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 2oec_1_C DATA FIRST_RESID 1003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQXXXXNAE TMKQTESHAV KIVVEAARRL DATA SEQUENCE L 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1003 K C 0.000 176.590 176.600 -0.016 0.000 0.988 1003 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 1003 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 1004 S N 0.847 116.533 115.700 -0.023 0.000 2.543 1004 S HA 0.365 4.846 4.470 0.018 0.000 0.273 1004 S C -1.115 173.476 174.600 -0.014 0.000 1.152 1004 S CA -0.416 57.767 58.200 -0.027 0.000 0.910 1004 S CB 1.442 64.601 63.200 -0.068 0.000 1.105 1004 S HN 0.082 nan 8.310 nan 0.000 0.465 1005 D N 1.587 121.985 120.400 -0.002 0.000 2.350 1005 D HA 0.151 4.802 4.640 0.018 0.000 0.213 1005 D C 0.810 177.124 176.300 0.023 0.000 1.031 1005 D CA 0.856 54.862 54.000 0.010 0.000 0.861 1005 D CB 0.606 41.413 40.800 0.013 0.000 0.926 1005 D HN 0.461 nan 8.370 nan 0.000 0.520 1006 V N -2.544 117.380 119.914 0.018 0.000 3.074 1006 V HA 0.403 4.533 4.120 0.018 0.000 0.314 1006 V C 0.755 176.872 176.094 0.038 0.000 1.117 1006 V CA -1.001 61.327 62.300 0.046 0.000 1.014 1006 V CB 1.697 33.544 31.823 0.040 0.000 1.057 1006 V HN -0.172 nan 8.190 nan 0.000 0.438 1007 F N 0.581 120.477 119.950 -0.091 0.000 2.293 1007 F HA 0.141 4.679 4.527 0.018 0.000 0.297 1007 F C 1.837 177.430 175.800 -0.345 0.000 1.089 1007 F CA 2.174 60.040 58.000 -0.224 0.000 1.377 1007 F CB 0.011 38.843 39.000 -0.281 0.000 1.051 1007 F HN 0.818 nan 8.300 nan 0.000 0.511 1008 H N -1.449 117.559 119.070 -0.103 0.000 2.430 1008 H HA 0.244 4.811 4.556 0.018 0.000 0.297 1008 H C 2.057 177.303 175.328 -0.137 0.000 1.016 1008 H CA 0.829 56.780 56.048 -0.162 0.000 1.294 1008 H CB -0.179 29.528 29.762 -0.092 0.000 1.465 1008 H HN 0.057 nan 8.280 nan 0.000 0.547 1009 L N 0.033 121.245 121.223 -0.018 0.000 2.275 1009 L HA 0.054 4.404 4.340 0.018 0.000 0.215 1009 L C 1.205 178.147 176.870 0.119 0.000 1.119 1009 L CA 0.872 55.735 54.840 0.039 0.000 0.790 1009 L CB -0.418 41.630 42.059 -0.017 0.000 0.919 1009 L HN 0.612 nan 8.230 nan 0.000 0.443 1010 G N 0.968 109.735 108.800 -0.055 0.000 2.198 1010 G HA2 -0.281 3.689 3.960 0.018 0.000 0.260 1010 G HA3 -0.281 3.689 3.960 0.018 0.000 0.260 1010 G C -0.034 174.888 174.900 0.037 0.000 1.025 1010 G CA 0.097 45.143 45.100 -0.090 0.000 0.769 1010 G HN 0.268 nan 8.290 nan 0.000 0.507 1011 L N 0.383 121.620 121.223 0.023 0.000 2.334 1011 L HA 0.796 5.147 4.340 0.018 0.000 0.273 1011 L C 0.926 177.803 176.870 0.010 0.000 1.013 1011 L CA -0.504 54.352 54.840 0.027 0.000 0.816 1011 L CB 2.139 44.219 42.059 0.035 0.000 1.278 1011 L HN 0.333 nan 8.230 nan 0.000 0.431 1012 T N -2.745 111.814 114.554 0.008 0.000 2.949 1012 T HA 0.305 4.666 4.350 0.018 0.000 0.287 1012 T C 0.674 175.377 174.700 0.005 0.000 1.034 1012 T CA -0.829 61.274 62.100 0.004 0.000 1.018 1012 T CB 2.042 70.910 68.868 -0.000 0.000 1.135 1012 T HN 0.578 nan 8.240 nan 0.000 0.532 1013 K N 0.270 120.674 120.400 0.005 0.000 2.097 1013 K HA -0.152 4.178 4.320 0.018 0.000 0.206 1013 K C 2.125 178.725 176.600 -0.001 0.000 1.049 1013 K CA 1.351 57.640 56.287 0.004 0.000 0.933 1013 K CB -0.317 32.186 32.500 0.005 0.000 0.717 1013 K HN 0.600 nan 8.250 nan 0.000 0.442 1014 N N 1.419 120.117 118.700 -0.002 0.000 2.094 1014 N HA -0.188 4.563 4.740 0.018 0.000 0.191 1014 N C 0.998 176.503 175.510 -0.009 0.000 1.023 1014 N CA 1.791 54.837 53.050 -0.006 0.000 0.857 1014 N CB -0.205 38.278 38.487 -0.007 0.000 1.013 1014 N HN 0.215 nan 8.380 nan 0.000 0.426 1015 D N -0.331 120.064 120.400 -0.009 0.000 2.158 1015 D HA -0.141 4.510 4.640 0.018 0.000 0.197 1015 D C 1.642 177.936 176.300 -0.011 0.000 0.995 1015 D CA 0.749 54.742 54.000 -0.013 0.000 0.846 1015 D CB -0.189 40.606 40.800 -0.008 0.000 0.941 1015 D HN 0.267 nan 8.370 nan 0.000 0.456 1016 L N 0.426 121.646 121.223 -0.005 0.000 2.395 1016 L HA -0.014 4.336 4.340 0.018 0.000 0.218 1016 L C 0.733 177.598 176.870 -0.009 0.000 1.130 1016 L CA 0.667 55.504 54.840 -0.005 0.000 0.826 1016 L CB -0.532 41.522 42.059 -0.007 0.000 0.941 1016 L HN 0.044 nan 8.230 nan 0.000 0.451 1017 Q N -0.268 119.527 119.800 -0.009 0.000 2.435 1017 Q HA -0.290 4.060 4.340 0.018 0.000 0.312 1017 Q C 1.138 177.132 176.000 -0.009 0.000 1.333 1017 Q CA 0.405 56.203 55.803 -0.009 0.000 0.883 1017 Q CB -2.150 26.583 28.738 -0.009 0.000 1.170 1017 Q HN 0.634 nan 8.270 nan 0.000 0.443 1018 G N -1.950 106.844 108.800 -0.010 0.000 2.157 1018 G HA2 -0.266 3.705 3.960 0.018 0.000 0.248 1018 G HA3 -0.266 3.705 3.960 0.018 0.000 0.248 1018 G C 0.301 175.189 174.900 -0.019 0.000 0.979 1018 G CA 0.217 45.310 45.100 -0.012 0.000 0.650 1018 G HN 1.143 nan 8.290 nan 0.000 0.529 1019 A N -0.322 122.484 122.820 -0.023 0.000 2.498 1019 A HA 0.581 4.912 4.320 0.018 0.000 0.239 1019 A C 1.078 178.629 177.584 -0.056 0.000 1.068 1019 A CA 1.313 53.328 52.037 -0.036 0.000 0.766 1019 A CB 0.214 19.194 19.000 -0.033 0.000 1.003 1019 A HN 0.601 nan 8.150 nan 0.000 0.497 1020 Q N 0.740 120.496 119.800 -0.074 0.000 2.140 1020 Q HA 0.317 4.668 4.340 0.018 0.000 0.227 1020 Q C -0.577 175.320 176.000 -0.172 0.000 0.798 1020 Q CA -0.020 55.722 55.803 -0.103 0.000 0.987 1020 Q CB 0.760 29.458 28.738 -0.067 0.000 1.161 1020 Q HN 0.693 nan 8.270 nan 0.000 0.480 1021 L N 0.869 121.995 121.223 -0.161 0.000 2.385 1021 L HA 0.827 5.177 4.340 0.018 0.000 0.273 1021 L C -1.714 175.041 176.870 -0.192 0.000 0.990 1021 L CA -0.670 54.051 54.840 -0.199 0.000 0.821 1021 L CB 1.690 43.680 42.059 -0.115 0.000 1.279 1021 L HN -0.048 nan 8.230 nan 0.000 0.412 1022 A N 5.793 128.451 122.820 -0.271 0.000 2.371 1022 A HA 0.717 5.048 4.320 0.018 0.000 0.311 1022 A C -0.934 176.620 177.584 -0.050 0.000 1.068 1022 A CA -0.591 51.358 52.037 -0.146 0.000 0.744 1022 A CB 1.136 20.041 19.000 -0.158 0.000 1.239 1022 A HN 0.681 nan 8.150 nan 0.000 0.435 1023 I N 2.364 122.937 120.570 0.005 0.000 2.365 1023 I HA 0.386 4.567 4.170 0.018 0.000 0.291 1023 I C -0.231 175.927 176.117 0.069 0.000 1.004 1023 I CA -0.674 60.646 61.300 0.034 0.000 1.311 1023 I CB 1.752 39.762 38.000 0.017 0.000 1.401 1023 I HN 0.454 nan 8.210 nan 0.000 0.491 1024 V N 4.921 124.891 119.914 0.092 0.000 2.289 1024 V HA 0.489 4.620 4.120 0.018 0.000 0.272 1024 V C -2.691 173.447 176.094 0.073 0.000 1.026 1024 V CA -2.103 60.263 62.300 0.109 0.000 0.807 1024 V CB 0.346 32.268 31.823 0.166 0.000 1.044 1024 V HN 0.451 nan 8.190 nan 0.000 0.443 1025 P HA 0.384 nan 4.420 nan 0.000 0.276 1025 P C 1.047 178.368 177.300 0.035 0.000 1.261 1025 P CA 0.238 63.355 63.100 0.029 0.000 0.800 1025 P CB 1.336 33.040 31.700 0.007 0.000 1.066 1026 G N -0.843 107.967 108.800 0.016 0.000 2.459 1026 G HA2 -0.042 3.928 3.960 0.018 0.000 0.213 1026 G HA3 -0.042 3.928 3.960 0.018 0.000 0.213 1026 G C 0.071 174.964 174.900 -0.011 0.000 1.155 1026 G CA 0.393 45.497 45.100 0.008 0.000 0.811 1026 G HN 0.490 nan 8.290 nan 0.000 0.534 1027 D N 0.489 120.877 120.400 -0.019 0.000 2.316 1027 D HA 0.303 4.954 4.640 0.018 0.000 0.245 1027 D C -1.438 174.846 176.300 -0.027 0.000 1.171 1027 D CA -2.428 51.552 54.000 -0.033 0.000 0.856 1027 D CB 1.936 42.712 40.800 -0.039 0.000 1.090 1027 D HN -0.064 nan 8.370 nan 0.000 0.476 1028 P HA -0.113 nan 4.420 nan 0.000 0.218 1028 P C 0.437 177.727 177.300 -0.017 0.000 1.146 1028 P CA 1.057 64.154 63.100 -0.005 0.000 0.813 1028 P CB 0.291 31.983 31.700 -0.014 0.000 0.778 1029 E N -1.152 119.026 120.200 -0.037 0.000 2.502 1029 E HA 0.011 4.372 4.350 0.018 0.000 0.194 1029 E C 1.498 178.046 176.600 -0.086 0.000 1.062 1029 E CA 0.098 56.467 56.400 -0.052 0.000 0.867 1029 E CB 0.021 29.695 29.700 -0.044 0.000 0.888 1029 E HN 0.207 nan 8.360 nan 0.000 0.510 1030 R N -0.209 120.240 120.500 -0.085 0.000 2.334 1030 R HA 0.098 4.449 4.340 0.018 0.000 0.212 1030 R C 1.827 178.035 176.300 -0.153 0.000 0.897 1030 R CA 0.185 56.222 56.100 -0.105 0.000 1.056 1030 R CB 0.086 30.344 30.300 -0.070 0.000 1.046 1030 R HN 0.060 nan 8.270 nan 0.000 0.513 1031 V N 1.936 121.750 119.914 -0.166 0.000 2.261 1031 V HA -0.257 3.873 4.120 0.018 0.000 0.246 1031 V C 2.034 177.806 176.094 -0.535 0.000 1.047 1031 V CA 1.957 64.119 62.300 -0.229 0.000 1.015 1031 V CB -0.432 31.329 31.823 -0.103 0.000 0.642 1031 V HN 0.307 nan 8.190 nan 0.000 0.446 1032 E N 0.354 120.076 120.200 -0.795 0.000 2.070 1032 E HA -0.284 4.077 4.350 0.018 0.000 0.197 1032 E C 2.228 178.432 176.600 -0.660 0.000 1.004 1032 E CA 1.666 57.349 56.400 -1.196 0.000 0.805 1032 E CB -0.274 28.940 29.700 -0.809 0.000 0.744 1032 E HN 0.607 nan 8.360 nan 0.000 0.451 1033 K N 0.412 120.582 120.400 -0.384 0.000 2.097 1033 K HA -0.107 4.223 4.320 0.018 0.000 0.206 1033 K C 2.188 178.669 176.600 -0.198 0.000 