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 1y8z_1_A DATA FIRST_RESID 999 DATA SEQUENCE GSMRICIFMA RGLEGXGVTK FSLEQRDWFI KNGHEVTLVY AKDKSFTRTS DATA SEQUENCE SHDHKSFSIP VILAKEYDKA LKLVNDCDIL IINSVPATSV QEATINNYKK DATA SEQUENCE LLDNIKPSIR VVVYQHDHSV LSLRRNLGLE ETVRRADVIF SHSDNGDFNK DATA SEQUENCE VLMKEWYPXX XXXXXXXXXA PTVYNFQPPM DIVKVRSTYW KDVSEINMNI DATA SEQUENCE NRWIGRTTTW KGFYQMFDFH EKFLKPAGKS TVMEGLERSP AFIAIKEKGI DATA SEQUENCE PYEYYGNREI DKMNLAPNQP AQILDXYINS EMLERMSKSG FGYQLSKLNQ DATA SEQUENCE KYLQRSLEYT HLELGACGTI PVFWKSTGEN LKFRVDNTPL TSHDSGIIWF DATA SEQUENCE DENDMESTFE RIKELSSDRA LYDREREKAY EFLYQHQDSS FCFKEQFDII DATA SEQUENCE TK 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 999 G HA2 0.000 nan 3.960 nan 0.000 0.244 999 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 999 G C 0.000 175.071 174.900 0.285 0.000 0.946 999 G CA 0.000 45.295 45.100 0.325 0.000 0.502 1000 S N -0.643 115.253 115.700 0.326 0.000 3.391 1000 S HA -0.180 4.290 4.470 0.000 0.000 0.458 1000 S C 0.490 175.281 174.600 0.319 0.000 0.812 1000 S CA 1.448 59.762 58.200 0.190 0.000 1.366 1000 S CB -1.152 62.059 63.200 0.018 0.000 0.943 1000 S HN 0.680 nan 8.310 nan 0.000 0.680 1001 M N 2.360 122.292 119.600 0.554 0.000 2.796 1001 M HA 0.545 5.025 4.480 0.000 0.000 0.303 1001 M C 0.188 176.575 176.300 0.144 0.000 1.240 1001 M CA -0.877 54.559 55.300 0.226 0.000 0.831 1001 M CB 1.550 34.222 32.600 0.119 0.000 1.750 1001 M HN 0.481 nan 8.290 nan 0.000 0.484 1002 R N 1.334 121.857 120.500 0.038 0.000 2.255 1002 R HA 0.547 4.888 4.340 0.000 0.000 0.326 1002 R C -1.552 174.698 176.300 -0.084 0.000 0.986 1002 R CA -0.357 55.737 56.100 -0.011 0.000 0.847 1002 R CB 0.636 30.928 30.300 -0.014 0.000 1.111 1002 R HN 0.475 nan 8.270 nan 0.000 0.452 1003 I N 4.275 124.756 120.570 -0.148 0.000 2.378 1003 I HA 0.237 4.407 4.170 0.000 0.000 0.291 1003 I C -0.269 175.748 176.117 -0.167 0.000 0.992 1003 I CA -1.113 60.030 61.300 -0.262 0.000 1.154 1003 I CB 1.221 38.856 38.000 -0.609 0.000 1.315 1003 I HN 0.673 nan 8.210 nan 0.000 0.448 1004 C N 8.178 127.407 119.300 -0.118 0.000 2.281 1004 C HA 0.613 5.073 4.460 0.000 0.000 0.323 1004 C C 0.069 175.060 174.990 0.001 0.000 1.270 1004 C CA -0.500 58.484 59.018 -0.057 0.000 1.559 1004 C CB -0.738 26.964 27.740 -0.063 0.000 2.239 1004 C HN 0.636 nan 8.230 nan 0.000 0.488 1005 I N 6.428 127.021 120.570 0.038 0.000 2.315 1005 I HA 0.329 4.499 4.170 0.000 0.000 0.291 1005 I C -0.270 175.996 176.117 0.248 0.000 1.006 1005 I CA -0.041 61.330 61.300 0.117 0.000 1.265 1005 I CB 0.800 38.841 38.000 0.069 0.000 1.387 1005 I HN 0.640 nan 8.210 nan 0.000 0.475 1006 F N 7.492 127.496 119.950 0.090 0.000 2.460 1006 F HA 0.516 5.044 4.527 0.000 0.000 0.341 1006 F C -0.403 175.467 175.800 0.116 0.000 1.130 1006 F CA -1.027 57.038 58.000 0.109 0.000 0.962 1006 F CB 1.206 40.276 39.000 0.117 0.000 1.171 1006 F HN 0.347 nan 8.300 nan 0.000 0.436 1007 M N 6.730 126.437 119.600 0.179 0.000 2.208 1007 M HA 0.265 4.745 4.480 0.000 0.000 0.352 1007 M C 0.759 176.900 176.300 -0.265 0.000 1.137 1007 M CA -0.289 54.967 55.300 -0.074 0.000 1.091 1007 M CB 1.409 34.007 32.600 -0.004 0.000 1.309 1007 M HN 0.768 nan 8.290 nan 0.000 0.408 1008 A N 2.108 124.503 122.820 -0.708 0.000 2.209 1008 A HA -0.052 4.269 4.320 0.000 0.000 0.212 1008 A C 2.090 179.474 177.584 -0.334 0.000 1.158 1008 A CA 1.091 52.675 52.037 -0.756 0.000 0.742 1008 A CB -0.342 18.017 19.000 -1.067 0.000 0.790 1008 A HN 0.826 nan 8.150 nan 0.000 0.472 1009 R N -0.924 119.452 120.500 -0.207 0.000 2.210 1009 R HA 0.311 4.651 4.340 0.000 0.000 0.203 1009 R C 0.834 177.211 176.300 0.128 0.000 1.010 1009 R CA 0.922 56.989 56.100 -0.056 0.000 1.008 1009 R CB 0.057 30.313 30.300 -0.074 0.000 0.923 1009 R HN 0.627 nan 8.270 nan 0.000 0.469 1010 G N 0.106 108.963 108.800 0.096 0.000 2.371 1010 G HA2 -0.103 3.857 3.960 0.000 0.000 0.663 1010 G HA3 -0.103 3.857 3.960 0.000 0.000 0.663 1010 G C -1.668 173.212 174.900 -0.033 0.000 1.311 1010 G CA -0.615 44.651 45.100 0.276 0.000 0.985 1010 G HN 0.124 nan 8.290 nan 0.000 0.566 1011 L N 1.135 122.279 121.223 -0.132 0.000 2.315 1011 L HA 0.448 4.788 4.340 0.000 0.000 0.278 1011 L C 1.893 178.470 176.870 -0.488 0.000 1.088 1011 L CA -0.355 54.173 54.840 -0.520 0.000 0.899 1011 L CB 0.534 41.932 42.059 -1.101 0.000 1.277 1011 L HN 0.812 nan 8.230 nan 0.000 0.431 1012 E N 3.661 123.423 120.200 -0.730 0.000 2.285 1012 E HA 0.110 4.461 4.350 0.000 0.000 0.194 1012 E C 0.713 177.092 176.600 -0.369 0.000 0.997 1012 E CA 0.917 56.766 56.400 -0.919 0.000 0.845 1012 E CB -0.040 29.002 29.700 -1.097 0.000 0.782 1012 E HN 0.645 nan 8.360 nan 0.000 0.491 1016 V N 1.722 121.541 119.914 -0.160 0.000 2.379 1016 V HA -0.063 4.057 4.120 0.000 0.000 0.245 1016 V C 2.919 178.871 176.094 -0.237 0.000 1.044 1016 V CA 2.739 64.833 62.300 -0.345 0.000 1.036 1016 V CB -0.755 30.858 31.823 -0.350 0.000 0.664 1016 