 1386 G N 2.089 110.900 108.800 0.019 0.000 2.599 1386 G HA2 -0.351 3.610 3.960 0.002 0.000 0.219 1386 G HA3 -0.351 3.610 3.960 0.002 0.000 0.219 1386 G C 1.522 176.447 174.900 0.042 0.000 1.193 1386 G CA 0.783 45.897 45.100 0.023 0.000 0.778 1386 G HN 0.266 nan 8.290 nan 0.000 0.589 1387 R N 0.133 120.653 120.500 0.034 0.000 2.096 1387 R HA -0.113 4.228 4.340 0.002 0.000 0.240 1387 R C 2.600 178.926 176.300 0.044 0.000 1.139 1387 R CA 1.690 57.813 56.100 0.038 0.000 0.952 1387 R CB -0.394 29.921 30.300 0.025 0.000 0.854 1387 R HN 0.623 nan 8.270 nan 0.000 0.436 1388 E N 0.791 121.011 120.200 0.033 0.000 2.107 1388 E HA -0.154 4.197 4.350 0.002 0.000 0.191 1388 E C 2.058 178.684 176.600 0.044 0.000 0.982 1388 E CA 0.600 57.014 56.400 0.022 0.000 0.809 1388 E CB 0.022 29.722 29.700 0.000 0.000 0.756 1388 E HN 0.312 nan 8.360 nan 0.000 0.459 1389 L N 0.684 121.956 121.223 0.081 0.000 2.046 1389 L HA -0.154 4.187 4.340 0.002 0.000 0.208 1389 L C 2.397 179.421 176.870 0.256 0.000 1.077 1389 L CA 1.645 56.593 54.840 0.180 0.000 0.747 1389 L CB -0.320 41.833 42.059 0.157 0.000 0.896 1389 L HN 0.227 nan 8.230 nan 0.000 0.432 1390 T N -0.186 114.470 114.554 0.171 0.000 2.708 1390 T HA -0.170 4.181 4.350 0.002 0.000 0.266 1390 T C 1.886 176.713 174.700 0.212 0.000 1.037 1390 T CA 1.257 63.478 62.100 0.202 0.000 1.146 1390 T CB -0.325 68.621 68.868 0.131 0.000 0.865 1390 T HN 0.531 nan 8.240 nan 0.000 0.435 1391 A N 1.912 124.810 122.820 0.129 0.000 1.873 1391 A HA -0.214 4.107 4.320 0.002 0.000 0.218 1391 A C 2.263 179.903 177.584 0.093 0.000 1.193 1391 A CA 2.337 54.425 52.037 0.086 0.000 0.629 1391 A CB -0.715 18.311 19.000 0.044 0.000 0.826 1391 A HN 0.486 nan 8.150 nan 0.000 0.447 1392 R N -1.513 119.038 120.500 0.086 0.000 2.120 1392 R HA -0.223 4.118 4.340 0.002 0.000 0.234 1392 R C 2.137 178.586 176.300 0.248 0.000 1.123 1392 R CA 2.050 58.174 56.100 0.040 0.000 0.975 1392 R CB -0.479 29.693 30.300 -0.213 0.000 0.866 1392 R HN 0.744 nan 8.270 nan 0.000 0.446 1393 H N 0.258 119.521 119.070 0.321 0.000 2.363 1393 H HA 0.037 4.594 4.556 0.002 0.000 0.301 1393 H C 1.953 177.412 175.328 0.218 0.000 1.074 1393 H CA 1.791 58.088 56.048 0.414 0.000 1.354 1393 H CB -0.053 29.955 29.762 0.410 0.000 1.397 1393 H HN 0.098 nan 8.280 nan 0.000 0.516 1394 R N 0.393 120.920 120.500 0.046 0.000 2.139 1394 R HA -0.112 4.229 4.340 0.002 0.000 0.243 1394 R C 0.087 176.350 176.300 -0.061 0.000 1.145 1394 R CA 1.201 57.267 56.100 -0.058 0.000 0.976 1394 R CB -0.285 30.029 30.300 0.024 0.000 0.866 1394 R HN 0.435 nan 8.270 nan 0.000 0.449 1395 D N 0.000 120.394 120.400 -0.010 0.000 6.856 1395 D HA 0.000 4.641 4.640 0.002 0.000 0.175 1395 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 1395 D CB 0.000 40.808 40.800 0.013 0.000 0.688 1395 D HN 0.000 nan 8.370 nan 0.000 0.683