1.049 1033 K CA 1.102 57.245 56.287 -0.240 0.000 0.933 1033 K CB -0.130 32.270 32.500 -0.165 0.000 0.717 1033 K HN 0.138 nan 8.250 nan 0.000 0.442 1034 I N 1.209 121.663 120.570 -0.194 0.000 2.202 1034 I HA -0.243 3.937 4.170 0.018 0.000 0.242 1034 I C 2.567 178.610 176.117 -0.124 0.000 1.091 1034 I CA 0.997 62.220 61.300 -0.128 0.000 1.368 1034 I CB -0.407 37.537 38.000 -0.093 0.000 1.058 1034 I HN 0.134 nan 8.210 nan 0.000 0.410 1035 A N 0.851 123.559 122.820 -0.186 0.000 1.948 1035 A HA -0.223 4.108 4.320 0.018 0.000 0.220 1035 A C 2.469 180.007 177.584 -0.076 0.000 1.177 1035 A CA 1.926 53.901 52.037 -0.103 0.000 0.636 1035 A CB -0.872 18.053 19.000 -0.124 0.000 0.815 1035 A HN 0.454 nan 8.150 nan 0.000 0.449 1036 A N -0.607 122.118 122.820 -0.159 0.000 2.125 1036 A HA 0.059 4.390 4.320 0.018 0.000 0.219 1036 A C 1.899 179.453 177.584 -0.051 0.000 1.156 1036 A CA 1.191 53.170 52.037 -0.095 0.000 0.671 1036 A CB -0.479 18.441 19.000 -0.135 0.000 0.794 1036 A HN 0.495 nan 8.150 nan 0.000 0.459 1037 L N -1.615 119.576 121.223 -0.053 0.000 2.492 1037 L HA 0.123 4.474 4.340 0.018 0.000 0.223 1037 L C 0.951 177.813 176.870 -0.014 0.000 1.132 1037 L CA 0.247 55.066 54.840 -0.035 0.000 0.850 1037 L CB -0.362 41.673 42.059 -0.039 0.000 0.966 1037 L HN 0.446 nan 8.230 nan 0.000 0.454 1038 M N -1.449 118.150 119.600 -0.002 0.000 2.849 1038 M HA 0.300 4.790 4.480 0.018 0.000 0.299 1038 M C -0.606 175.710 176.300 0.026 0.000 1.223 1038 M CA -0.848 54.459 55.300 0.013 0.000 0.856 1038 M CB 1.412 34.023 32.600 0.018 0.000 1.680 1038 M HN -0.188 nan 8.290 nan 0.000 0.506 1039 D N 1.089 121.505 120.400 0.026 0.000 2.339 1039 D HA 0.144 4.795 4.640 0.018 0.000 0.245 1039 D C -0.374 175.953 176.300 0.045 0.000 1.115 1039 D CA 0.101 54.119 54.000 0.030 0.000 0.917 1039 D CB 0.632 41.444 40.800 0.020 0.000 1.192 1039 D HN 0.440 nan 8.370 nan 0.000 0.428 1040 K N -0.239 120.189 120.400 0.046 0.000 3.311 1040 K HA -0.145 4.185 4.320 0.018 0.000 0.270 1040 K C -2.260 174.390 176.600 0.085 0.000 0.927 1040 K CA 0.120 56.438 56.287 0.052 0.000 0.706 1040 K CB -1.252 31.266 32.500 0.030 0.000 1.418 1040 K HN 0.372 nan 8.250 nan 0.000 0.459 1041 P HA 0.118 nan 4.420 nan 0.000 0.271 1041 P C -0.329 177.134 177.300 0.271 0.000 1.220 1041 P CA -0.023 63.243 63.100 0.277 0.000 0.768 1041 P CB 1.251 33.147 31.700 0.327 0.000 0.848 1042 V N 3.263 123.245 119.914 0.114 0.000 2.841 1042 V HA 0.318 4.449 4.120 0.018 0.000 0.310 1042 V C 0.292 175.827 176.094 -0.932 0.000 1.090 1042 V CA -1.076 61.021 62.300 -0.339 0.000 0.930 1042 V CB 2.476 34.178 31.823 -0.201 0.000 1.014 1042 V HN 0.448 nan 8.190 nan 0.000 0.425 1043 K N 2.245 121.706 120.400 -1.564 0.000 2.382 1043 K HA 0.383 4.714 4.320 0.018 0.000 0.275 1043 K C 0.070 176.250 176.600 -0.699 0.000 1.009 1043 K CA 0.208 55.497 56.287 -1.663 0.000 0.970 1043 K CB 0.917 32.753 32.500 -1.107 0.000 0.934 1043 K HN 0.659 nan 8.250 nan 0.000 0.479 1044 L N 1.234 122.175 121.223 -0.469 0.000 2.541 1044 L HA 0.330 4.681 4.340 0.018 0.000 0.187 1044 L C 0.474 177.271 176.870 -0.121 0.000 1.098 1044 L CA 0.086 54.805 54.840 -0.202 0.000 0.846 1044 L CB 0.181 42.188 42.059 -0.087 0.000 1.151 1044 L HN 0.679 nan 8.230 nan 0.000 0.492 1045 A N -0.798 121.979 122.820 -0.072 0.000 2.608 1045 A HA 0.602 4.933 4.320 0.018 0.000 0.292 1045 A C -1.295 176.251 177.584 -0.062 0.000 1.066 1045 A CA -0.244 51.761 52.037 -0.053 0.000 0.676 1045 A CB 1.711 20.757 19.000 0.077 0.000 1.277 1045 A HN -0.077 nan 8.150 nan 0.000 0.413 1046 S N 0.840 116.381 115.700 -0.265 0.000 2.779 1046 S HA 0.673 5.154 4.470 0.018 0.000 0.293 1046 S C -1.561 172.754 174.600 -0.474 0.000 1.150 1046 S CA -0.486 57.592 58.200 -0.205 0.000 1.057 1046 S CB 0.313 63.450 63.200 -0.103 0.000 1.021 1046 S HN 0.710 nan 8.310 nan 0.000 0.485 1047 H N 4.080 123.224 119.070 0.124 0.000 2.759 1047 H HA 0.539 5.105 4.556 0.018 0.000 0.354 1047 H C 0.461 175.874 175.328 0.142 0.000 1.074 1047 H CA -0.644 55.476 56.048 0.121 0.000 1.226 1047 H CB 1.369 31.208 29.762 0.128 0.000 1.648 1047 H HN 0.654 nan 8.280 nan 0.000 0.529 1048 R N 0.888 121.483 120.500 0.159 0.000 3.835 1048 R HA -0.222 4.129 4.340 0.018 0.000 0.455 1048 R C 1.042 177.258 176.300 -0.139 0.000 0.241 1048 R CA 1.576 57.678 56.100 0.005 0.000 1.439 1048 R CB -1.019 29.288 30.300 0.011 0.000 0.987 1048 R HN 0.857 nan 8.270 nan 0.000 0.570 1049 E N 2.043 121.983 120.200 -0.435 0.000 2.445 1049 E HA 0.060 4.421 4.350 0.018 0.000 0.189 1049 E C -0.082 176.265 176.600 -0.422 0.000 1.069 1049 E CA 0.406 56.540 56.400 -0.443 0.000 0.871 1049 E CB -0.108 29.295 29.700 -0.495 0.000 0.991 1049 E HN 0.329 nan 8.360 nan 0.000 0.481 1050 F N 1.633 121.623 119.950 0.068 0.000 2.291 1050 F HA 0.309 4.846 4.527 0.016 0.000 0.368 1050 F C 0.182 176.034 175.800 0.086 0.000 1.085 1050 F CA -0.633 57.417 58.000 0.084 0.000 1.165 1050 F CB 1.346 40.413 39.000 0.112 0.000 1.429 1050 F HN -0.328 nan 8.300 nan 0.000 0.503 1051 T N 1.973 116.657 114.554 0.216 0.000 2.771 1051 T HA 0.547 4.908 4.350 0.018 0.000 0.281 1051 T C -0.195 174.650 174.700 0.242 0.000 0.982 1051 T CA -0.723 61.492 62.100 0.192 0.000 0.978 1051 T CB 1.069 70.032 68.868 0.158 0.000 0.930 1051 T HN 0.495 nan 8.240 nan 0.000 0.447 1052 S N 2.197 118.045 115.700 0.248 0.000 2.521 1052 S HA 0.762 5.243 4.470 0.018 0.000 0.295 1052 S C -1.581 173.199 174.600 0.300 0.000 1.098 1052 S CA -1.006 57.344 58.200 0.250 0.000 0.999 1052 S CB 1.197 64.494 63.200 0.162 0.000 1.034 1052 S HN 0.649 nan 8.310 nan 0.000 0.483 1053 W N 1.185 122.499 121.300 0.024 0.000 2.781 1053 W HA 0.645 5.315 4.660 0.017 0.000 0.345 1053 W C 0.304 176.827 176.519 0.007 0.000 1.085 1053 W CA -0.828 56.524 57.345 0.012 0.000 1.198 1053 W CB 1.757 31.221 29.460 0.006 0.000 1.423 1053 W HN 0.612 nan 8.180 nan 0.000 0.532 1054 R N 1.400 122.001 120.500 0.168 0.000 2.664 1054 R HA 0.888 5.238 4.340 0.018 0.000 0.286 1054 R C -0.559 175.827 176.300 0.143 0.000 0.967 1054 R CA -0.340 55.825 56.100 0.108 0.000 0.933 1054 R CB 1.773 32.089 30.300 0.026 0.000 1.146 1054 R HN 0.672 nan 8.270 nan 0.000 0.468 1055 A N 1.833 124.714 122.820 0.102 0.000 2.583 1055 A HA 0.523 4.854 4.320 0.018 0.000 0.299 1055 A C -1.578 176.034 177.584 0.047 0.000 1.258 1055 A CA -0.595 51.496 52.037 0.090 0.000 0.682 1055 A CB 1.715 20.776 19.000 0.101 0.000 1.332 1055 A HN 0.675 nan 8.150 nan 0.000 0.485 1056 E N -0.678 119.545 120.200 0.038 0.000 2.308 1056 E HA 0.567 4.928 4.350 0.018 0.000 0.275 1056 E C -2.421 174.188 176.600 0.014 0.000 0.890 1056 E CA -0.558 55.854 56.400 0.020 0.000 0.754 1056 E CB 1.910 31.620 29.700 0.018 0.000 1.207 1056 E HN 0.464 nan 8.360 nan 0.000 0.426 1057 L N 4.397 125.624 121.223 0.006 0.000 2.446 1057 L HA 0.358 4.709 4.340 0.018 0.000 0.268 1057 L C -1.193 175.677 176.870 -0.001 0.000 0.975 1057 L CA -0.060 54.781 54.840 0.002 0.000 0.848 1057 L CB 1.343 43.401 42.059 -0.002 0.000 1.225 1057 L HN 0.704 nan 8.230 nan 0.000 0.410 1058 D N 4.380 124.780 120.400 -0.000 0.000 2.689 1058 D HA -0.193 4.458 4.640 0.018 0.000 0.237 1058 D C 1.131 177.430 176.300 -0.001 0.000 1.148 1058 D CA 1.517 55.516 54.000 -0.001 0.000 0.656 1058 D CB -0.894 39.904 40.800 -0.004 0.000 1.050 1058 D HN 1.173 nan 8.370 nan 0.000 0.426 1059 G N -0.501 108.299 108.800 0.000 0.000 2.155 1059 G HA2 -0.366 3.604 3.960 0.018 0.000 0.257 1059 G HA3 -0.366 3.604 3.960 0.018 0.000 0.257 1059 G C 0.205 175.104 174.900 -0.001 0.000 0.983 1059 G CA 0.829 45.929 45.100 0.000 0.000 0.676 1059 G HN 0.496 nan 8.290 nan 0.000 0.528 1060 K N 0.125 120.524 120.400 -0.002 0.000 2.345 1060 K HA 0.710 5.041 4.320 0.018 0.000 0.255 1060 K C 0.374 176.972 176.600 -0.004 0.000 0.934 1060 K CA -0.175 56.108 56.287 -0.006 0.000 0.801 1060 K CB 1.983 34.477 32.500 -0.010 0.000 1.137 1060 K HN 0.508 nan 8.250 nan 0.000 0.424 1061 A N 2.513 125.329 122.820 -0.006 0.000 2.492 1061 A HA 0.324 4.655 4.320 0.018 0.000 0.254 1061 A C -0.264 177.315 177.584 -0.009 0.000 1.091 1061 A CA -0.140 51.895 52.037 -0.003 0.000 0.768 1061 A CB 0.114 19.111 19.000 -0.006 0.000 1.028 1061 A HN 0.419 nan 8.150 nan 0.000 0.498 1062 V N 4.299 124.215 119.914 0.002 0.000 2.769 1062 V HA 0.411 4.541 4.120 0.018 0.000 0.312 1062 V C -0.324 175.780 176.094 0.016 0.000 1.061 1062 V CA -0.712 61.586 62.300 -0.004 0.000 0.931 1062 V CB 1.863 33.687 31.823 0.001 0.000 1.010 1062 V HN 0.742 nan 8.190 nan 0.000 0.433 1063 I N 3.733 124.304 120.570 0.003 0.000 2.412 1063 I HA 0.505 4.686 4.170 0.018 0.000 0.296 1063 I C -0.317 175.832 176.117 0.053 0.000 0.987 1063 I CA -0.510 60.811 61.300 0.035 0.000 1.180 1063 I CB 1.927 39.933 38.000 0.010 0.000 1.340 1063 I HN 0.269 nan 8.210 nan 0.000 0.455 1064 V N 5.303 125.280 119.914 0.106 