V HN 0.371 nan 8.190 nan 0.000 0.453 1017 T N -0.180 114.203 114.554 -0.285 0.000 2.737 1017 T HA -0.204 4.146 4.350 0.000 0.000 0.265 1017 T C 2.021 176.462 174.700 -0.432 0.000 1.038 1017 T CA 1.853 63.741 62.100 -0.354 0.000 1.144 1017 T CB -0.212 68.407 68.868 -0.415 0.000 0.866 1017 T HN 0.319 nan 8.240 nan 0.000 0.434 1018 K N 1.148 121.193 120.400 -0.592 0.000 2.032 1018 K HA -0.063 4.258 4.320 0.000 0.000 0.209 1018 K C 1.844 178.154 176.600 -0.483 0.000 1.048 1018 K CA 1.350 57.198 56.287 -0.732 0.000 0.927 1018 K CB -0.875 31.106 32.500 -0.864 0.000 0.712 1018 K HN 0.341 nan 8.250 nan 0.000 0.441 1019 F N 0.867 120.608 119.950 -0.349 0.000 2.102 1019 F HA -0.172 4.355 4.527 0.000 0.000 0.298 1019 F C 1.969 177.776 175.800 0.012 0.000 1.105 1019 F CA 1.974 59.995 58.000 0.035 0.000 1.239 1019 F CB -0.638 38.473 39.000 0.185 0.000 0.991 1019 F HN 0.029 nan 8.300 nan 0.000 0.474 1020 S N 1.030 116.696 115.700 -0.057 0.000 2.383 1020 S HA -0.164 4.306 4.470 0.000 0.000 0.229 1020 S C 2.108 176.632 174.600 -0.128 0.000 1.030 1020 S CA 1.559 59.691 58.200 -0.114 0.000 1.002 1020 S CB -0.548 62.636 63.200 -0.026 0.000 0.829 1020 S HN 0.398 nan 8.310 nan 0.000 0.467 1021 L N 1.083 122.237 121.223 -0.116 0.000 2.072 1021 L HA -0.041 4.299 4.340 0.000 0.000 0.205 1021 L C 2.607 179.429 176.870 -0.080 0.000 1.079 1021 L CA 0.990 55.808 54.840 -0.038 0.000 0.752 1021 L CB -0.536 41.519 42.059 -0.007 0.000 0.906 1021 L HN 0.223 nan 8.230 nan 0.000 0.436 1022 E N 0.048 120.189 120.200 -0.098 0.000 2.150 1022 E HA -0.245 4.105 4.350 0.000 0.000 0.193 1022 E C 2.043 178.574 176.600 -0.115 0.000 0.985 1022 E CA 0.940 57.349 56.400 0.014 0.000 0.814 1022 E CB -0.037 29.777 29.700 0.189 0.000 0.752 1022 E HN 0.519 nan 8.360 nan 0.000 0.466 1023 Q N 0.960 120.545 119.800 -0.359 0.000 2.046 1023 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 1023 Q C 2.347 178.195 176.000 -0.254 0.000 0.975 1023 Q CA 1.498 56.847 55.803 -0.758 0.000 0.836 1023 Q CB -0.001 28.326 28.738 -0.685 0.000 0.896 1023 Q HN 0.081 nan 8.270 nan 0.000 0.428 1024 R N 0.162 120.586 120.500 -0.127 0.000 2.083 1024 R HA -0.195 4.145 4.340 0.000 0.000 0.237 1024 R C 1.511 177.772 176.300 -0.064 0.000 1.137 1024 R CA 2.082 58.153 56.100 -0.048 0.000 0.951 1024 R CB -0.259 29.977 30.300 -0.106 0.000 0.851 1024 R HN 0.315 nan 8.270 nan 0.000 0.434 1025 D N -0.385 119.948 120.400 -0.111 0.000 2.123 1025 D HA -0.218 4.422 4.640 0.000 0.000 0.196 1025 D C 1.427 177.676 176.300 -0.084 0.000 0.992 1025 D CA 1.342 55.283 54.000 -0.098 0.000 0.833 1025 D CB -0.491 40.279 40.800 -0.051 0.000 0.954 1025 D HN 0.419 nan 8.370 nan 0.000 0.455 1026 W N 0.415 121.536 121.300 -0.300 0.000 2.355 1026 W HA -0.153 4.507 4.660 0.000 0.000 0.309 1026 W C 2.092 178.407 176.519 -0.340 0.000 1.206 1026 W CA 1.173 58.293 57.345 -0.375 0.000 1.284 1026 W CB -0.657 28.382 29.460 -0.702 0.000 1.145 1026 W HN -0.131 nan 8.180 nan 0.000 0.502 1027 F N 0.243 120.148 119.950 -0.075 0.000 2.134 1027 F HA -0.210 4.317 4.527 0.000 0.000 0.299 1027 F C 2.292 177.975 175.800 -0.196 0.000 1.097 1027 F CA 1.745 59.690 58.000 -0.091 0.000 1.264 1027 F CB -0.645 38.387 39.000 0.053 0.000 1.001 1027 F HN -0.189 nan 8.300 nan 0.000 0.479 1028 I N -0.076 120.484 120.570 -0.016 0.000 2.202 1028 I HA -0.315 3.856 4.170 0.000 0.000 0.242 1028 I C 2.477 178.468 176.117 -0.209 0.000 1.091 1028 I CA 1.369 62.611 61.300 -0.097 0.000 1.368 1028 I CB -0.474 37.460 38.000 -0.111 0.000 1.058 1028 I HN 0.061 nan 8.210 nan 0.000 0.410 1029 K N 1.292 121.522 120.400 -0.283 0.000 2.152 1029 K HA -0.184 4.136 4.320 0.000 0.000 0.206 1029 K C 0.914 177.248 176.600 -0.443 0.000 1.048 1029 K CA 1.745 57.834 56.287 -0.330 0.000 0.933 1029 K CB -0.080 32.216 32.500 -0.339 0.000 0.721 1029 K HN 0.305 nan 8.250 nan 0.000 0.447 1030 N N -0.705 117.608 118.700 -0.645 0.000 2.295 1030 N HA 0.128 4.868 4.740 0.000 0.000 0.221 1030 N C 0.017 175.162 175.510 -0.607 0.000 1.129 1030 N CA 0.562 53.186 53.050 -0.710 0.000 0.836 1030 N CB 1.254 39.012 38.487 -1.214 0.000 1.040 1030 N HN 0.392 nan 8.380 nan 0.000 0.494 1031 G N -0.067 108.461 108.800 -0.453 0.000 2.157 1031 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 1031 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 1031 G C -0.237 174.391 174.900 -0.453 0.000 0.979 1031 G CA -0.196 44.643 45.100 -0.435 0.000 0.650 1031 G HN 0.435 nan 8.290 nan 0.000 0.529 1032 H N 0.436 119.473 119.070 -0.056 0.000 2.544 1032 H HA 0.530 5.086 4.556 0.000 0.000 0.342 1032 H C 0.024 175.348 175.328 -0.005 0.000 1.185 1032 H CA -0.364 55.701 56.048 0.027 0.000 1.264 1032 H CB 1.090 30.962 29.762 0.184 0.000 1.607 1032 H HN 0.433 nan 8.280 nan 0.000 0.550 1033 E N 0.979 121.248 120.200 0.116 0.000 2.216 1033 E HA 0.443 4.793 4.350 0.000 0.000 0.279 1033 E C -0.781 175.821 176.600 0.003 0.000 0.997 1033 E CA -0.704 55.715 56.400 0.032 0.000 0.817 1033 E CB 2.099 31.807 29.700 0.013 0.000 1.096 1033 E HN 0.126 nan 8.360 nan 0.000 0.393 1034 V N 1.845 121.748 119.914 -0.018 0.000 2.789 1034 V HA 0.422 4.542 4.120 0.000 0.000 0.311 1034 V C -0.276 175.807 176.094 -0.018 0.000 1.073 1034 V CA -0.850 61.423 62.300 -0.045 0.000 0.921 1034 V CB 2.145 33.941 31.823 -0.046 0.000 1.009 1034 V HN 0.865 nan 8.190 nan 0.000 0.426 1035 T N 2.062 116.608 114.554 -0.014 0.000 2.812 1035 T HA 0.729 5.079 4.350 0.000 0.000 0.282 1035 T C -1.059 173.676 174.700 0.059 0.000 0.990 1035 T CA -0.582 61.533 62.100 0.026 0.000 0.960 1035 T CB 1.541 70.405 68.868 -0.005 0.000 0.948 1035 T HN 0.470 nan 8.240 nan 0.000 0.438 1036 L N 4.379 125.686 121.223 0.141 0.000 2.280 1036 L HA 0.745 5.085 4.340 0.000 0.000 0.287 1036 L C -1.121 175.881 176.870 0.220 0.000 1.023 1036 L CA -0.544 54.414 54.840 0.196 0.000 0.819 1036 L CB 1.043 43.284 42.059 0.302 0.000 1.212 1036 L HN 0.684 nan 8.230 nan 0.000 0.420 1037 V N 5.986 126.031 119.914 0.218 0.000 2.628 1037 V HA 0.586 4.706 4.120 0.000 0.000 0.306 1037 V C -0.962 175.403 176.094 0.453 0.000 1.045 1037 V CA -0.597 61.831 62.300 0.214 0.000 0.905 1037 V CB 1.545 33.358 31.823 -0.017 0.000 0.997 1037 V HN 0.709 nan 8.190 nan 0.000 0.436 1038 Y N 1.726 122.171 120.300 0.240 0.000 2.504 1038 Y HA 0.888 5.438 4.550 0.000 0.000 0.344 1038 Y C -0.172 175.879 175.900 0.253 0.000 1.023 1038 Y CA -1.510 56.739 58.100 0.248 0.000 1.020 1038 Y CB 1.342 39.855 38.460 0.088 0.000 1.282 1038 Y HN 0.752 nan 8.280 nan 0.000 0.454 1039 A N 3.636 126.646 122.820 0.318 0.000 2.409 1039 A HA 0.371 4.691 4.320 0.000 0.000 0.267 1039 A C 0.548 178.246 177.584 0.190 0.000 1.127 1039 A CA -0.487 51.669 52.037 0.199 0.000 0.795 1039 A CB 0.155 19.265 19.000 0.183 0.000 1.061 1039 A HN 0.906 nan 8.150 nan 0.000 0.502 1040 K N 1.494 121.940 120.400 0.078 0.000 2.397 1040 K HA 0.137 4.457 4.320 0.000 0.000 0.202 1040 K C -0.454 176.210 176.600 0.107 0.000 1.022 1040 K CA 0.432 56.805 56.287 0.143 0.000 1.141 1040 K CB 0.126 32.659 32.500 0.055 0.000 0.857 1040 K HN 0.553 nan 8.250 nan 0.000 0.514 1041 D N 1.816 122.270 120.400 0.090 0.000 2.190 1041 D HA -0.179 4.461 4.640 0.000 0.000 0.200 1041 D C 0.225 176.539 176.300 0.022 0.000 0.992 1041 D CA 1.449 55.481 54.000 0.055 0.000 0.854 1041 D CB 0.179 41.014 40.800 0.059 0.000 0.936 1041 D HN 0.275 nan 8.370 nan 0.000 0.462 1042 K N 0.170 120.586 120.400 0.028 0.000 2.324 1042 K HA 0.401 4.721 4.320 0.000 0.000 0.253 1042 K C -0.978 175.524 176.600 -0.164 0.000 0.932 1042 K CA -0.669 55.546 56.287 -0.121 0.000 0.799 1042 K CB 1.547 33.936 32.500 -0.186 0.000 1.154 1042 K HN 0.028 nan 8.250 nan 0.000 0.425 1043 S N 2.408 117.936 115.700 -0.287 0.000 2.651 1043 S HA 0.669 5.139 4.470 0.000 0.000 0.291 1043 S C -0.639 173.666 174.600 -0.492 0.000 1.141 1043 S CA -0.691 57.410 58.200 -0.166 0.000 1.027 1043 S CB 0.633 63.806 63.200 -0.046 0.000 1.043 1043 S HN 0.366 nan 8.310 nan 0.000 0.530 1044 F N -0.377 119.575 119.950 0.002 0.000 2.588 1044 F HA 0.454 4.982 4.527 0.000 0.000 0.314 1044 F C 1.659 177.446 175.800 -0.023 0.000 1.069 1044 F CA -1.043 56.946 58.000 -0.018 0.000 0.931 1044 F CB 1.500 40.478 39.000 -0.037 0.000 1.260 1044 F HN 0.638 nan 8.300 nan 0.000 0.465 1045 T N -0.212 114.428 114.554 0.144 0.000 2.684 1045 T HA -0.173 4.177 4.350 0.000 0.000 0.267 1045 T C 1.450 176.175 174.700 0.042 0.000 1.036 1045 T CA 1.500 63.638 62.100 0.062 0.000 1.148 1045 T CB -0.235 68.652 68.868 0.032 0.000 0.863 1045 T HN 0.423 nan 8.240 nan 0.000 0.436 1046 R N 1.787 122.309 120.500 0.036 0.000 2.547 1046 R HA 0.130 4.470 4.340 0.000 0.000 0.258 1046 R C 2.168 178.460 176.300 -0.013 0.000 1.115 1046 R CA 0.439 56.519 56.100 -0.033 0.000 1.152 1046 R CB -0.468 29.774 30.300 -0.097 0.000 1.221 1046 R HN 0.537 nan 8.270 nan 0.000 0.539 1047 T N -2.869 111.709 114.554 0.040 0.000 2.849 1047 T HA -0.112 4.239 4.350 0.000 0.000 0.270 1047 T C 1.727 176.502 174.700 0.126 0.000 1.066 1047 T CA 1.400 63.534 62.100 0.057 0.000 1.130 1047 T CB -0.012 68.917 68.868 0.102 0.000 0.864 1047 T HN 0.039 nan 8.240 nan 0.000 0.481 1048 S N 1.292 117.025 115.700 0.054 0.000 2.575 1048 S HA 0.111 4.582 4.470 0.000 0.000 0.215 1048 S C 2.246 176.831 174.600 -0.024 0.000 0.966 1048 S CA 0.401 58.617 58.200 0.028 0.000 0.911 1048 S CB -0.163 63.035 63.200 -0.003 0.000 0.780 1048 S HN 0.839 nan 8.310 nan 0.000 0.514 1049 S N 1.407 117.053 115.700 -0.092 0.000 2.383 1049 S HA -0.114 4.356 4.470 0.000 0.000 0.229 1049 S C 0.377 174.770 174.600 -0.344 0.000 1.030 1049 S CA 0.841 58.879 58.200 -0.271 0.000 1.002 1049 S CB -0.444 62.488 63.200 -0.446 0.000 0.829 1049 S HN 0.607 nan 8.310 nan 0.000 0.467 1050 H N 0.544 119.615 119.070 0.002 0.000 2.499 1050 H HA 0.580 5.136 4.556 0.000 0.000 0.340 1050 H C -1.091 174.300 175.328 0.105 0.000 1.148 1050 H CA -0.739 55.336 56.048 0.045 0.000 1.215 1050 H CB 0.895 30.661 