0.000 2.448 1064 V HA 0.482 4.613 4.120 0.018 0.000 0.295 1064 V C -0.371 175.808 176.094 0.142 0.000 1.025 1064 V CA -0.501 61.859 62.300 0.101 0.000 0.859 1064 V CB 2.062 33.931 31.823 0.076 0.000 0.988 1064 V HN 0.898 nan 8.190 nan 0.000 0.431 1065 C N 4.739 124.116 119.300 0.130 0.000 2.642 1065 C HA 0.687 5.158 4.460 0.018 0.000 0.344 1065 C C 0.467 175.555 174.990 0.164 0.000 1.110 1065 C CA -0.336 58.781 59.018 0.165 0.000 1.298 1065 C CB 1.165 29.005 27.740 0.165 0.000 1.827 1065 C HN 1.086 nan 8.230 nan 0.000 0.467 1066 S N 3.153 118.957 115.700 0.173 0.000 2.592 1066 S HA 0.418 4.899 4.470 0.018 0.000 0.271 1066 S C 0.902 175.639 174.600 0.228 0.000 1.326 1066 S CA 0.446 58.732 58.200 0.143 0.000 1.024 1066 S CB 1.362 64.609 63.200 0.080 0.000 0.921 1066 S HN 1.108 nan 8.310 nan 0.000 0.527 1067 T N -1.788 112.859 114.554 0.155 0.000 2.990 1067 T HA 0.529 4.889 4.350 0.018 0.000 0.250 1067 T C 1.162 175.902 174.700 0.067 0.000 1.041 1067 T CA 0.417 62.638 62.100 0.202 0.000 1.010 1067 T CB -0.869 68.074 68.868 0.125 0.000 1.003 1067 T HN 2.004 nan 8.240 nan 0.000 0.499 1068 G N 1.530 110.304 108.800 -0.045 0.000 2.828 1068 G HA2 -0.118 3.853 3.960 0.018 0.000 0.463 1068 G HA3 -0.118 3.853 3.960 0.018 0.000 0.463 1068 G C -0.596 174.273 174.900 -0.051 0.000 1.394 1068 G CA -0.513 44.519 45.100 -0.113 0.000 0.862 1068 G HN 0.647 nan 8.290 nan 0.000 0.540 1069 I N 2.293 122.827 120.570 -0.061 0.000 2.396 1069 I HA 0.503 4.684 4.170 0.018 0.000 0.289 1069 I C 1.158 177.262 176.117 -0.021 0.000 1.056 1069 I CA 1.252 62.529 61.300 -0.037 0.000 1.365 1069 I CB 0.441 38.411 38.000 -0.049 0.000 1.407 1069 I HN 1.973 nan 8.210 nan 0.000 0.509 1070 G N 4.049 112.845 108.800 -0.006 0.000 2.662 1070 G HA2 -0.093 3.878 3.960 0.018 0.000 0.686 1070 G HA3 -0.093 3.878 3.960 0.018 0.000 0.686 1070 G C 0.527 175.430 174.900 0.004 0.000 1.271 1070 G CA -0.457 44.642 45.100 -0.001 0.000 0.816 1070 G HN 0.883 nan 8.290 nan 0.000 0.608 1071 G N 0.150 108.950 108.800 0.000 0.000 2.418 1071 G HA2 0.110 4.081 3.960 0.018 0.000 0.217 1071 G HA3 0.110 4.081 3.960 0.018 0.000 0.217 1071 G C 0.136 175.042 174.900 0.009 0.000 1.158 1071 G CA 2.095 47.194 45.100 -0.002 0.000 0.771 1071 G HN 0.685 nan 8.290 nan 0.000 0.545 1072 P HA -0.143 nan 4.420 nan 0.000 0.213 1072 P C 2.507 179.840 177.300 0.056 0.000 1.170 1072 P CA 2.511 65.619 63.100 0.012 0.000 0.902 1072 P CB -0.268 31.433 31.700 0.002 0.000 0.789 1073 S N -1.896 113.851 115.700 0.079 0.000 2.383 1073 S HA -0.131 4.349 4.470 0.018 0.000 0.227 1073 S C 1.953 176.705 174.600 0.253 0.000 1.026 1073 S CA 1.871 60.194 58.200 0.205 0.000 0.981 1073 S CB -2.036 61.215 63.200 0.085 0.000 0.818 1073 S HN 0.098 nan 8.310 nan 0.000 0.472 1074 T N 3.137 117.768 114.554 0.128 0.000 2.699 1074 T HA -0.149 4.212 4.350 0.018 0.000 0.268 1074 T C 2.326 177.031 174.700 0.008 0.000 1.036 1074 T CA 1.998 64.143 62.100 0.075 0.000 1.147 1074 T CB -0.830 68.046 68.868 0.013 0.000 0.862 1074 T HN 0.801 nan 8.240 nan 0.000 0.446 1075 S N 1.169 116.875 115.700 0.011 0.000 2.402 1075 S HA -0.007 4.474 4.470 0.018 0.000 0.229 1075 S C 2.078 176.683 174.600 0.009 0.000 1.021 1075 S CA 0.683 58.887 58.200 0.007 0.000 0.974 1075 S CB -0.728 62.565 63.200 0.156 0.000 0.800 1075 S HN 0.517 nan 8.310 nan 0.000 0.484 1076 I N 2.044 122.608 120.570 -0.009 0.000 2.202 1076 I HA -0.091 4.089 4.170 0.018 0.000 0.242 1076 I C 3.111 179.100 176.117 -0.212 0.000 1.091 1076 I CA 1.083 62.312 61.300 -0.118 0.000 1.368 1076 I CB -0.706 37.141 38.000 -0.256 0.000 1.058 1076 I HN 0.431 nan 8.210 nan 0.000 0.410 1077 A N 0.542 123.230 122.820 -0.221 0.000 1.877 1077 A HA -0.148 4.183 4.320 0.018 0.000 0.216 1077 A C 2.424 179.980 177.584 -0.047 0.000 1.186 1077 A CA 1.768 53.685 52.037 -0.200 0.000 0.620 1077 A CB -0.969 18.046 19.000 0.025 0.000 0.822 1077 A HN 0.226 nan 8.150 nan 0.000 0.443 1078 V N 0.249 120.109 119.914 -0.089 0.000 2.295 1078 V HA -0.252 3.878 4.120 0.018 0.000 0.246 1078 V C 2.638 178.669 176.094 -0.105 0.000 1.049 1078 V CA 2.481 64.645 62.300 -0.227 0.000 1.024 1078 V CB -0.813 30.665 31.823 -0.575 0.000 0.648 1078 V HN 0.777 nan 8.190 nan 0.000 0.447 1079 E N 0.986 121.138 120.200 -0.080 0.000 2.058 1079 E HA -0.267 4.094 4.350 0.018 0.000 0.194 1079 E C 2.059 178.688 176.600 0.048 0.000 0.997 1079 E CA 2.186 58.590 56.400 0.006 0.000 0.801 1079 E CB -0.345 29.389 29.700 0.056 0.000 0.746 1079 E HN 0.686 nan 8.360 nan 0.000 0.450 1080 E N -0.151 120.066 120.200 0.028 0.000 2.107 1080 E HA -0.103 4.258 4.350 0.018 0.000 0.191 1080 E C 2.310 178.949 176.600 0.065 0.000 0.982 1080 E CA 0.983 57.407 56.400 0.040 0.000 0.809 1080 E CB -0.144 29.561 29.700 0.009 0.000 0.756 1080 E HN 0.305 nan 8.360 nan 0.000 0.459 1081 L N 0.703 121.988 121.223 0.103 0.000 2.046 1081 L HA -0.192 4.158 4.340 0.018 0.000 0.208 1081 L C 2.595 179.569 176.870 0.173 0.000 1.077 1081 L CA 1.026 55.957 54.840 0.151 0.000 0.747 1081 L CB -0.461 41.756 42.059 0.264 0.000 0.896 1081 L HN 0.146 nan 8.230 nan 0.000 0.432 1082 A N -0.532 122.441 122.820 0.256 0.000 1.902 1082 A HA -0.259 4.072 4.320 0.018 0.000 0.217 1082 A C 2.212 179.863 177.584 0.111 0.000 1.181 1082 A CA 1.555 53.723 52.037 0.219 0.000 0.623 1082 A CB -0.496 18.623 19.000 0.200 0.000 0.818 1082 A HN 0.481 nan 8.150 nan 0.000 0.443 1083 Q N -1.015 118.838 119.800 0.088 0.000 2.181 1083 Q HA -0.125 4.226 4.340 0.018 0.000 0.205 1083 Q C 1.325 177.354 176.000 0.048 0.000 0.980 1083 Q CA 0.933 56.773 55.803 0.061 0.000 0.862 1083 Q CB -0.206 28.565 28.738 0.055 0.000 0.905 1083 Q HN 0.459 nan 8.270 nan 0.000 0.429 1084 L N -1.425 119.827 121.223 0.049 0.000 2.554 1084 L HA 0.107 4.458 4.340 0.018 0.000 0.226 1084 L C 1.430 178.311 176.870 0.019 0.000 1.137 1084 L CA 1.532 56.390 54.840 0.030 0.000 0.863 1084 L CB -0.269 41.806 42.059 0.027 0.000 0.985 1084 L HN 0.413 nan 8.230 nan 0.000 0.451 1085 G N -1.240 107.575 108.800 0.025 0.000 2.229 1085 G HA2 -0.186 3.785 3.960 0.018 0.000 0.189 1085 G HA3 -0.186 3.785 3.960 0.018 0.000 0.189 1085 G C 0.432 175.320 174.900 -0.019 0.000 1.000 1085 G CA -0.460 44.644 45.100 0.008 0.000 0.663 1085 G HN 0.094 nan 8.290 nan 0.000 0.493 1086 I N 1.274 121.818 120.570 -0.044 0.000 2.683 1086 I HA 0.231 4.411 4.170 0.018 0.000 0.286 1086 I C 1.340 177.370 176.117 -0.146 0.000 1.175 1086 I CA 0.476 61.663 61.300 -0.188 0.000 1.429 1086 I CB 0.863 38.636 38.000 -0.378 0.000 1.371 1086 I HN 0.110 nan 8.210 nan 0.000 0.569 1087 R N 3.036 123.425 120.500 -0.185 0.000 2.469 1087 R HA 0.194 4.545 4.340 0.018 0.000 0.250 1087 R C -0.185 176.091 176.300 -0.040 0.000 0.909 1087 R CA 0.226 56.306 56.100 -0.033 0.000 1.050 1087 R CB 0.533 30.830 30.300 -0.004 0.000 1.256 1087 R HN 0.537 nan 8.270 nan 0.000 0.550 1088 T N 1.308 115.705 114.554 -0.260 0.000 2.879 1088 T HA 0.577 4.938 4.350 0.018 0.000 0.290 1088 T C -1.033 173.445 174.700 -0.370 0.000 0.993 1088 T CA -0.308 61.701 62.100 -0.152 0.000 0.975 1088 T CB 1.243 70.056 68.868 -0.092 0.000 0.981 1088 T HN -0.177 nan 8.240 nan 0.000 0.439 1089 F N 2.622 122.569 119.950 -0.004 0.000 2.493 1089 F HA 0.591 5.131 4.527 0.021 0.000 0.329 1089 F C -0.227 175.570 175.800 -0.005 0.000 1.126 1089 F CA -1.146 56.852 58.000 -0.005 0.000 0.937 1089 F CB 1.398 40.391 39.000 -0.012 0.000 1.146 1089 F HN 0.226 nan 8.300 nan 0.000 0.442 1090 L N 4.131 125.435 121.223 0.135 0.000 2.345 1090 L HA 0.503 4.853 4.340 0.018 0.000 0.274 1090 L C -0.075 176.843 176.870 0.080 0.000 0.999 1090 L CA -0.693 54.196 54.840 0.082 0.000 0.849 1090 L CB 1.699 43.778 42.059 0.033 0.000 1.220 1090 L HN 0.595 nan 8.230 nan 0.000 0.422 1091 R N 3.052 123.595 120.500 0.073 0.000 2.340 1091 R HA 0.492 4.842 4.340 0.018 0.000 0.300 1091 R C -0.879 175.442 176.300 0.034 0.000 1.069 1091 R CA -0.409 55.723 56.100 0.054 0.000 0.984 1091 R CB 1.068 31.393 30.300 0.042 0.000 1.003 1091 R HN 0.540 nan 8.270 nan 0.000 0.459 1092 I N 3.360 123.947 120.570 0.028 0.000 2.474 1092 I HA 0.698 4.879 4.170 0.018 0.000 0.294 1092 I C -0.657 175.468 176.117 0.015 0.000 1.005 1092 I CA -0.089 61.221 61.300 0.018 0.000 1.113 1092 I CB 2.042 40.047 38.000 0.010 0.000 1.289 1092 I HN 0.760 nan 8.210 nan 0.000 0.436 1093 G N 3.683 112.491 108.800 0.014 0.000 2.649 1093 G HA2 0.601 4.571 3.960 0.018 0.000 0.290 1093 G HA3 0.601 4.571 3.960 0.018 0.000 0.290 1093 G C -1.210 173.699 174.900 0.015 0.000 1.426 1093 G CA -0.202 44.906 45.100 0.013 0.000 0.794 1093 G HN 0.712 nan 8.290 nan 0.000 0.483 1094 T N -2.481 112.084 114.554 0.017 0.000 2.945 1094 T HA 0.799 5.160 4.350 0.018 0.000 0.286 1094 T C -0.236 174.483 174.700 0.031 0.000 1.025 1094 T CA -0.520 61.593 62.100 0.022 0.000 1.039 1094 T CB 2.153 71.033 68.868 0.020 0.000 1.068 