29.762 0.007 0.000 1.529 1050 H HN 0.080 nan 8.280 nan 0.000 0.510 1051 D N 1.600 122.125 120.400 0.208 0.000 2.435 1051 D HA -0.011 4.629 4.640 0.000 0.000 0.230 1051 D C 0.499 176.843 176.300 0.074 0.000 1.215 1051 D CA 0.128 54.189 54.000 0.103 0.000 0.947 1051 D CB -0.030 40.848 40.800 0.129 0.000 1.048 1051 D HN 0.771 nan 8.370 nan 0.000 0.512 1052 H N 1.708 120.635 119.070 -0.238 0.000 3.400 1052 H HA 0.182 4.738 4.556 0.000 0.000 0.251 1052 H C 0.927 175.713 175.328 -0.904 0.000 1.040 1052 H CA -0.215 55.344 56.048 -0.815 0.000 1.175 1052 H CB 0.187 29.635 29.762 -0.524 0.000 1.487 1052 H HN 0.155 nan 8.280 nan 0.000 0.505 1053 K N 1.689 121.478 120.400 -1.018 0.000 2.218 1053 K HA -0.124 4.196 4.320 0.000 0.000 0.205 1053 K C 2.032 178.441 176.600 -0.318 0.000 1.046 1053 K CA 1.811 57.739 56.287 -0.599 0.000 0.933 1053 K CB -0.001 32.227 32.500 -0.453 0.000 0.728 1053 K HN 0.372 nan 8.250 nan 0.000 0.454 1054 S N 0.092 115.628 115.700 -0.273 0.000 2.561 1054 S HA -0.050 4.420 4.470 0.000 0.000 0.225 1054 S C 1.322 175.982 174.600 0.100 0.000 0.977 1054 S CA 0.262 58.441 58.200 -0.034 0.000 0.926 1054 S CB -0.368 62.883 63.200 0.085 0.000 0.769 1054 S HN 0.488 nan 8.310 nan 0.000 0.533 1055 F N 0.287 120.267 119.950 0.050 0.000 2.938 1055 F HA 0.476 5.004 4.527 0.000 0.000 0.370 1055 F C 0.331 176.197 175.800 0.111 0.000 0.981 1055 F CA -0.478 57.562 58.000 0.066 0.000 1.108 1055 F CB -0.306 38.725 39.000 0.053 0.000 1.086 1055 F HN 0.176 nan 8.300 nan 0.000 0.569 1056 S N 2.171 117.826 115.700 -0.075 0.000 2.585 1056 S HA 0.587 5.057 4.470 0.000 0.000 0.273 1056 S C -0.428 174.301 174.600 0.216 0.000 1.339 1056 S CA -0.353 57.966 58.200 0.198 0.000 1.028 1056 S CB 1.174 64.573 63.200 0.331 0.000 0.906 1056 S HN 0.282 nan 8.310 nan 0.000 0.528 1057 I N 3.401 124.088 120.570 0.195 0.000 2.420 1057 I HA 0.365 4.535 4.170 0.000 0.000 0.282 1057 I C -2.360 173.635 176.117 -0.203 0.000 1.019 1057 I CA -2.418 58.896 61.300 0.024 0.000 1.130 1057 I CB 2.224 40.229 38.000 0.008 0.000 1.262 1057 I HN 0.509 nan 8.210 nan 0.000 0.454 1058 P HA 0.267 nan 4.420 nan 0.000 0.282 1058 P C -0.986 176.111 177.300 -0.338 0.000 1.249 1058 P CA -0.395 62.238 63.100 -0.779 0.000 0.806 1058 P CB 2.788 34.116 31.700 -0.621 0.000 0.984 1059 V N 4.459 124.214 119.914 -0.264 0.000 2.851 1059 V HA 0.363 4.483 4.120 0.000 0.000 0.307 1059 V C -0.639 175.439 176.094 -0.026 0.000 1.129 1059 V CA -0.975 61.264 62.300 -0.102 0.000 0.932 1059 V CB 1.914 33.694 31.823 -0.072 0.000 1.024 1059 V HN 0.325 nan 8.190 nan 0.000 0.426 1060 I N 7.422 127.992 120.570 0.001 0.000 2.291 1060 I HA 0.156 4.326 4.170 0.000 0.000 0.292 1060 I C 0.888 177.052 176.117 0.079 0.000 1.064 1060 I CA -0.372 60.952 61.300 0.040 0.000 1.269 1060 I CB 1.386 39.404 38.000 0.030 0.000 1.418 1060 I HN 0.588 nan 8.210 nan 0.000 0.485 1061 L N 5.689 126.985 121.223 0.121 0.000 2.079 1061 L HA -0.199 4.142 4.340 0.000 0.000 0.210 1061 L C 2.590 179.553 176.870 0.154 0.000 1.081 1061 L CA 1.979 56.923 54.840 0.175 0.000 0.752 1061 L CB -0.865 41.330 42.059 0.227 0.000 0.896 1061 L HN 0.754 nan 8.230 nan 0.000 0.433 1062 A N 0.187 123.073 122.820 0.108 0.000 1.902 1062 A HA -0.227 4.093 4.320 0.000 0.000 0.217 1062 A C 2.104 179.734 177.584 0.076 0.000 1.181 1062 A CA 2.183 54.270 52.037 0.083 0.000 0.623 1062 A CB -0.361 18.674 19.000 0.058 0.000 0.818 1062 A HN 0.578 nan 8.150 nan 0.000 0.443 1063 K N -1.260 119.183 120.400 0.072 0.000 2.447 1063 K HA 0.287 4.607 4.320 0.000 0.000 0.205 1063 K C -0.185 176.458 176.600 0.072 0.000 1.059 1063 K CA 0.179 56.504 56.287 0.063 0.000 1.065 1063 K CB 0.504 33.028 32.500 0.041 0.000 0.885 1063 K HN 0.329 nan 8.250 nan 0.000 0.545 1064 E N 0.713 120.965 120.200 0.087 0.000 3.385 1064 E HA 0.038 4.388 4.350 0.000 0.000 0.206 1064 E C -0.439 176.213 176.600 0.087 0.000 0.997 1064 E CA -0.385 56.055 56.400 0.067 0.000 1.278 1064 E CB 0.205 29.919 29.700 0.024 0.000 1.165 1064 E HN 0.290 nan 8.360 nan 0.000 0.452 1065 Y N 1.790 122.100 120.300 0.018 0.000 2.151 1065 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 1065 Y C 1.265 177.164 175.900 -0.002 0.000 1.166 1065 Y CA 2.299 60.410 58.100 0.019 0.000 1.163 1065 Y CB 0.204 38.677 38.460 0.021 0.000 0.974 1065 Y HN 0.100 nan 8.280 nan 0.000 0.511 1066 D N 0.012 120.395 120.400 -0.028 0.000 2.123 1066 D HA -0.202 4.438 4.640 0.000 0.000 0.196 1066 D C 2.104 178.303 176.300 -0.169 0.000 0.992 1066 D CA 1.827 55.750 54.000 -0.127 0.000 0.833 1066 D CB -0.221 40.583 40.800 0.008 0.000 0.954 1066 D HN 0.361 nan 8.370 nan 0.000 0.455 1067 K N 0.449 120.784 120.400 -0.108 0.000 2.057 1067 K HA -0.086 4.234 4.320 0.000 0.000 0.207 1067 K C 2.010 178.512 176.600 -0.163 0.000 1.049 1067 K CA 1.207 57.429 56.287 -0.108 0.000 0.931 1067 K CB -0.065 32.393 32.500 -0.069 0.000 0.714 1067 K HN 0.102 nan 8.250 nan 0.000 0.440 1068 A N 1.313 124.021 122.820 -0.187 0.000 1.898 1068 A HA -0.138 4.183 4.320 0.000 0.000 0.216 1068 A C 2.039 179.433 177.584 -0.318 0.000 1.181 1068 A CA 1.214 53.109 52.037 -0.237 0.000 0.620 1068 A CB -0.615 18.299 19.000 -0.143 0.000 0.819 1068 A HN 0.375 nan 8.150 nan 0.000 0.442 1069 L N 0.027 120.999 121.223 -0.419 0.000 2.017 1069 L HA -0.154 4.186 4.340 0.000 0.000 0.208 1069 L C 2.224 178.941 176.870 -0.256 0.000 1.073 1069 L CA 2.224 56.816 54.840 -0.413 0.000 0.745 1069 L CB -0.504 41.189 42.059 -0.610 0.000 0.894 1069 L HN 0.349 nan 8.230 nan 0.000 0.432 1070 K N -0.921 119.351 120.400 -0.213 0.000 2.147 1070 K HA -0.137 4.183 4.320 0.000 0.000 0.205 1070 K C 2.062 178.576 176.600 -0.143 0.000 1.049 1070 K CA 1.413 57.612 56.287 -0.146 0.000 0.936 1070 K CB -0.251 32.181 32.500 -0.113 0.000 0.722 1070 K HN 0.342 nan 8.250 nan 0.000 0.446 1071 L N 0.641 121.758 121.223 -0.177 0.000 1.988 1071 L HA -0.169 4.171 4.340 0.000 0.000 0.207 1071 L C 2.473 179.227 176.870 -0.193 0.000 1.071 1071 L CA 1.085 55.817 54.840 -0.179 0.000 0.744 1071 L CB -0.753 41.173 42.059 -0.222 0.000 0.893 1071 L HN 0.073 nan 8.230 nan 0.000 0.433 1072 V N -3.141 116.619 119.914 -0.256 0.000 2.720 1072 V HA -0.150 3.970 4.120 0.000 0.000 0.256 1072 V C 1.761 177.778 176.094 -0.129 0.000 1.082 1072 V CA 1.795 63.964 62.300 -0.218 0.000 1.101 1072 V CB -0.739 30.935 31.823 -0.249 0.000 0.693 1072 V HN 0.460 nan 8.190 nan 0.000 0.479 1073 N N 0.537 119.163 118.700 -0.123 0.000 2.353 1073 N HA 0.009 4.749 4.740 0.000 0.000 0.185 1073 N C 0.582 176.049 175.510 -0.071 0.000 1.098 1073 N CA 0.893 53.892 53.050 -0.086 0.000 0.872 1073 N CB 0.075 38.512 38.487 -0.084 0.000 0.970 1073 N HN 0.630 nan 8.380 nan 0.000 0.467 1074 D N 0.936 121.289 120.400 -0.079 0.000 3.072 1074 D HA 0.102 4.742 4.640 0.000 0.000 0.250 1074 D C -0.297 175.970 176.300 -0.055 0.000 1.304 1074 D CA -0.341 53.622 54.000 -0.062 0.000 0.861 1074 D CB -0.452 40.310 40.800 -0.064 0.000 1.062 1074 D HN 0.232 nan 8.370 nan 0.000 0.481 1075 C N -1.921 117.348 119.300 -0.052 0.000 3.332 1075 C HA 0.561 5.021 4.460 0.000 0.000 0.329 1075 C C 0.760 175.727 174.990 -0.038 0.000 1.434 1075 C CA -0.752 58.237 59.018 -0.049 0.000 1.314 1075 C CB 1.595 29.297 27.740 -0.063 0.000 1.664 1075 C HN 0.082 nan 8.230 nan 0.000 0.457 1076 D N 0.150 120.528 120.400 -0.038 0.000 2.324 1076 D HA 0.279 4.919 4.640 0.000 0.000 0.212 1076 D C 0.152 176.430 176.300 -0.036 0.000 0.984 1076 D CA 1.203 55.187 54.000 -0.027 0.000 0.885 1076 D CB 0.522 41.315 40.800 -0.011 0.000 0.996 1076 D HN 0.606 nan 8.370 nan 0.000 0.505 1077 I N 1.624 122.159 120.570 -0.058 0.000 2.478 1077 I HA 0.199 4.369 4.170 0.000 0.000 0.287 1077 I C -1.215 174.872 176.117 -0.050 0.000 1.042 1077 I CA -0.939 60.328 61.300 -0.056 0.000 1.067 1077 I CB 2.813 40.761 38.000 -0.087 0.000 1.233 1077 I HN -0.212 nan 8.210 nan 0.000 0.431 1078 L N 8.346 129.570 121.223 0.001 0.000 2.280 1078 L HA 0.581 4.921 4.340 0.000 0.000 0.287 1078 L C -0.816 176.118 176.870 0.107 0.000 1.023 1078 L CA -0.012 54.853 54.840 0.043 0.000 0.819 1078 L CB 0.912 43.005 42.059 0.056 0.000 1.212 1078 L HN 0.394 nan 8.230 nan 0.000 0.420 1079 I N 6.804 127.457 120.570 0.139 0.000 2.328 1079 I HA 0.336 4.506 4.170 0.000 0.000 0.287 1079 I C -0.448 175.837 176.117 0.279 0.000 1.012 1079 I CA -0.350 61.089 61.300 0.232 0.000 1.195 1079 I CB 1.128 39.273 38.000 0.242 0.000 1.350 1079 I HN 0.503 nan 8.210 nan 0.000 0.464 1080 I N 6.528 127.266 120.570 0.279 0.000 2.306 1080 I HA 0.218 4.389 4.170 0.000 0.000 0.288 1080 I C 0.749 176.999 176.117 0.221 0.000 1.036 1080 I CA -0.224 61.219 61.300 0.237 0.000 1.221 1080 I CB 0.680 38.811 38.000 0.218 0.000 1.385 1080 I HN 0.559 nan 8.210 nan 0.000 0.472 1081 N N 3.577 122.389 118.700 0.187 0.000 2.325 1081 N HA 0.043 4.783 4.740 0.000 0.000 0.182 1081 N C 0.016 175.588 175.510 0.103 0.000 1.088 1081 N CA 0.202 53.379 53.050 0.212 0.000 0.879 1081 N CB 0.576 39.180 38.487 0.195 0.000 0.983 1081 N HN 0.713 nan 8.380 nan 0.000 0.471 1082 S N -1.129 114.561 115.700 -0.016 0.000 2.567 1082 S HA 0.582 5.052 4.470 0.000 0.000 0.270 1082 S C -0.697 173.781 174.600 -0.202 0.000 1.152 1082 S CA -0.909 57.240 58.200 -0.085 0.000 0.835 1082 S CB 1.666 64.793 63.200 -0.122 0.000 1.115 1082 S HN -0.071 nan 8.310 nan 0.000 0.459 1083 V N -2.487 117.304 119.914 -0.204 0.000 3.046 1083 V HA 0.863 4.984 4.120 0.000 0.000 0.316 1083 V C -3.186 172.714 176.094 -0.323 0.000 1.104 1083 V CA -3.029 59.036 62.300 -0.391 0.000 1.006 1083 V CB 0.939 32.607 31.823 -0.258 0.000 1.058 1083 V HN 0.740 nan 8.190 nan 0.000 0.440 1084 P HA 0.238 nan 4.420 nan 0.000 0.265 1084 P C -0.181 177.075 177.300 -0.074 0.000 1.187 1084 P CA 0.699 63.673 63.100 -0.210 0.000 0.766 1084 P CB 0.220 31.790 31.700 -0.216 0.000 0.820 1085 A N 2.631 125.452 122.820 0.001 0.000 2.332 1085 A HA 0.285 4.606 4.320 0.000 0.000 0.258 1085 A C 1.500 179.102 177.584 0.030 0.000 1.087 1085 A CA 0.213 52.274 52.037 0.041 0.000 0.802 1085 A CB -0.454 18.596 19.000 0.084 0.000 1.042 1085 A HN 0.640 nan 8.150 nan 0.000 0.489 1086 T N -1.450 113.129 114.554 0.042 0.000 3.155 1086 T HA -0.080 4.271 4.350 0.000 0.000 0.264 1086 T C 1.292 176.010 174.700 0.030 0.000 1.160 1086 T CA 1.281 63.405 62.100 0.040 0.000 1.075 1086 T CB -0.536 68.361 68.868 0.049 0.000 0.921 1086 T HN 0.960 nan 8.240 nan 0.000 0.533 1087 S N 0.832 116.546 115.700 0.023 0.000 2.524 1087 S HA 0.234 4.705 4.470 0.000 0.000 0.216 1087 S C 0.925 175.527 174.600 0.004 0.000 0.987 1087 S CA -0.123 58.082 58.200 0.010 0.000 0.909 1087 S CB -0.752 62.445 63.200 -0.004 0.000 0.781 1087 S HN 0.644 nan 8.310 nan 0.000 0.521 1088 V N 0.065 119.984 119.914 0.009 0.000 3.237 1088 V HA 0.334 4.454 4.120 0.000 0.000 0.305 1088 V C 0.066 176.171 176.094 0.018 0.000 1.096 1088 V CA -0.920 61.387 62.300 0.011 0.000 1.130 1088 V CB 0.179 32.014 31.823 0.019 0.000 1.048 1088 V HN 0.439 nan 8.190 nan 0.000 0.484 1089 Q N 0.606 120.418 119.800 0.020 0.000 2.382 1089 Q HA 0.219 4.559 4.340 0.000 0.000 0.229 1089 Q C 1.010 177.028 176.000 0.030 0.000 1.006 1089 Q CA -0.606 55.209 55.803 0.022 0.000 0.916 1089 Q CB 0.811 29.561 28.738 0.019 0.000 1.235 1089 Q HN 0.765 nan 8.270 nan 0.000 0.512 1090 E N 0.892 121.108 120.200 0.027 0.000 2.130 1090 E HA -0.249 4.101 4.350 0.000 0.000 0.196 1090 E C 1.787 178.409 176.600 0.036 0.000 0.998 1090 E CA 1.594 58.011 56.400 0.030 0.000 0.806 1090 E CB -0.280 29.432 29.700 0.020 0.000 0.738 1090 E HN 0.729 nan 8.360 nan 0.000 0.459 1091 A N 0.707 123.547 122.820 0.033 0.000 1.940 1091 A HA -0.180 4.140 4.320 0.000 0.000 0.219 1091 A C 2.457 180.081 177.584 0.066 0.000 1.176 1091 A CA 2.120 54.179 52.037 0.038 0.000 0.631 1091 A CB -0.804 18.216 19.000 0.033 0.000 0.814 1091 A HN 0.256 nan 8.150 nan 0.000 0.446 1092 T N -0.146 114.452 114.554 0.073 0.000 2.701 1092 T HA -0.116 4.235 4.350 0.000 0.000 0.263 1092 T C 1.851 176.634 174.700 0.139 0.000 1.040 1092 T CA 1.536 63.697 62.100 0.102 0.000 1.147 1092 T CB -0.317 68.595 68.868 0.073 0.000 0.865 1092 T HN 0.389 nan 8.240 nan 0.000 0.426 1093 I N 1.799 122.436 120.570 0.111 0.000 2.394 1093 I HA -0.063 4.107 4.170 0.000 0.000 0.251 1093 I C 1.813 178.028 176.117 0.162 0.000 1.136 1093 I CA 1.118 62.507 61.300 0.148 0.000 1.425 1093 I CB -0.656 37.403 38.000 0.098 0.000 1.079 1093 I HN 0.232 nan 8.210 nan 0.000 0.425 1094 N N 0.507 119.266 118.700 0.098 0.000 2.069 1094 N HA -0.199 4.541 4.740 0.000 0.000 0.191 1094 N C 1.380 176.924 175.510 0.056 0.000 1.031 1094 N CA 1.448 54.532 53.050 0.056 0.000 0.852 1094 N CB -0.220 38.276 38.487 0.016 0.000 1.018 1094 N HN 0.381 nan 8.380 nan 0.000 0.423 1095 N N 0.261 119.018 118.700 0.095 0.000 2.331 1095 N HA -0.134 4.606 4.740 0.000 0.000 0.180 1095 N C 1.395 177.069 175.510 0.274 0.000 1.019 1095 N CA 0.553 53.688 53.050 0.142 0.000 0.881 1095 N CB -0.351 38.268 38.487 0.220 0.000 0.972 1095 N HN 0.411 nan 8.380 nan 0.000 0.435 1096 Y N 2.022 122.418 120.300 0.161 0.000 2.145 1096 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 1096 Y C 2.042 178.029 175.900 0.145 0.000 1.145 1096 Y CA 1.629 59.833 58.100 0.173 0.000 1.148 1096 Y CB 0.054 38.583 38.460 0.115 0.000 0.981 1096 Y HN -0.101 nan 8.280 nan 0.000 0.507 1097 K N 0.291 120.696 120.400 0.007 0.000 2.147 1097 K HA -0.208 4.112 4.320 0.000 0.000 0.205 1097 K C 2.179 178.735 176.600 -0.074 0.000 1.049 1097 K CA 1.536 57.770 56.287 -0.088 0.000 0.936 1097 K CB -0.154 32.356 32.500 0.017 0.000 0.722 1097 K HN 0.266 nan 8.250 nan 0.000 0.446 1098 K N 1.195 121.595 120.400 -0.000 0.000 2.097 1098 K HA -0.086 4.235 4.320 0.000 0.000 0.205 1098 K C 2.055 178.746 176.600 0.152 0.000 1.050 1098 K CA 0.834 57.139 56.287 0.030 0.000 0.938 1098 K CB 0.017 32.455 32.500 -0.104 0.000 0.718 1098 K HN 0.066 nan 8.250 nan 0.000 0.442 1099 L N 0.920 122.253 121.223 0.183 0.000 2.017 1099 L HA -0.223 4.117 4.340 0.000 0.000 0.208 1099 L C 2.348 179.195 176.870 -0.039 0.000 1.073 1099 L CA 1.116 56.009 54.840 0.088 0.000 0.745 1099 L CB -0.411 41.668 42.059 0.034 0.000 0.894 1099 L HN 0.219 nan 8.230 nan 0.000 0.432 1100 L N -0.445 120.684 121.223 -0.156 0.000 2.042 1100 L HA -0.265 4.075 4.340 0.000 0.000 0.210 1100 L C 2.109 178.942 176.870 -0.062 0.000 1.076 1100 L CA 1.195 55.950 54.840 -0.141 0.000 0.749 1100 L CB -0.670 41.259 42.059 -0.218 0.000 0.893 1100 L HN 0.320 nan 8.230 nan 0.000 0.432 1101 D N -0.292 120.084 120.400 -0.041 0.000 2.224 1101 D HA -0.104 4.536 4.640 0.000 0.000 0.205 1101 D C 1.226 177.529 176.300 0.004 0.000 0.965 1101 D CA 0.966 54.956 54.000 -0.016 0.000 0.852 1101 D CB -0.235 40.557 40.800 -0.012 0.000 0.947 1101 D HN 0.352 nan 8.370 nan 0.000 0.494 1102 N N -0.382 118.333 118.700 0.025 0.000 2.238 1102 N HA 0.202 4.942 4.740 0.000 0.000 0.222 1102 N C -0.116 175.393 175.510 -0.002 0.000 