1094 T HN 0.969 nan 8.240 nan 0.000 0.497 1095 T N -0.337 114.236 114.554 0.033 0.000 2.802 1095 T HA 0.638 4.998 4.350 0.018 0.000 0.311 1095 T C -0.811 173.909 174.700 0.033 0.000 1.405 1095 T CA -0.392 61.730 62.100 0.036 0.000 1.016 1095 T CB 1.315 70.197 68.868 0.023 0.000 1.352 1095 T HN 1.184 nan 8.240 nan 0.000 0.498 1096 G N 1.325 110.147 108.800 0.036 0.000 2.422 1096 G HA2 0.661 4.631 3.960 0.018 0.000 0.317 1096 G HA3 0.661 4.631 3.960 0.018 0.000 0.317 1096 G C -0.078 174.828 174.900 0.010 0.000 1.210 1096 G CA -0.158 44.959 45.100 0.028 0.000 0.930 1096 G HN 0.955 nan 8.290 nan 0.000 0.468 1097 A N 2.295 125.102 122.820 -0.022 0.000 2.407 1097 A HA 0.533 4.863 4.320 0.018 0.000 0.248 1097 A C 1.113 178.656 177.584 -0.068 0.000 1.082 1097 A CA -0.337 51.656 52.037 -0.074 0.000 0.785 1097 A CB 0.251 19.187 19.000 -0.108 0.000 1.020 1097 A HN 1.338 nan 8.150 nan 0.000 0.489 1098 I N -2.047 118.455 120.570 -0.114 0.000 4.240 1098 I HA 0.239 4.420 4.170 0.018 0.000 0.331 1098 I C -0.304 175.754 176.117 -0.098 0.000 1.381 1098 I CA -0.236 61.014 61.300 -0.082 0.000 1.136 1098 I CB 0.184 38.112 38.000 -0.120 0.000 1.137 1098 I HN 0.370 nan 8.210 nan 0.000 0.411 1099 Q N 2.144 121.834 119.800 -0.183 0.000 2.230 1099 Q HA 0.397 4.747 4.340 0.018 0.000 0.253 1099 Q C -1.933 173.924 176.000 -0.237 0.000 0.919 1099 Q CA -1.905 53.752 55.803 -0.244 0.000 0.908 1099 Q CB 1.793 30.206 28.738 -0.542 0.000 1.245 1099 Q HN 0.040 nan 8.270 nan 0.000 0.437 1100 P HA -0.091 nan 4.420 nan 0.000 0.222 1100 P C 0.438 177.719 177.300 -0.030 0.000 1.153 1100 P CA 1.290 64.371 63.100 -0.031 0.000 0.798 1100 P CB 0.113 31.840 31.700 0.045 0.000 0.796 1101 H N -2.558 116.478 119.070 -0.056 0.000 2.526 1101 H HA 0.324 4.891 4.556 0.017 0.000 0.274 1101 H C 0.342 175.606 175.328 -0.106 0.000 0.999 1101 H CA -0.291 55.727 56.048 -0.051 0.000 1.157 1101 H CB -0.783 28.957 29.762 -0.037 0.000 1.407 1101 H HN 0.047 nan 8.280 nan 0.000 0.568 1102 I N 2.686 122.980 120.570 -0.461 0.000 2.354 1102 I HA 0.206 4.387 4.170 0.018 0.000 0.286 1102 I C -0.621 175.413 176.117 -0.138 0.000 1.007 1102 I CA -0.790 60.265 61.300 -0.407 0.000 1.167 1102 I CB 0.870 38.518 38.000 -0.586 0.000 1.320 1102 I HN 0.297 nan 8.210 nan 0.000 0.458 1103 N N 5.390 124.086 118.700 -0.007 0.000 2.459 1103 N HA 0.364 5.115 4.740 0.018 0.000 0.288 1103 N C -0.353 175.174 175.510 0.029 0.000 1.186 1103 N CA -0.635 52.424 53.050 0.014 0.000 0.917 1103 N CB 2.290 40.800 38.487 0.038 0.000 1.219 1103 N HN 0.334 nan 8.380 nan 0.000 0.525 1104 V N -1.775 118.152 119.914 0.022 0.000 2.694 1104 V HA 0.407 4.537 4.120 0.018 0.000 0.306 1104 V C 1.311 177.426 176.094 0.035 0.000 1.054 1104 V CA 0.775 63.091 62.300 0.027 0.000 1.161 1104 V CB -0.055 31.782 31.823 0.023 0.000 0.916 1104 V HN 1.037 nan 8.190 nan 0.000 0.490 1105 G N 2.785 111.608 108.800 0.039 0.000 2.254 1105 G HA2 -0.202 3.768 3.960 0.018 0.000 0.225 1105 G HA3 -0.202 3.768 3.960 0.018 0.000 0.225 1105 G C -0.039 174.881 174.900 0.034 0.000 1.003 1105 G CA 0.179 45.303 45.100 0.039 0.000 0.622 1105 G HN 0.912 nan 8.290 nan 0.000 0.507 1106 D N 0.238 120.669 120.400 0.052 0.000 2.368 1106 D HA 0.495 5.146 4.640 0.018 0.000 0.240 1106 D C 0.358 176.695 176.300 0.061 0.000 1.169 1106 D CA 0.161 54.203 54.000 0.070 0.000 0.906 1106 D CB 1.787 42.702 40.800 0.192 0.000 1.187 1106 D HN 0.201 nan 8.370 nan 0.000 0.435 1107 V N 2.084 122.022 119.914 0.040 0.000 2.495 1107 V HA 0.326 4.457 4.120 0.018 0.000 0.298 1107 V C -0.058 176.070 176.094 0.057 0.000 1.031 1107 V CA -0.734 61.587 62.300 0.035 0.000 0.871 1107 V CB 1.499 33.325 31.823 0.004 0.000 0.988 1107 V HN 0.269 nan 8.190 nan 0.000 0.432 1108 L N 5.439 126.699 121.223 0.060 0.000 2.307 1108 L HA 0.659 5.010 4.340 0.018 0.000 0.284 1108 L C -0.656 176.236 176.870 0.037 0.000 1.023 1108 L CA -0.807 54.073 54.840 0.068 0.000 0.810 1108 L CB 1.814 43.902 42.059 0.050 0.000 1.231 1108 L HN 0.307 nan 8.230 nan 0.000 0.423 1109 V N 1.720 121.655 119.914 0.036 0.000 2.417 1109 V HA 0.302 4.433 4.120 0.018 0.000 0.291 1109 V C 0.214 176.321 176.094 0.022 0.000 1.024 1109 V CA -0.423 61.889 62.300 0.020 0.000 0.861 1109 V CB 1.782 33.610 31.823 0.008 0.000 0.985 1109 V HN 0.739 nan 8.190 nan 0.000 0.436 1110 T N 3.260 117.822 114.554 0.014 0.000 2.727 1110 T HA 0.182 4.543 4.350 0.018 0.000 0.298 1110 T C 1.344 176.053 174.700 0.016 0.000 0.942 1110 T CA 0.193 62.299 62.100 0.009 0.000 0.997 1110 T CB 1.062 69.930 68.868 -0.001 0.000 0.917 1110 T HN 0.977 nan 8.240 nan 0.000 0.487 1111 T N 0.853 115.420 114.554 0.021 0.000 2.942 1111 T HA 0.418 4.778 4.350 0.018 0.000 0.265 1111 T C 0.750 175.464 174.700 0.022 0.000 1.062 1111 T CA 0.364 62.484 62.100 0.034 0.000 1.139 1111 T CB 0.121 69.015 68.868 0.043 0.000 0.883 1111 T HN 0.751 nan 8.240 nan 0.000 0.468 1112 A N -0.173 122.649 122.820 0.004 0.000 2.586 1112 A HA 0.648 4.979 4.320 0.018 0.000 0.291 1112 A C -1.065 176.502 177.584 -0.028 0.000 1.062 1112 A CA -0.870 51.163 52.037 -0.006 0.000 0.666 1112 A CB 1.076 20.070 19.000 -0.009 0.000 1.281 1112 A HN 0.224 nan 8.150 nan 0.000 0.421 1113 S N -0.247 115.432 115.700 -0.034 0.000 2.536 1113 S HA 0.600 5.081 4.470 0.018 0.000 0.298 1113 S C -0.341 174.206 174.600 -0.088 0.000 1.083 1113 S CA -0.601 57.559 58.200 -0.067 0.000 0.995 1113 S CB 1.711 64.880 63.200 -0.052 0.000 1.058 1113 S HN 0.975 nan 8.310 nan 0.000 0.488 1114 V N 3.167 122.979 119.914 -0.169 0.000 2.485 1114 V HA 0.130 4.260 4.120 0.018 0.000 0.287 1114 V C 0.658 176.671 176.094 -0.134 0.000 1.022 1114 V CA 0.119 62.288 62.300 -0.219 0.000 1.067 1114 V CB -0.249 31.259 31.823 -0.525 0.000 0.967 1114 V HN 0.699 nan 8.190 nan 0.000 0.479 1115 R N 5.433 125.904 120.500 -0.049 0.000 2.891 1115 R HA 0.307 4.657 4.340 0.018 0.000 0.248 1115 R C -0.082 176.249 176.300 0.052 0.000 1.439 1115 R CA -0.113 55.995 56.100 0.014 0.000 1.288 1115 R CB -0.017 30.315 30.300 0.054 0.000 1.212 1115 R HN 0.662 nan 8.270 nan 0.000 0.605 1116 L N 2.625 123.880 121.223 0.053 0.000 3.001 1116 L HA 0.168 4.518 4.340 0.018 0.000 0.234 1116 L C 0.026 176.973 176.870 0.127 0.000 1.321 1116 L CA -0.293 54.641 54.840 0.157 0.000 1.138 1116 L CB -0.770 41.419 42.059 0.216 0.000 1.503 1116 L HN 0.498 nan 8.230 nan 0.000 0.487 1117 D N -1.631 118.825 120.400 0.093 0.000 2.566 1117 D HA 0.312 4.963 4.640 0.018 0.000 0.254 1117 D C 0.640 176.984 176.300 0.074 0.000 1.090 1117 D CA -0.459 53.581 54.000 0.067 0.000 1.034 1117 D CB 1.824 42.645 40.800 0.036 0.000 1.434 1117 D HN -0.058 nan 8.370 nan 0.000 0.509 1118 G N -1.005 107.820 108.800 0.043 0.000 2.709 1118 G HA2 0.250 4.221 3.960 0.018 0.000 0.208 1118 G HA3 0.250 4.221 3.960 0.018 0.000 0.208 1118 G C 1.220 176.094 174.900 -0.044 0.000 1.129 1118 G CA 0.582 45.706 45.100 0.040 0.000 0.793 1118 G HN 0.618 nan 8.290 nan 0.000 0.524 1119 A N 1.703 124.463 122.820 -0.100 0.000 1.969 1119 A HA 0.028 4.359 4.320 0.018 0.000 0.218 1119 A C 2.663 180.322 177.584 0.126 0.000 1.169 1119 A CA 2.204 54.144 52.037 -0.161 0.000 0.635 1119 A CB -0.612 18.358 19.000 -0.050 0.000 0.810 1119 A HN 0.647 nan 8.150 nan 0.000 0.445 1120 S N 0.344 116.132 115.700 0.146 0.000 2.400 1120 S HA -0.126 4.354 4.470 0.018 0.000 0.232 1120 S C 1.709 176.462 174.600 0.255 0.000 1.025 1120 S CA 1.512 59.839 58.200 0.212 0.000 0.993 1120 S CB -0.738 62.536 63.200 0.123 0.000 0.808 1120 S HN 0.454 nan 8.310 nan 0.000 0.478 1121 L N 0.431 121.786 121.223 0.219 0.000 2.376 1121 L HA 0.028 4.378 4.340 0.018 0.000 0.219 1121 L C 1.977 178.963 176.870 0.194 0.000 1.133 1121 L CA 0.905 55.866 54.840 0.202 0.000 0.816 1121 L CB -0.646 41.529 42.059 0.193 0.000 0.933 1121 L HN 0.325 nan 8.230 nan 0.000 0.449 1122 H N -1.754 117.270 119.070 -0.075 0.000 2.556 1122 H HA 0.046 4.610 4.556 0.013 0.000 0.268 1122 H C 1.052 176.017 175.328 -0.604 0.000 0.996 1122 H CA 0.608 56.458 56.048 -0.330 0.000 1.157 1122 H CB 0.013 29.519 29.762 -0.427 0.000 1.355 1122 H HN 0.252 nan 8.280 nan 0.000 0.597 1123 F N -1.248 118.726 119.950 0.040 0.000 2.699 1123 F HA 0.579 5.116 4.527 0.016 0.000 0.295 1123 F C 0.831 176.542 175.800 -0.149 0.000 1.052 1123 F CA 0.343 58.306 58.000 -0.061 0.000 1.239 1123 F CB 0.896 39.846 39.000 -0.083 0.000 1.018 1123 F HN 0.038 nan 8.300 nan 0.000 0.627 1124 A N 0.317 123.158 122.820 0.036 0.000 2.594 1124 A HA 0.607 4.937 4.320 0.018 0.000 0.296 1124 A C -2.825 174.782 177.584 0.038 0.000 1.061 1124 A CA -1.320 50.669 52.037 -0.081 0.000 0.689 1124 A CB 0.569 19.332 19.000 -0.394 0.000 1.280 1124 A HN -0.181 nan 8.150 nan 0.000 0.406 1125 P HA 0.106 nan 4.420 nan 0.000 0.271 1125 P C 0.803 178.184 177.300 0.135 0.000 1.233 1125 P CA -0.190 62.962 63.100 0.087 0.000 0.789 1125 P CB 0.432 