1.133 1102 N CA -0.097 52.972 53.050 0.031 0.000 0.854 1102 N CB 0.856 39.399 38.487 0.094 0.000 1.041 1102 N HN 0.129 nan 8.380 nan 0.000 0.510 1103 I N 1.128 121.689 120.570 -0.015 0.000 2.474 1103 I HA 0.046 4.216 4.170 0.000 0.000 0.287 1103 I C 0.512 176.618 176.117 -0.019 0.000 1.048 1103 I CA -0.588 60.696 61.300 -0.026 0.000 1.383 1103 I CB 0.788 38.774 38.000 -0.023 0.000 1.412 1103 I HN -0.077 nan 8.210 nan 0.000 0.531 1104 K N 7.118 127.505 120.400 -0.022 0.000 2.530 1104 K HA -0.050 4.270 4.320 0.000 0.000 0.280 1104 K C -1.627 174.966 176.600 -0.012 0.000 1.004 1104 K CA -0.725 55.553 56.287 -0.016 0.000 1.071 1104 K CB 0.169 32.658 32.500 -0.019 0.000 0.876 1104 K HN 0.333 nan 8.250 nan 0.000 0.487 1105 P HA -0.186 nan 4.420 nan 0.000 0.221 1105 P C 0.947 178.243 177.300 -0.007 0.000 1.145 1105 P CA 1.163 64.259 63.100 -0.007 0.000 0.795 1105 P CB 0.221 31.918 31.700 -0.006 0.000 0.775 1106 S N -1.542 114.153 115.700 -0.009 0.000 2.489 1106 S HA 0.008 4.478 4.470 0.000 0.000 0.228 1106 S C 0.927 175.521 174.600 -0.010 0.000 0.995 1106 S CA 0.115 58.310 58.200 -0.009 0.000 0.934 1106 S CB -1.015 62.180 63.200 -0.008 0.000 0.771 1106 S HN 0.044 nan 8.310 nan 0.000 0.522 1107 I N 2.659 123.222 120.570 -0.012 0.000 2.618 1107 I HA 0.112 4.282 4.170 0.000 0.000 0.284 1107 I C 0.822 176.934 176.117 -0.008 0.000 1.146 1107 I CA -0.200 61.093 61.300 -0.013 0.000 1.425 1107 I CB 0.497 38.488 38.000 -0.015 0.000 1.383 1107 I HN 0.166 nan 8.210 nan 0.000 0.562 1108 R N 6.131 126.624 120.500 -0.011 0.000 2.242 1108 R HA 0.345 4.686 4.340 0.000 0.000 0.334 1108 R C -1.257 175.048 176.300 0.009 0.000 1.071 1108 R CA -0.381 55.714 56.100 -0.008 0.000 0.922 1108 R CB 0.541 30.828 30.300 -0.021 0.000 1.023 1108 R HN 0.446 nan 8.270 nan 0.000 0.458 1109 V N 6.157 126.082 119.914 0.019 0.000 2.383 1109 V HA 0.241 4.362 4.120 0.000 0.000 0.275 1109 V C -0.225 175.901 176.094 0.053 0.000 1.036 1109 V CA -0.604 61.724 62.300 0.047 0.000 0.889 1109 V CB 1.545 33.397 31.823 0.048 0.000 0.985 1109 V HN 0.488 nan 8.190 nan 0.000 0.459 1110 V N 6.076 126.045 119.914 0.092 0.000 2.384 1110 V HA 0.450 4.570 4.120 0.000 0.000 0.287 1110 V C -0.144 176.031 176.094 0.134 0.000 1.020 1110 V CA -0.577 61.783 62.300 0.101 0.000 0.850 1110 V CB 1.843 33.776 31.823 0.183 0.000 0.987 1110 V HN 0.589 nan 8.190 nan 0.000 0.436 1111 V N 5.578 125.523 119.914 0.052 0.000 2.384 1111 V HA 0.450 4.570 4.120 0.000 0.000 0.287 1111 V C -1.001 175.054 176.094 -0.066 0.000 1.020 1111 V CA -0.684 61.656 62.300 0.066 0.000 0.850 1111 V CB 1.424 33.291 31.823 0.072 0.000 0.987 1111 V HN 0.745 nan 8.190 nan 0.000 0.436 1112 Y N 3.002 123.245 120.300 -0.094 0.000 2.331 1112 Y HA 0.510 5.060 4.550 0.000 0.000 0.338 1112 Y C 0.313 175.941 175.900 -0.453 0.000 0.976 1112 Y CA -0.471 57.360 58.100 -0.448 0.000 1.137 1112 Y CB 1.765 39.803 38.460 -0.703 0.000 1.172 1112 Y HN 0.579 nan 8.280 nan 0.000 0.478 1113 Q N 2.976 122.519 119.800 -0.429 0.000 2.360 1113 Q HA 0.189 4.529 4.340 0.000 0.000 0.254 1113 Q C -0.092 175.697 176.000 -0.351 0.000 0.975 1113 Q CA 0.124 55.660 55.803 -0.444 0.000 0.912 1113 Q CB 0.318 28.462 28.738 -0.991 0.000 1.212 1113 Q HN 0.702 nan 8.270 nan 0.000 0.452 1114 H N 1.773 120.785 119.070 -0.097 0.000 2.563 1114 H HA 0.161 4.717 4.556 0.000 0.000 0.264 1114 H C -0.453 174.832 175.328 -0.071 0.000 0.957 1114 H CA 0.182 56.242 56.048 0.020 0.000 1.173 1114 H CB 0.921 30.695 29.762 0.021 0.000 1.420 1114 H HN 0.553 nan 8.280 nan 0.000 0.551 1115 D N -0.234 120.131 120.400 -0.059 0.000 2.312 1115 D HA 0.090 4.731 4.640 0.000 0.000 0.248 1115 D C 1.037 177.157 176.300 -0.300 0.000 1.086 1115 D CA -0.150 53.738 54.000 -0.186 0.000 0.948 1115 D CB 1.443 42.220 40.800 -0.038 0.000 1.162 1115 D HN 0.279 nan 8.370 nan 0.000 0.446 1116 H N -0.086 118.894 119.070 -0.149 0.000 2.320 1116 H HA 0.043 4.599 4.556 0.000 0.000 0.321 1116 H C 0.709 175.796 175.328 -0.402 0.000 1.141 1116 H CA 0.198 56.004 56.048 -0.403 0.000 1.670 1116 H CB -0.653 28.530 29.762 -0.965 0.000 1.515 1116 H HN 0.287 nan 8.280 nan 0.000 0.638 1117 S N 1.273 116.725 115.700 -0.414 0.000 2.558 1117 S HA -0.025 4.445 4.470 0.000 0.000 0.288 1117 S C 1.644 176.272 174.600 0.047 0.000 1.318 1117 S CA 0.138 58.247 58.200 -0.151 0.000 1.056 1117 S CB 0.774 63.899 63.200 -0.125 0.000 0.853 1117 S HN 0.232 nan 8.310 nan 0.000 0.505 1118 V N 6.627 126.612 119.914 0.118 0.000 2.594 1118 V HA -0.116 4.005 4.120 0.000 0.000 0.253 1118 V C 1.895 178.040 176.094 0.086 0.000 1.069 1118 V CA 2.037 64.398 62.300 0.101 0.000 1.082 1118 V CB -0.685 31.188 31.823 0.084 0.000 0.680 1118 V HN 0.891 nan 8.190 nan 0.000 0.469 1119 L N -0.443 120.829 121.223 0.082 0.000 2.079 1119 L HA -0.140 4.200 4.340 0.000 0.000 0.210 1119 L C 2.609 179.532 176.870 0.088 0.000 1.081 1119 L CA 1.961 56.852 54.840 0.084 0.000 0.752 1119 L CB -0.656 41.458 42.059 0.092 0.000 