32.180 31.700 0.080 0.000 0.951 1126 M N 1.295 120.962 119.600 0.111 0.000 2.267 1126 M HA -0.170 4.321 4.480 0.018 0.000 0.263 1126 M C 1.739 178.113 176.300 0.123 0.000 1.063 1126 M CA 1.627 56.996 55.300 0.115 0.000 1.090 1126 M CB -1.155 31.498 32.600 0.088 0.000 1.392 1126 M HN 0.373 nan 8.290 nan 0.000 0.422 1127 E N -1.105 119.169 120.200 0.122 0.000 2.268 1127 E HA -0.167 4.194 4.350 0.018 0.000 0.195 1127 E C 0.343 177.013 176.600 0.117 0.000 0.995 1127 E CA 0.292 56.752 56.400 0.100 0.000 0.836 1127 E CB -0.923 28.825 29.700 0.081 0.000 0.763 1127 E HN 0.477 nan 8.360 nan 0.000 0.491 1128 F N 4.435 124.405 119.950 0.033 0.000 2.495 1128 F HA 0.189 4.723 4.527 0.012 0.000 0.365 1128 F C -1.958 173.859 175.800 0.027 0.000 1.090 1128 F CA -2.592 55.427 58.000 0.032 0.000 1.235 1128 F CB 0.664 39.689 39.000 0.042 0.000 1.119 1128 F HN -0.162 nan 8.300 nan 0.000 0.562 1129 P HA 0.109 nan 4.420 nan 0.000 0.276 1129 P C -1.190 176.136 177.300 0.042 0.000 1.235 1129 P CA -0.296 62.721 63.100 -0.138 0.000 0.772 1129 P CB 1.088 32.629 31.700 -0.264 0.000 0.871 1130 A N 4.248 127.118 122.820 0.083 0.000 3.037 1130 A HA 0.264 4.595 4.320 0.018 0.000 0.272 1130 A C 0.274 177.886 177.584 0.046 0.000 1.723 1130 A CA -0.323 51.772 52.037 0.096 0.000 1.413 1130 A CB -0.881 18.153 19.000 0.058 0.000 1.112 1130 A HN 0.479 nan 8.150 nan 0.000 0.606 1131 V N 1.866 121.810 119.914 0.050 0.000 2.532 1131 V HA 0.734 4.864 4.120 0.018 0.000 0.295 1131 V C 0.588 176.710 176.094 0.048 0.000 1.041 1131 V CA -0.257 62.058 62.300 0.025 0.000 0.926 1131 V CB 1.454 33.270 31.823 -0.012 0.000 0.992 1131 V HN 0.932 nan 8.190 nan 0.000 0.457 1132 A N 4.203 127.050 122.820 0.045 0.000 2.351 1132 A HA 0.403 4.733 4.320 0.018 0.000 0.257 1132 A C 0.049 177.682 177.584 0.080 0.000 1.087 1132 A CA -0.119 51.951 52.037 0.055 0.000 0.798 1132 A CB 0.162 19.188 19.000 0.044 0.000 1.033 1132 A HN 1.056 nan 8.150 nan 0.000 0.488 1133 D N 0.161 120.610 120.400 0.082 0.000 2.382 1133 D HA 0.134 4.785 4.640 0.018 0.000 0.245 1133 D C 0.617 176.993 176.300 0.126 0.000 1.120 1133 D CA -0.112 53.952 54.000 0.106 0.000 0.890 1133 D CB 0.196 41.049 40.800 0.088 0.000 1.201 1133 D HN 0.371 nan 8.370 nan 0.000 0.433 1134 F N 3.897 123.858 119.950 0.017 0.000 2.186 1134 F HA -0.030 4.508 4.527 0.017 0.000 0.299 1134 F C 1.995 177.803 175.800 0.012 0.000 1.090 1134 F CA 1.538 59.545 58.000 0.012 0.000 1.307 1134 F CB -0.451 38.553 39.000 0.008 0.000 1.019 1134 F HN 0.496 nan 8.300 nan 0.000 0.489 1135 A N -0.431 122.344 122.820 -0.075 0.000 1.877 1135 A HA -0.214 4.117 4.320 0.018 0.000 0.216 1135 A C 2.394 179.873 177.584 -0.175 0.000 1.186 1135 A CA 1.833 53.770 52.037 -0.167 0.000 0.620 1135 A CB -1.654 17.330 19.000 -0.027 0.000 0.822 1135 A HN 0.546 nan 8.150 nan 0.000 0.443 1136 C N -1.059 118.189 119.300 -0.086 0.000 2.413 1136 C HA -0.091 4.380 4.460 0.018 0.000 0.276 1136 C C 3.049 177.983 174.990 -0.094 0.000 1.236 1136 C CA 1.549 60.530 59.018 -0.062 0.000 1.735 1136 C CB -1.597 26.140 27.740 -0.005 0.000 2.031 1136 C HN 0.651 nan 8.230 nan 0.000 0.474 1137 T N 0.650 115.135 114.554 -0.114 0.000 2.708 1137 T HA -0.167 4.194 4.350 0.018 0.000 0.266 1137 T C 1.807 176.396 174.700 -0.184 0.000 1.037 1137 T CA 2.179 64.213 62.100 -0.110 0.000 1.146 1137 T CB -0.613 68.222 68.868 -0.055 0.000 0.865 1137 T HN 0.599 nan 8.240 nan 0.000 0.435 1138 T N 2.144 116.476 114.554 -0.371 0.000 2.665 1138 T HA -0.148 4.212 4.350 0.018 0.000 0.268 1138 T C 2.362 176.944 174.700 -0.197 0.000 1.035 1138 T CA 1.409 63.287 62.100 -0.370 0.000 1.151 1138 T CB -0.633 67.879 68.868 -0.593 0.000 0.862 1138 T HN 0.460 nan 8.240 nan 0.000 0.438 1139 A N 0.848 123.569 122.820 -0.165 0.000 1.902 1139 A HA 0.033 4.364 4.320 0.018 0.000 0.217 1139 A C 2.327 179.869 177.584 -0.071 0.000 1.181 1139 A CA 1.197 53.175 52.037 -0.099 0.000 0.623 1139 A CB -0.764 18.189 19.000 -0.078 0.000 0.818 1139 A HN 0.482 nan 8.150 nan 0.000 0.443 1140 L N -0.782 120.401 121.223 -0.067 0.000 2.056 1140 L HA -0.125 4.226 4.340 0.018 0.000 0.207 1140 L C 2.527 179.371 176.870 -0.043 0.000 1.078 1140 L CA 0.876 55.691 54.840 -0.043 0.000 0.749 1140 L CB -0.510 41.530 42.059 -0.031 0.000 0.901 1140 L HN 0.232 nan 8.230 nan 0.000 0.433 1141 V N -0.079 119.801 119.914 -0.056 0.000 2.295 1141 V HA -0.274 3.857 4.120 0.018 0.000 0.246 1141 V C 2.360 178.425 176.094 -0.048 0.000 1.049 1141 V CA 1.862 64.133 62.300 -0.049 0.000 1.024 1141 V CB -0.448 31.344 31.823 -0.051 0.000 0.648 1141 V HN 0.452 nan 8.190 nan 0.000 0.447 1142 E N 0.120 120.286 120.200 -0.056 0.000 2.106 1142 E HA -0.150 4.211 4.350 0.018 0.000 0.192 1142 E C 2.288 178.866 176.600 -0.038 0.000 0.984 1142 E CA 1.194 57.566 56.400 -0.047 0.000 0.806 1142 E CB -0.301 29.368 29.700 -0.052 0.000 0.750 1142 E HN 0.602 nan 8.360 nan 0.000 0.458 1143 A N 1.435 124.233 122.820 -0.036 0.000 1.930 1143 A HA -0.048 4.283 4.320 0.018 0.000 0.217 1143 A C 2.372 179.941 177.584 -0.024 0.000 1.175 1143 A CA 1.452 53.474 52.037 -0.026 0.000 0.627 1143 A CB -0.495 18.492 19.000 -0.021 0.000 0.815 1143 A HN 0.282 nan 8.150 nan 0.000 0.443 1144 A N 0.128 122.930 122.820 -0.030 0.000 1.902 1144 A HA -0.158 4.173 4.320 0.018 0.000 0.217 1144 A C 2.110 179.666 177.584 -0.047 0.000 1.181 1144 A CA 1.714 53.729 52.037 -0.036 0.000 0.623 1144 A CB -0.409 18.567 19.000 -0.039 0.000 0.818 1144 A HN 0.511 nan 8.150 nan 0.000 0.443 1145 K N -0.072 120.302 120.400 -0.044 0.000 2.097 1145 K HA -0.068 4.262 4.320 0.018 0.000 0.206 1145 K C 2.296 178.873 176.600 -0.038 0.000 1.049 1145 K CA 1.379 57.639 56.287 -0.044 0.000 0.933 1145 K CB -0.272 32.205 32.500 -0.038 0.000 0.717 1145 K HN 0.406 nan 8.250 nan 0.000 0.442 1146 S N 1.159 116.840 115.700 -0.031 0.000 2.383 1146 S HA -0.084 4.396 4.470 0.018 0.000 0.229 1146 S C 1.767 176.352 174.600 -0.025 0.000 1.030 1146 S CA 0.940 59.125 58.200 -0.024 0.000 1.002 1146 S CB -0.063 63.126 63.200 -0.018 0.000 0.829 1146 S HN 0.169 nan 8.310 nan 0.000 0.467 1147 I N 0.257 120.809 120.570 -0.031 0.000 3.419 1147 I HA 0.140 4.321 4.170 0.018 0.000 0.286 1147 I C 1.902 177.972 176.117 -0.078 0.000 1.268 1147 I CA 0.731 62.009 61.300 -0.035 0.000 1.414 1147 I CB -1.482 36.507 38.000 -0.017 0.000 1.074 1147 I HN 0.432 nan 8.210 nan 0.000 0.457 1148 G N 1.142 109.897 108.800 -0.076 0.000 2.141 1148 G HA2 -0.186 3.785 3.960 0.018 0.000 0.242 1148 G HA3 -0.186 3.785 3.960 0.018 0.000 0.242 1148 G C 0.599 175.428 174.900 -0.117 0.000 0.982 1148 G CA 0.173 45.220 45.100 -0.087 0.000 0.662 1148 G HN 0.670 nan 8.290 nan 0.000 0.527 1149 A N 0.150 122.894 122.820 -0.126 0.000 2.407 1149 A HA 0.633 4.964 4.320 0.018 0.000 0.248 1149 A C 0.865 178.379 177.584 -0.116 0.000 1.082 1149 A CA 1.034 52.989 52.037 -0.136 0.000 0.785 1149 A CB 0.317 19.249 19.000 -0.113 0.000 1.020 1149 A HN 0.824 nan 8.150 nan 0.000 0.489 1150 T N 3.111 117.595 114.554 -0.116 0.000 2.738 1150 T HA 0.379 4.739 4.350 0.018 0.000 0.293 1150 T C 0.138 174.704 174.700 -0.224 0.000 0.913 1150 T CA 0.578 62.588 62.100 -0.150 0.000 1.103 1150 T CB -0.193 68.612 68.868 -0.104 0.000 0.880 1150 T HN 0.632 nan 8.240 nan 0.000 0.526 1151 T N 4.613 118.992 114.554 -0.292 0.000 2.829 1151 T HA 0.387 4.747 4.350 0.018 0.000 0.280 1151 T C -0.553 173.907 174.700 -0.399 0.000 0.999 1151 T CA -0.767 61.181 62.100 -0.253 0.000 0.983 1151 T CB 0.854 69.649 68.868 -0.122 0.000 0.968 1151 T HN 0.509 nan 8.240 nan 0.000 0.446 1152 H N 1.330 120.406 119.070 0.011 0.000 2.547 1152 H HA 0.502 5.068 4.556 0.018 0.000 0.342 1152 H C -0.947 174.391 175.328 0.016 0.000 1.048 1152 H CA -0.472 55.590 56.048 0.025 0.000 1.204 1152 H CB 1.677 31.456 29.762 0.027 0.000 1.493 1152 H HN 0.275 nan 8.280 nan 0.000 0.511 1153 V N 2.667 122.657 119.914 0.128 0.000 2.384 1153 V HA 0.736 4.867 4.120 0.018 0.000 0.287 1153 V C 0.621 176.760 176.094 0.075 0.000 1.020 1153 V CA -0.262 62.084 62.300 0.076 0.000 0.850 1153 V CB 1.262 33.115 31.823 0.050 0.000 0.987 1153 V HN 1.070 nan 8.190 nan 0.000 0.436 1154 G N 3.163 111.995 108.800 0.053 0.000 2.356 1154 G HA2 0.402 4.373 3.960 0.018 0.000 0.281 1154 G HA3 0.402 4.373 3.960 0.018 0.000 0.281 1154 G C -1.356 173.550 174.900 0.009 0.000 1.246 1154 G CA -0.439 44.683 45.100 0.036 0.000 0.889 1154 G HN 0.489 nan 8.290 nan 0.000 0.486 1155 V N 0.636 120.546 119.914 -0.008 0.000 2.686 1155 V HA 0.661 4.792 4.120 0.018 0.000 0.295 1155 V C 0.301 176.349 176.094 -0.077 0.000 1.057 1155 V CA 0.035 62.312 62.300 -0.040 0.000 1.012 1155 V CB 1.369 33.166 31.823 -0.042 0.000 1.006 1155 V HN 0.804 nan 8.190 nan 0.000 0.477 1156 T N 2.976 117.468 114.554 -0.102 0.000 2.876 1156 T HA 0.648 5.008 4.350 0.018 0.000 0.289 1156 T C -0.227 174.351 174.700 -0.204 0.000 1.014 1156 T CA -0.310 61.708 62.100 -0.136 0.000 0.986 1156 T CB 1.693 70.513 68.868 -0.082 0.000 1.021 1156 T HN 0.929 nan 8.240 nan 0.000 0.458 1157 A N 2.093 124.737 122.820 -0.293 0.000 2.309 1157 A HA 0.638 4.968 4.320 0.018 0.000 0.290 1157 A C 0.339 177.851 177.584 -0.119 0.000 1.206 1157 A CA -0.413 51.410 52.037 -0.357 0.000 0.850 1157 A CB 0.365 18.980 19.000 -0.643 0.000 1.118 1157 A HN 0.625 nan 8.150 nan 0.000 0.523 1158 S N 1.994 117.636 115.700 -0.098 0.000 2.498 1158 S HA 0.526 5.007 4.470 0.018 0.000 0.324 1158 S C -0.196 174.400 174.600 -0.007 0.000 1.071 1158 S CA -0.342 57.841 58.200 -0.029 0.000 1.113 1158 S CB 0.429 63.609 63.200 -0.032 0.000 0.976 1158 S HN 0.926 nan 8.310 nan 0.000 0.462 1159 S N 3.202 118.899 115.700 -0.004 0.000 2.472 1159 S HA 0.355 4.836 4.470 0.018 0.000 0.303 1159 S C 0.445 175.020 174.600 -0.041 0.000 1.099 1159 S CA -0.635 57.542 58.200 -0.038 0.000 1.077 1159 S CB 1.140 64.257 63.200 -0.137 0.000 1.031 1159 S HN 0.718 nan 8.310 nan 0.000 0.487 1160 D N 2.066 122.450 120.400 -0.027 0.000 2.348 1160 D HA 0.074 4.724 4.640 0.018 0.000 0.216 1160 D C 0.817 177.100 176.300 -0.028 0.000 0.970 1160 D CA 0.894 54.887 54.000 -0.013 0.000 0.889 1160 D CB 0.151 40.961 40.800 0.016 0.000 0.912 1160 D HN 0.714 nan 8.370 nan 0.000 0.524 1161 T N -3.834 110.669 114.554 -0.085 0.000 2.916 1161 T HA 0.304 4.664 4.350 0.018 0.000 0.292 1161 T C 0.470 175.102 174.700 -0.113 0.000 1.055 1161 T CA -0.897 61.165 62.100 -0.064 0.000 1.009 1161 T CB 1.310 70.133 68.868 -0.076 0.000 1.118 1161 T HN -0.111 nan 8.240 nan 0.000 0.497 1162 F N 0.030 119.838 119.950 -0.236 0.000 2.569 1162 F HA 0.232 4.770 4.527 0.018 0.000 0.295 1162 F C 0.835 176.276 175.800 -0.599 0.000 1.115 1162 F CA 0.548 58.287 58.000 -0.435 0.000 1.450 1162 F CB 0.004 38.694 39.000 -0.517 0.000 1.107 1162 F HN 0.681 nan 8.300 nan 0.000 0.563 1163 Y N 0.156 120.396 120.300 -0.101 0.000 2.435 1163 Y HA 0.198 4.758 4.550 0.016 0.000 0.251 1163 Y C -0.608 175.110 175.900 -0.304 0.000 1.077 1163 Y CA 0.255 58.253 58.100 -0.171 0.000 1.243 1163 Y CB -1.798 36.651 38.460 -0.019 0.000 1.107 1163 Y HN -0.230 nan 8.280 nan 0.000 0.496 1164 P HA -0.081 nan 4.420 nan 0.000 0.216 1164 P C 1.524 178.537 177.300 -0.478 0.000 1.153 1164 P CA 2.132 65.092 63.100 -0.233 0.000 0.848 1164 P CB -0.267 31.357 31.700 -0.126 0.000 0.787 1165 G N -0.368 108.030 108.800 -0.670 0.000 2.509 1165 G HA2 -0.213 3.757 3.960 0.018 0.000 0.218 1165 G HA3 -0.213 3.757 3.960 0.018 0.000 0.218 1165 G C 1.210 175.660 174.900 -0.749 0.000 1.124 1165 G CA 0.366 44.773 45.100 -1.156 0.000 0.776 1165 G HN 0.357 nan 8.290 nan 0.000 0.547 1166 Q N -0.570 118.800 119.800 -0.717 0.000 2.188 1166 Q HA 0.206 4.556 4.340 0.018 0.000 0.212 1166 Q C 0.017 175.679 176.000 -0.564 0.000 0.846 1166 Q CA -0.268 54.881 55.803 -1.089 0.000 0.989 1166 Q CB 0.492 28.413 28.738 -1.361 0.000 1.114 1166 Q HN 0.589 nan 8.270 nan 0.000 0.488 1167 E N 1.695 121.689 120.200 -0.343 0.000 2.228 1167 E HA -0.235 4.126 4.350 0.018 0.000 0.213 1167 E C -0.937 175.495 176.600 -0.281 0.000 1.282 1167 E CA 0.142 56.395 56.400 -0.245 0.000 0.707 1167 E CB -0.333 29.374 29.700 0.012 0.000 1.150 1167 E HN 0.337 nan 8.360 nan 0.000 0.362 1168 R N -0.035 120.278 120.500 -0.313 0.000 2.349 1168 R HA 0.249 4.599 4.340 0.018 0.000 0.299 1168 R C 0.275 176.441 176.300 -0.222 0.000 1.027 1168 R CA -0.179 55.831 56.100 -0.150 0.000 0.958 1168 R CB 0.525 30.793 30.300 -0.052 0.000 1.047 1168 R HN 0.210 nan 8.270 nan 0.000 0.468 1169 Y N -0.534 119.795 120.300 0.049 0.000 2.430 1169 Y HA 0.084 4.645 4.550 0.018 0.000 0.248 1169 Y C 0.328 176.250 175.900 0.037 0.000 1.108 1169 Y CA -0.226 57.897 58.100 0.037 0.000 1.264 1169 Y CB 0.649 39.123 38.460 0.022 0.000 1.172 1169 Y HN 0.555 nan 8.280 nan 0.000 0.520 1170 D N 1.681 122.194 120.400 0.188 0.000 2.600 1170 D HA 0.124 4.775 4.640 0.018 0.000 0.226 1170 D C -0.013 176.342 176.300 0.092 0.000 1.119 1170 D CA 0.325 54.405 54.000 0.133 0.000 1.051 1170 D CB -0.059 40.822 40.800 0.135 0.000 1.106 1170 D HN 0.239 nan 8.370 nan 0.000 0.491 1171 T N -2.152 112.427 114.554 0.041 0.000 2.816 1171 T HA 0.114 4.475 4.350 0.018 0.000 0.299 1171 T C 0.768 175.467 174.700 -0.001 0.000 1.230 1171 T CA -0.879 61.196 62.100 -0.042 0.000 1.007 1171 T CB 0.504 69.321 68.868 -0.085 0.000 1.289 1171 T HN 0.077 nan 8.240 nan 0.000 0.508 1172 Y N 1.956 122.187 120.300 -0.116 0.000 2.114 1172 Y HA -0.165 4.395 4.550 0.016 0.000 0.282 1172 Y C 2.667 178.545 175.900 -0.036 0.000 1.165 1172 Y CA 2.947 61.004 58.100 -0.072 0.000 1.148 1172 Y CB -0.617 37.791 38.460 -0.087 0.000 0.972 1172 Y HN 0.772 nan 8.280 nan 0.000 0.504 1173 S N -1.104 114.449 115.700 -0.245 0.000 2.425 1173 S HA 0.154 4.635 4.470 0.018 0.000 0.225 1173 S C 1.934 176.451 174.600 -0.138 0.000 1.024 1173 S CA 0.667 58.692 58.200 -0.293 0.000 0.951 1173 S CB -0.689 62.456 63.200 -0.091 0.000 0.796 1173 S HN 1.109 nan 8.310 nan 0.000 0.498 1174 G N 2.050 110.824 108.800 -0.043 0.000 2.166 1174 G HA2 -0.324 3.647 3.960 0.018 0.000 0.260 1174 G HA3 -0.324 3.647 3.960 0.018 0.000 0.260 1174 G C 0.021 175.011 174.900 0.150 0.000 0.986 1174 G CA 0.495 45.628 45.100 0.056 0.000 0.683 1174 G HN 1.036 nan 8.290 nan 0.000 0.527 1175 R N -1.335 119.219 120.500 0.089 0.000 2.807 1175 R HA 0.811 5.162 4.340 0.018 0.000 0.276 1175 R C -0.364 175.955 176.300 0.032 0.000 0.979 1175 R CA -0.507 55.670 56.100 0.127 0.000 0.928 1175 R CB 2.379 32.724 30.300 0.075 0.000 1.191 1175 R HN 0.890 nan 8.270 nan 0.000 0.471 1176 V N 0.216 120.154 119.914 0.039 0.000 2.604 1176 V HA 0.496 4.627 4.120 0.018 0.000 0.305 1176 V C 0.116 176.262 176.094 0.086 0.000 1.043 1176 V CA -1.094 61.186 62.300 -0.034 0.000 0.888 1176 V CB 1.549 33.225 31.823 -0.244 0.000 0.995 1176 V HN 0.709 nan 8.190 nan 0.000 0.429 1177 V N 5.674 125.657 119.914 0.116 0.000 2.901 1177 V HA 0.107 4.237 4.120 0.018 0.000 0.307 1177 V C 2.043 178.209 176.094 0.119 0.000 1.084 1177 V CA 1.115 63.491 62.300 0.126 0.000 1.184 1177 V CB 0.738 32.654 31.823 0.155 0.000 0.941 1177 V HN 1.135 nan 8.190 nan 0.000 0.493 1178 R N 4.006 124.546 120.500 0.067 0.000 2.189 1178 R HA -0.286 4.065 4.340 0.018 0.000 0.252 1178 R C 2.256 178.548 176.300 -0.013 0.000 1.134 1178 R CA 2.838 58.956 56.100 0.031 0.000 0.954 1178 R CB -0.471 29.835 30.300 0.010 0.000 0.890 1178 R HN 0.869 nan 8.270 nan 0.000 0.443 1179 R N -0.794 119.659 120.500 -0.078 0.000 2.127 1179 R HA -0.154 4.196 4.340 0.018 0.000 0.238 1179 R C 1.369 177.443 176.300 -0.376 0.000 1.134 1179 R CA 1.972 57.916 56.100 -0.260 0.000 0.975 1179 R CB -0.226 29.841 30.300 -0.388 0.000 0.865 1179 R HN 0.313 nan 8.270 nan 0.000 0.447 1180 F N 0.754 120.721 119.950 0.028 0.000 2.695 1180 F HA 0.306 4.851 4.527 0.031 0.000 0.303 1180 F C 0.278 176.083 175.800 0.007 0.000 1.091 1180 F CA -0.197 57.818 58.000 0.026 0.000 1.300 1180 F CB 0.294 39.313 39.000 0.031 0.000 1.071 1180 F HN -0.245 nan 8.300 nan 0.000 0.578 1181 K N 0.611 121.097 120.400 0.144 0.000 2.436 1181 K HA 0.248 4.578 4.320 0.018 0.000 0.282 1181 K C 1.225 177.866 176.600 0.069 0.000 1.044 1181 K CA 0.756 57.128 56.287 0.143 0.000 1.028 1181 K CB 0.004 32.572 32.500 0.113 0.000 0.919 1181 K HN 0.350 nan 8.250 nan 0.000 0.474 1182 G N 2.187 111.043 108.800 0.092 0.000 2.203 1182 G HA2 -0.336 3.635 3.960 0.018 0.000 0.263 1182 G HA3 -0.336 3.635 3.960 0.018 0.000 0.263 1182 G C 0.812 175.654 174.900 -0.097 0.000 1.012 1182 G CA 0.859 45.965 45.100 0.010 0.000 0.749 1182 G HN 0.701 nan 8.290 nan 0.000 0.512 1183 S N -1.233 114.410 115.700 -0.095 0.000 2.406 1183 S HA 0.111 4.592 4.470 0.018 0.000 0.224 1183 S C 2.237 176.525 174.600 -0.521 0.000 1.030 1183 S CA 1.299 59.270 58.200 -0.382 0.000 0.958 1183 S CB -0.213 62.918 63.200 -0.114 0.000 0.811 1183 S HN 0.653 nan 8.310 nan 0.000 0.489 1184 M N 1.919 121.498 119.600 -0.036 0.000 2.080 1184 M HA -0.146 4.345 4.480 0.018 0.000 0.260 1184 M C 2.360 178.669 176.300 0.015 0.000 1.068 1184 M CA 2.259 57.652 55.300 0.155 0.000 1.109 1184 M CB -0.342 32.426 32.600 0.279 0.000 1.342 1184 M HN 0.517 nan 8.290 nan 0.000 0.405 1185 E N -0.143 120.043 120.200 -0.023 0.000 2.160 1185 E HA -0.294 4.067 4.350 0.018 0.000 0.195 1185 E C 1.797 178.352 176.600 -0.076 0.000 0.991 1185 E CA 1.700 58.083 56.400 -0.028 0.000 0.810 1185 E CB -0.120 29.567 29.700 -0.022 0.000 0.742 1185 E HN 0.740 nan 8.360 nan 0.000 0.466 1186 E N -0.220 119.854 120.200 -0.210 0.000 2.046 1186 E HA -0.167 4.194 4.350 0.018 0.000 0.190 1186 E C 1.752 178.293 176.600 -0.099 0.000 0.982 1186 E CA 1.334 57.585 56.400 -0.249 0.000 0.800 1186 E CB -0.301 29.116 29.700 -0.471 0.000 0.756 1186 E HN 0.428 nan 8.360 nan 0.000 0.449 1187 W N 1.239 122.543 121.300 0.007 0.000 2.321 1187 W HA -0.232 4.431 4.660 0.005 0.000 0.306 1187 W C 2.670 179.157 176.519 -0.054 0.000 1.217 1187 W CA 0.850 58.172 57.345 -0.039 0.000 1.257 1187 W CB -0.284 29.112 29.460 -0.106 0.000 1.145 1187 W HN 0.288 nan 8.180 nan 0.000 0.509 1188 Q N 0.829 120.721 119.800 0.153 0.000 2.050 1188 Q HA -0.202 4.148 4.340 0.018 0.000 0.202 1188 Q C 2.346 178.388 176.000 0.069 0.000 0.980 1188 Q CA 2.042 57.891 55.803 0.077 0.000 0.840 1188 Q CB -0.436 28.329 28.738 0.045 0.000 0.898 1188 Q HN 0.227 nan 8.270 nan 0.000 0.424 1189 A N -0.006 122.845 122.820 0.051 0.000 2.121 1189 A HA -0.059 4.272 4.320 0.018 0.000 0.218 1189 A C 1.761 179.378 177.584 0.056 0.000 1.154 1189 A CA 0.900 52.960 52.037 0.039 0.000 0.679 1189 A CB -0.272 18.735 19.000 0.013 0.000 0.795 1189 A HN 0.468 nan 8.150 nan 0.000 0.458 1190 M N -1.671 117.984 119.600 0.092 0.000 2.502 1190 M HA 0.177 4.667 4.480 0.018 0.000 0.243 1190 M C 1.297 177.649 176.300 0.087 0.000 1.130 1190 M CA 0.842 56.205 55.300 0.105 0.000 1.055 1190 M CB 0.430 33.138 32.600 0.180 0.000 1.457 1190 M HN 0.593 nan 8.290 nan 0.000 0.488 1191 G N 0.728 109.578 108.800 0.083 0.000 2.141 1191 G HA2 -0.186 3.785 3.960 0.018 0.000 0.231 1191 G HA3 -0.186 3.785 3.960 0.018 0.000 0.231 1191 G C -0.019 174.911 174.900 0.050 0.000 0.984 1191 G CA -0.322 44.822 45.100 0.074 0.000 0.660 1191 G HN 0.276 nan 8.290 nan 0.000 0.525 1192 V N 2.022 121.960 119.914 0.040 0.000 2.529 1192 V HA 0.221 4.352 4.120 0.018 0.000 0.292 1192 V C 1.911 177.954 176.094 -0.085 0.000 1.028 1192 V CA 0.875 63.156 62.300 -0.033 0.000 1.074 1192 V CB 1.169 32.956 31.823 -0.060 0.000 0.958 1192 V HN 0.412 nan 8.190 nan 0.000 0.481 1193 M N 3.360 122.896 119.600 -0.106 0.000 2.123 1193 M HA 0.019 4.509 4.480 0.018 0.000 0.263 1193 M C 0.787 176.981 176.300 -0.177 0.000 1.069 1193 M CA 1.460 56.675 55.300 -0.141 0.000 1.133 1193 M CB -0.089 32.451 32.600 -0.100 0.000 1.356 1193 M HN 0.955 nan 8.290 nan 0.000 0.415 1194 N N -2.049 116.532 118.700 -0.199 0.000 3.116 1194 N HA 0.159 4.910 4.740 0.018 0.000 0.244 1194 N C -1.981 173.374 175.510 -0.258 0.000 1.485 1194 N CA -0.673 52.260 53.050 -0.194 0.000 0.884 1194 N CB 1.196 39.629 38.487 -0.091 0.000 1.415 1194 N HN -0.087 nan 8.380 nan 0.000 0.524 1195 Y N -0.125 120.123 120.300 -0.086 0.000 2.360 1195 Y HA 0.444 5.003 4.550 0.015 0.000 0.337 1195 Y C 0.373 176.219 175.900 -0.089 0.000 1.039 1195 Y CA -0.139 57.895 58.100 -0.110 0.000 1.109 1195 Y CB 1.472 39.852 38.460 -0.134 0.000 1.201 1195 Y HN 0.768 nan 8.280 nan 0.000 0.458 1196 E N 0.124 120.379 120.200 0.092 0.000 2.391 1196 E HA 0.542 4.903 4.350 0.018 0.000 0.256 1196 E C -0.970 175.647 176.600 0.027 0.000 0.975 1196 E CA -0.719 55.711 56.400 0.049 0.000 0.881 1196 E CB 1.130 30.848 29.700 0.030 0.000 1.728 1196 E HN 0.444 nan 8.360 nan 0.000 0.446 1197 M N -0.613 118.999 119.600 0.020 0.000 2.327 1197 M HA 0.333 4.824 4.480 0.018 0.000 0.365 1197 M C -0.206 176.096 176.300 0.003 0.000 0.992 1197 M CA 0.232 55.538 55.300 0.009 0.000 0.985 1197 M CB 0.734 33.346 32.600 0.019 0.000 1.673 1197 M HN 0.504 nan 8.290 nan 0.000 0.586 1198 E N -0.750 119.451 120.200 0.001 0.000 2.505 1198 E HA 0.069 4.430 4.350 0.018 0.000 0.212 1198 E C 1.802 178.392 176.600 -0.017 0.000 0.825 1198 E CA 0.688 57.084 56.400 -0.005 0.000 1.333 1198 E CB 0.344 30.045 29.700 0.001 0.000 1.319 1198 E HN 0.296 nan 8.360 nan 0.000 0.658 1199 S N 0.975 116.666 115.700 -0.014 0.000 2.382 1199 S HA -0.109 4.372 4.470 0.018 0.000 0.228 1199 S C 2.223 176.809 174.600 -0.024 0.000 1.027 1199 S CA 0.988 59.176 58.200 -0.019 0.000 0.991 1199 S CB -0.328 62.864 63.200 -0.015 0.000 0.823 1199 S HN 0.232 nan 8.310 nan 0.000 0.469 1200 A N 1.906 124.714 122.820 -0.019 0.000 1.883 1200 A HA -0.073 4.257 4.320 0.018 0.000 0.217 1200 A C 2.461 180.039 177.584 -0.011 0.000 1.186 1200 A CA 2.266 54.298 52.037 -0.007 0.000 0.624 1200 A CB -1.733 17.267 19.000 0.001 0.000 0.822 1200 A HN 0.573 nan 8.150 nan 0.000 0.444 1201 T N -0.053 114.487 114.554 -0.025 0.000 2.701 1201 T HA -0.116 4.245 4.350 0.018 0.000 0.263 1201 T C 1.876 176.488 174.700 -0.146 0.000 1.040 1201 T CA 1.465 63.532 62.100 -0.054 0.000 1.147 1201 T CB -0.441 68.404 68.868 -0.038 0.000 0.865 1201 T HN 0.332 nan 8.240 nan 0.000 0.426 1202 L N 1.121 122.267 121.223 -0.127 0.000 2.013 1202 L HA -0.038 4.313 4.340 0.018 0.000 0.212 1202 L C 2.137 178.906 176.870 -0.167 0.000 1.073 1202 L CA 1.748 56.483 54.840 -0.176 0.000 0.753 1202 L CB -0.736 41.258 42.059 -0.107 0.000 0.890 1202 L HN 0.262 nan 8.230 nan 0.000 0.432 1203 L N -1.637 119.537 121.223 -0.083 0.000 2.109 1203 L HA -0.128 4.223 4.340 0.018 0.000 0.207 1203 L C 2.308 179.170 176.870 -0.014 0.000 1.086 1203 L CA 1.420 56.240 54.840 -0.033 0.000 0.760 1203 L CB -1.123 40.940 42.059 0.006 0.000 0.910 1203 L HN 0.261 nan 8.230 nan 0.000 0.437 1204 T N 0.834 115.376 114.554 -0.019 0.000 2.737 1204 T HA -0.199 4.161 4.350 0.018 0.000 0.265 1204 T C 1.883 176.493 174.700 -0.149 0.000 1.038 1204 T CA 1.875 63.989 62.100 0.023 0.000 1.144 1204 T CB -0.246 68.662 68.868 0.067 0.000 0.866 1204 T HN 0.430 nan 8.240 nan 0.000 0.434 1205 M N 0.247 119.612 119.600 -0.391 0.000 2.213 1205 M HA -0.014 4.477 4.480 0.018 0.000 0.263 1205 M C 2.204 178.245 176.300 -0.432 0.000 1.062 1205 M CA 1.469 56.306 55.300 -0.772 0.000 1.105 1205 M CB -1.078 30.593 32.600 -1.549 0.000 1.385 1205 M HN 0.178 nan 8.290 nan 0.000 0.417 1206 C N 1.271 120.398 119.300 -0.288 0.000 2.500 1206 C HA 0.193 4.664 4.460 0.018 0.000 0.279 1206 C C 3.267 178.240 174.990 -0.028 0.000 1.288 1206 C CA 0.954 59.880 59.018 -0.154 0.000 1.710 1206 C CB -1.058 26.613 27.740 -0.116 0.000 2.052 1206 C HN 0.761 nan 8.230 nan 0.000 0.488 1207 A N 0.913 123.754 122.820 0.036 0.000 2.070 1207 A HA -0.103 4.227 4.320 0.018 0.000 0.220 1207 A C 2.064 179.766 177.584 0.197 0.000 1.159 1207 A CA 1.999 54.137 52.037 0.169 0.000 0.656 1207 A CB -0.519 18.656 19.000 0.292 0.000 0.800 1207 A HN 0.707 nan 8.150 nan 0.000 0.453 1208 S N -2.081 113.610 115.700 -0.016 0.000 2.572 1208 S HA 0.259 4.740 4.470 0.018 0.000 0.228 1208 S C 0.682 175.239 174.600 -0.072 0.000 0.963 1208 S CA -0.024 58.064 58.200 -0.187 0.000 0.939 1208 S CB 0.141 62.974 63.200 -0.612 0.000 0.804 1208 S HN 0.590 nan 8.310 nan 0.000 0.480 1209 Q N 0.369 120.155 119.800 -0.023 0.000 2.055 1209 Q HA 0.334 4.685 4.340 0.018 0.000 0.226 1209 Q C 0.553 176.571 176.000 0.030 0.000 0.805 1209 Q CA 0.008 55.812 55.803 0.002 0.000 1.072 1209 Q CB 1.008 29.738 28.738 -0.013 0.000 1.219 1209 Q HN 0.624 nan 8.270 nan 0.000 0.451 1210 G N 1.419 110.247 108.800 0.048 0.000 2.225 1210 G HA2 -0.280 3.690 3.960 0.018 0.000 0.267 1210 G HA3 -0.280 3.690 3.960 0.018 0.000 0.267 1210 G C -0.134 174.810 174.900 0.073 0.000 1.024 1210 G CA 0.385 45.522 45.100 0.062 0.000 0.784 1210 G HN 0.280 nan 8.290 nan 0.000 0.507 1211 L N -0.698 120.572 121.223 0.078 0.000 2.334 1211 L HA 0.647 4.998 4.340 0.018 0.000 0.273 1211 L C 0.914 177.864 176.870 0.132 0.000 1.013 1211 L CA -1.185 53.732 54.840 0.130 0.000 0.816 1211 L CB 1.472 43.623 42.059 0.153 0.000 1.278 1211 L HN 0.060 nan 8.230 nan 0.000 0.431 1212 R N 1.692 122.291 120.500 0.164 0.000 2.349 1212 R HA 0.789 5.140 4.340 0.018 0.000 0.299 1212 R C -0.733 175.681 176.300 0.191 0.000 1.027 1212 R CA -0.514 55.668 56.100 0.137 0.000 0.958 1212 R CB 1.621 31.976 30.300 0.091 0.000 1.047 1212 R HN 0.711 nan 8.270 nan 0.000 0.468 1213 A N 1.238 124.136 122.820 0.130 0.000 2.515 1213 A HA 0.813 5.143 4.320 0.018 0.000 0.298 1213 A C -0.855 176.775 177.584 0.076 0.000 1.059 1213 A CA -0.593 51.521 52.037 0.128 0.000 0.698 1213 A CB 2.301 21.348 19.000 0.077 0.000 1.289 1213 A HN 0.770 nan 8.150 nan 0.000 0.404 1214 G N -0.296 108.545 108.800 0.068 0.000 2.694 1214 G HA2 0.681 4.652 3.960 0.018 0.000 0.290 1214 G HA3 0.681 4.652 3.960 0.018 0.000 0.290 1214 G C -1.230 173.691 174.900 0.034 0.000 1.386 1214 G CA -0.437 44.685 45.100 0.038 0.000 0.872 1214 G HN 1.108 nan 8.290 nan 0.000 0.475 1215 M N 1.142 120.755 119.600 0.021 0.000 2.378 1215 M HA 0.680 5.171 4.480 0.018 0.000 0.289 1215 M C -1.884 174.424 176.300 0.013 0.000 1.136 1215 M CA -0.832 54.479 55.300 0.019 0.000 0.917 1215 M CB 2.326 34.935 32.600 0.015 0.000 1.669 1215 M HN 0.660 nan 8.290 nan 0.000 0.461 1216 V N 3.936 123.858 119.914 0.014 0.000 2.823 1216 V HA 1.054 5.185 4.120 0.018 0.000 0.312 1216 V C -1.524 174.580 176.094 0.016 0.000 1.072 1216 V CA 0.012 62.319 62.300 0.013 0.000 0.937 1216 V CB 1.996 33.825 31.823 0.009 0.000 1.013 1216 V HN 1.093 nan 8.190 nan 0.000 0.430 1217 A N 3.472 126.304 122.820 0.019 0.000 2.606 1217 A HA 0.905 5.236 4.320 0.018 0.000 0.293 1217 A C -0.349 177.251 177.584 0.027 0.000 1.082 1217 A CA -0.182 51.868 52.037 0.021 0.000 0.685 1217 A CB 1.753 20.764 19.000 0.019 0.000 1.284 1217 A HN 1.661 nan 8.150 nan 0.000 0.408 1218 G N -0.131 108.686 108.800 0.029 0.000 2.343 1218 G HA2 0.539 4.510 3.960 0.018 0.000 0.319 1218 G HA3 0.539 4.510 3.960 0.018 0.000 0.319 1218 G C -0.685 174.235 174.900 0.033 0.000 1.126 1218 G CA -0.383 44.738 45.100 0.035 0.000 0.889 1218 G HN 0.931 nan 8.290 nan 0.000 0.457 1219 V N 3.914 123.850 119.914 0.036 0.000 2.427 1219 V HA 0.118 4.249 4.120 0.018 0.000 0.268 1219 V C 1.290 177.401 176.094 0.028 0.000 1.046 1219 V CA -0.020 62.297 62.300 0.028 0.000 0.970 1219 V CB 0.615 32.453 31.823 0.025 0.000 1.001 1219 V HN 0.760 nan 8.190 nan 0.000 0.476 1220 I N 2.845 123.431 120.570 0.026 0.000 4.082 1220 I HA 0.489 4.670 4.170 0.018 0.000 0.337 1220 I C 0.008 176.140 176.117 0.025 0.000 1.352 1220 I CA 0.191 61.507 61.300 0.026 0.000 1.097 1220 I CB 0.817 38.832 38.000 0.026 0.000 1.048 1220 I HN 0.357 nan 8.210 nan 0.000 0.393 1221 V N 1.460 121.387 119.914 0.023 0.000 3.000 1221 V HA 0.365 4.496 4.120 0.018 0.000 0.300 1221 V C -1.425 174.676 176.094 0.012 0.000 1.251 1221 V CA -0.639 61.675 62.300 0.022 0.000 0.972 1221 V CB 2.313 34.155 31.823 0.032 0.000 1.065 1221 V HN 0.307 nan 8.190 nan 0.000 0.431 1222 N N 3.282 121.988 118.700 0.009 0.000 2.443 1222 N HA 0.383 5.134 4.740 0.018 0.000 0.269 1222 N C 0.802 176.318 175.510 0.010 0.000 0.985 1222 N CA -0.582 52.467 53.050 -0.002 0.000 0.921 1222 N CB 2.009 40.489 38.487 -0.012 0.000 1.195 1222 N HN 0.536 nan 8.380 nan 0.000 0.492 1223 R N 0.762 121.271 120.500 0.016 0.000 2.096 1223 R HA -0.091 4.260 4.340 0.018 0.000 0.235 1223 R C 1.616 177.936 176.300 0.033 0.000 1.127 1223 R CA 1.809 57.929 56.100 0.033 0.000 0.968 1223 R CB -0.678 29.661 30.300 0.065 0.000 0.861 1223 R HN 0.747 nan 8.270 nan 0.000 0.440 1224 T N -0.997 113.569 114.554 0.020 0.000 2.881 1224 T HA -0.143 4.218 4.350 0.018 0.000 0.270 1224 T C 1.208 175.920 174.700 0.020 0.000 1.068 1224 T CA 0.814 62.927 62.100 0.021 0.000 1.131 1224 T CB 0.047 68.920 68.868 0.008 0.000 0.871 1224 T HN 0.319 nan 8.240 nan 0.000 0.479 1231 A N 0.298 123.123 122.820 0.009 0.000 1.883 1231 A HA -0.222 4.109 4.320 0.018 0.000 0.217 1231 A C 1.890 179.475 177.584 0.003 0.000 1.186 1231 A CA 2.650 54.690 52.037 0.005 0.000 0.624 1231 A CB -1.006 17.994 19.000 0.002 0.000 0.822 1231 A HN 0.881 nan 8.150 nan 0.000 0.444 1232 E N 0.293 120.494 120.200 0.003 0.000 2.150 1232 E HA -0.150 4.210 4.350 0.018 0.000 0.193 1232 E C 1.834 178.437 176.600 0.005 0.000 0.985 1232 E CA 2.219 58.619 56.400 0.001 0.000 0.814 1232 E CB -0.615 29.086 29.700 0.001 0.000 0.752 1232 E HN 0.621 nan 8.360 nan 0.000 0.466 1233 T N -2.086 112.476 114.554 0.012 0.000 3.067 1233 T HA 0.036 4.396 4.350 0.018 0.000 0.261 1233 T C 1.879 176.592 174.700 0.023 0.000 1.110 1233 T CA 0.791 62.903 62.100 0.021 0.000 1.113 1233 T CB -0.191 68.691 68.868 0.024 0.000 0.917 1233 T HN 0.112 nan 8.240 nan 0.000 0.499 1234 M N 0.784 120.393 119.600 0.016 0.000 2.156 1234 M HA 0.059 4.550 4.480 0.018 0.000 0.264 1234 M C 2.528 178.833 176.300 0.008 0.000 1.067 1234 M CA 1.556 56.865 55.300 0.015 0.000 1.131 1234 M CB -0.299 32.308 32.600 0.011 0.000 1.368 1234 M HN 0.199 nan 8.290 nan 0.000 0.416 1235 K N -0.009 120.390 120.400 -0.002 0.000 2.057 1235 K HA -0.215 4.115 4.320 0.018 0.000 0.207 1235 K C 2.061 178.646 176.600 -0.025 0.000 1.049 1235 K CA 1.344 57.621 56.287 -0.017 0.000 0.931 1235 K CB -0.210 32.277 32.500 -0.023 0.000 0.714 1235 K HN 0.124 nan 8.250 nan 0.000 0.440 1236 Q N 0.521 120.313 119.800 -0.013 0.000 2.291 1236 Q HA -0.073 4.277 4.340 0.018 0.000 0.205 1236 Q C 1.586 177.604 176.000 0.029 0.000 0.970 1236 Q CA 1.591 57.382 55.803 -0.020 0.000 0.876 1236 Q CB -0.050 28.697 28.738 0.016 0.000 0.935 1236 Q HN 0.205 nan 8.270 nan 0.000 0.455 1237 T N -0.180 114.408 114.554 0.057 0.000 2.770 1237 T HA -0.116 4.244 4.350 0.018 0.000 0.258 1237 T C 1.442 176.182 174.700 0.068 0.000 1.039 1237 T CA 1.197 63.354 62.100 0.094 0.000 1.143 1237 T CB -0.224 68.682 68.868 0.063 0.000 0.866 1237 T HN 0.472 nan 8.240 nan 0.000 0.428 1238 E N 1.310 121.523 120.200 0.022 0.000 2.097 1238 E HA -0.190 4.171 4.350 0.018 0.000 0.196 1238 E C 2.282 178.872 176.600 -0.016 0.000 1.000 1238 E CA 1.642 58.045 56.400 0.004 0.000 0.804 1238 E CB -0.106 29.587 29.700 -0.012 0.000 0.740 1238 E HN 0.580 nan 8.360 nan 0.000 0.454 1239 S N -0.267 115.396 115.700 -0.061 0.000 2.399 1239 S HA -0.201 4.279 4.470 0.018 0.000 0.231 1239 S C 1.871 176.393 174.600 -0.129 0.000 1.022 1239 S CA 1.139 59.265 58.200 -0.123 0.000 0.983 1239 S CB -0.456 62.628 63.200 -0.193 0.000 0.803 1239 S HN 0.384 nan 8.310 nan 0.000 0.480 1240 H N 1.584 120.645 119.070 -0.015 0.000 2.372 1240 H HA 0.324 4.891 4.556 0.018 0.000 0.301 1240 H C 2.640 177.959 175.328 -0.014 0.000 1.065 1240 H CA 1.204 57.244 56.048 -0.014 0.000 1.364 1240 H CB -0.769 28.986 29.762 -0.011 0.000 1.406 1240 H HN 0.563 nan 8.280 nan 0.000 0.521 1241 A N 0.590 123.477 122.820 0.111 0.000 1.972 1241 A HA -0.082 4.249 4.320 0.018 0.000 0.219 1241 A C 2.744 180.346 177.584 0.030 0.000 1.169 1241 A CA 1.267 53.337 52.037 0.056 0.000 0.635 1241 A CB -0.692 18.332 19.000 0.040 0.000 0.810 1241 A HN 0.201 nan 8.150 nan 0.000 0.446 1242 V N 0.084 120.006 119.914 0.014 0.000 2.358 1242 V HA -0.245 3.885 4.120 0.018 0.000 0.246 1242 V C 2.412 178.503 176.094 -0.004 0.000 1.047 1242 V CA 2.250 64.545 62.300 -0.008 0.000 1.035 1242 V CB -0.584 31.219 31.823 -0.033 0.000 0.658 1242 V HN 0.546 nan 8.190 nan 0.000 0.452 1243 K N -0.201 120.203 120.400 0.007 0.000 2.103 1243 K HA -0.128 4.203 4.320 0.018 0.000 0.207 1243 K C 2.030 178.644 176.600 0.024 0.000 1.048 1243 K CA 1.563 57.860 56.287 0.018 0.000 0.930 1243 K CB -0.300 32.230 32.500 0.050 0.000 0.716 1243 K HN 0.401 nan 8.250 nan 0.000 0.444 1244 I N 0.347 120.937 120.570 0.033 0.000 2.179 1244 I HA -0.266 3.914 4.170 0.018 0.000 0.242 1244 I C 2.397 178.517 176.117 0.004 0.000 1.088 1244 I CA 0.968 62.279 61.300 0.018 0.000 1.357 1244 I CB -0.289 37.722 38.000 0.017 0.000 1.051 1244 I HN 0.008 nan 8.210 nan 0.000 0.409 1245 V N 0.403 120.320 119.914 0.004 0.000 2.427 1245 V HA -0.189 3.942 4.120 0.018 0.000 0.248 1245 V C 2.363 178.454 176.094 -0.005 0.000 1.051 1245 V CA 1.612 63.911 62.300 -0.000 0.000 1.048 1245 V CB 0.147 31.972 31.823 0.003 0.000 0.666 1245 V HN 0.210 nan 8.190 nan 0.000 0.456 1246 V N 0.000 119.911 119.914 -0.005 0.000 2.358 1246 V HA -0.152 3.979 4.120 0.018 0.000 0.246 1246 V C 2.678 178.768 176.094 -0.008 0.000 1.047 1246 V CA 2.113 64.408 62.300 -0.008 0.000 1.035 1246 V CB -0.671 31.146 31.823 -0.010 0.000 0.658 1246 V HN 0.545 nan 8.190 nan 0.000 0.452 1247 E N 0.243 120.440 120.200 -0.006 0.000 2.106 1247 E HA -0.121 4.239 4.350 0.018 0.000 0.192 1247 E C 2.339 178.930 176.600 -0.014 0.000 0.984 1247 E CA 1.399 57.794 56.400 -0.008 0.000 0.806 1247 E CB -0.463 29.235 29.700 -0.004 0.000 0.750 1247 E HN 0.562 nan 8.360 nan 0.000 0.458 1248 A N 1.406 124.216 122.820 -0.016 0.000 1.898 1248 A HA -0.068 4.262 4.320 0.018 0.000 0.216 1248 A C 2.426 179.995 177.584 -0.025 0.000 1.181 1248 A CA 1.885 53.907 52.037 -0.025 0.000 0.620 1248 A CB -0.558 18.427 19.000 -0.025 0.000 0.819 1248 A HN 0.256 nan 8.150 nan 0.000 0.442 1249 A N 0.051 122.859 122.820 -0.019 0.000 1.917 1249 A HA -0.223 4.107 4.320 0.018 0.000 0.219 1249 A C 2.228 179.799 177.584 -0.022 0.000 1.182 1249 A CA 1.602 53.626 52.037 -0.021 0.000 0.633 1249 A CB -0.544 18.446 19.000 -0.018 0.000 0.819 1249 A HN 0.539 nan 8.150 nan 0.000 0.448 1250 R N -0.517 119.972 120.500 -0.018 0.000 2.105 1250 R HA -0.132 4.219 4.340 0.018 0.000 0.239 1250 R C 1.999 178.288 176.300 -0.018 0.000 1.135 1250 R CA 1.602 57.693 56.100 -0.016 0.000 0.967 1250 R CB -0.343 29.949 30.300 -0.012 0.000 0.861 1250 R HN 0.575 nan 8.270 nan 0.000 0.442 1251 R N 0.375 120.861 120.500 -0.023 0.000 2.313 1251 R HA 0.076 4.426 4.340 0.018 0.000 0.199 1251 R C 1.633 177.917 176.300 -0.028 0.000 0.958 1251 R CA 0.457 56.541 56.100 -0.026 0.000 1.047 1251 R CB 0.101 30.381 30.300 -0.033 0.000 0.955 1251 R HN 0.211 nan 8.270 nan 0.000 0.481 1252 L N 0.162 121.369 121.223 -0.028 0.000 2.638 1252 L HA 0.211 4.561 4.340 0.018 0.000 0.232 1252 L C 0.770 177.625 176.870 -0.025 0.000 1.099 1252 L CA -0.159 54.665 54.840 -0.028 0.000 0.883 1252 L CB 0.209 42.249 42.059 -0.031 0.000 1.136 1252 L HN 0.043 nan 8.230 nan 0.000 0.492 1253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 1253 L HA 0.000 4.351 4.340 0.018 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 1253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502