0.896 1119 L HN 0.315 nan 8.230 nan 0.000 0.433 1120 S N -0.451 115.300 115.700 0.084 0.000 2.421 1120 S HA 0.058 4.528 4.470 0.000 0.000 0.224 1120 S C 1.935 176.590 174.600 0.092 0.000 1.035 1120 S CA 0.456 58.708 58.200 0.088 0.000 0.953 1120 S CB 0.005 63.254 63.200 0.083 0.000 0.810 1120 S HN 0.250 nan 8.310 nan 0.000 0.497 1121 L N 1.164 122.447 121.223 0.100 0.000 2.131 1121 L HA -0.052 4.289 4.340 0.000 0.000 0.210 1121 L C 2.452 179.411 176.870 0.148 0.000 1.092 1121 L CA 0.882 55.805 54.840 0.138 0.000 0.759 1121 L CB -0.327 41.834 42.059 0.170 0.000 0.903 1121 L HN 0.126 nan 8.230 nan 0.000 0.435 1122 R N 0.290 120.861 120.500 0.118 0.000 2.235 1122 R HA -0.007 4.333 4.340 0.000 0.000 0.213 1122 R C 1.536 177.900 176.300 0.107 0.000 1.059 1122 R CA 0.621 56.789 56.100 0.114 0.000 0.997 1122 R CB -0.352 30.002 30.300 0.089 0.000 0.884 1122 R HN 0.370 nan 8.270 nan 0.000 0.462 1123 R N 0.917 121.476 120.500 0.098 0.000 2.541 1123 R HA 0.101 4.441 4.340 0.000 0.000 0.245 1123 R C -0.337 176.012 176.300 0.082 0.000 1.154 1123 R CA 0.010 56.162 56.100 0.086 0.000 1.179 1123 R CB -0.237 30.114 30.300 0.084 0.000 1.189 1123 R HN 0.232 nan 8.270 nan 0.000 0.526 1124 N N -0.057 118.701 118.700 0.097 0.000 2.384 1124 N HA 0.452 5.193 4.740 0.000 0.000 0.301 1124 N C -1.235 174.325 175.510 0.084 0.000 1.133 1124 N CA -0.628 52.472 53.050 0.082 0.000 0.853 1124 N CB 1.884 40.438 38.487 0.113 0.000 1.241 1124 N HN -0.118 nan 8.380 nan 0.000 0.502 1125 L N 0.594 121.845 121.223 0.047 0.000 2.362 1125 L HA 0.518 4.859 4.340 0.000 0.000 0.275 1125 L C 0.862 177.770 176.870 0.064 0.000 0.998 1125 L CA -0.464 54.411 54.840 0.057 0.000 0.820 1125 L CB 1.833 43.916 42.059 0.041 0.000 1.270 1125 L HN 0.906 nan 8.230 nan 0.000 0.415 1126 G N 1.950 110.810 108.800 0.099 0.000 2.162 1126 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 1126 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 1126 G C 0.579 175.553 174.900 0.124 0.000 0.976 1126 G CA 0.548 45.738 45.100 0.150 0.000 0.655 1126 G HN 0.552 nan 8.290 nan 0.000 0.533 1127 L N 1.020 122.294 121.223 0.086 0.000 2.083 1127 L HA 0.156 4.496 4.340 0.000 0.000 0.209 1127 L C 2.456 179.205 176.870 -0.202 0.000 1.083 1127 L CA 3.042 57.935 54.840 0.087 0.000 0.752 1127 L CB -0.425 41.801 42.059 0.279 0.000 0.899 1127 L HN 0.562 nan 8.230 nan 0.000 0.433 1128 E N -0.568 119.336 120.200 -0.494 0.000 2.051 1128 E HA -0.237 4.113 4.350 0.000 0.000 0.192 1128 E C 1.839 178.110 176.600 -0.547 0.000 0.991 1128 E CA 1.488 57.228 56.400 -1.099 0.000 0.799 1128 E CB -0.120 28.945 29.700 -1.058 0.000 0.748 1128 E HN 0.655 nan 8.360 nan 0.000 0.449 1129 E N 0.110 120.150 120.200 -0.266 0.000 2.204 1129 E HA -0.133 4.217 4.350 0.000 0.000 0.194 1129 E C 2.065 178.616 176.600 -0.081 0.000 0.989 1129 E CA 1.307 57.619 56.400 -0.148 0.000 0.824 1129 E CB -0.609 29.040 29.700 -0.085 0.000 0.756 1129 E HN 0.231 nan 8.360 nan 0.000 0.477 1130 T N 1.846 116.387 114.554 -0.022 0.000 2.701 1130 T HA -0.079 4.271 4.350 0.000 0.000 0.263 1130 T C 2.215 176.941 174.700 0.043 0.000 1.040 1130 T CA 1.550 63.687 62.100 0.061 0.000 1.147 1130 T CB -0.344 68.628 68.868 0.173 0.000 0.865 1130 T HN 0.010 nan 8.240 nan 0.000 0.426 1131 V N 1.671 121.595 119.914 0.017 0.000 2.407 1131 V HA -0.188 3.932 4.120 0.000 0.000 0.248 1131 V C 2.607 178.757 176.094 0.093 0.000 1.055 1131 V CA 1.621 63.984 62.300 0.104 0.000 1.049 1131 V CB -0.620 31.309 31.823 0.178 0.000 0.662 1131 V HN 0.401 nan 8.190 nan 0.000 0.455 1132 R N -0.175 120.335 120.500 0.015 0.000 2.120 1132 R HA -0.163 4.177 4.340 0.000 0.000 0.234 1132 R C 2.453 178.777 176.300 0.040 0.000 1.123 1132 R CA 1.438 57.573 56.100 0.058 0.000 0.975 1132 R CB -0.300 29.984 30.300 -0.027 0.000 0.866 1132 R HN 0.316 nan 8.270 nan 0.000 0.446 1133 R N 1.363 121.872 120.500 0.016 0.000 2.200 1133 R HA 0.118 4.458 4.340 0.000 0.000 0.208 1133 R C 0.032 176.346 176.300 0.025 0.000 1.033 1133 R CA 0.615 56.723 56.100 0.012 0.000 1.000 1133 R CB -0.099 30.199 30.300 -0.003 0.000 0.906 1133 R HN 0.118 nan 8.270 nan 0.000 0.462 1134 A N 0.875 123.720 122.820 0.041 0.000 2.540 1134 A HA 0.020 4.340 4.320 0.000 0.000 0.239 1134 A C 0.066 177.658 177.584 0.014 0.000 1.061 1134 A CA 0.402 52.462 52.037 0.038 0.000 0.758 1134 A CB 0.153 19.187 19.000 0.056 0.000 0.991 1134 A HN 0.458 nan 8.150 nan 0.000 0.502 1135 D N 0.386 120.787 120.400 0.002 0.000 2.355 1135 D HA 0.177 4.817 4.640 0.000 0.000 0.206 1135 D C -0.248 176.033 176.300 -0.032 0.000 1.010 1135 D CA 0.966 54.958 54.000 -0.014 0.000 0.875 1135 D CB 0.614 41.406 40.800 -0.014 0.000 0.966 1135 D HN 0.250 nan 8.370 nan 0.000 0.512 1136 V N 1.639 121.524 119.914 -0.049 0.000 2.733 1136 V HA 0.410 4.530 4.120 0.000 0.000 0.306 1136 V C -0.577 175.412 176.094 -0.174 0.000 1.084 1136 V CA -0.728 61.497 62.300 -0.124 0.000 0.905 1136 V CB 2.829 34.545 31.823 -0.178 0.000 1.010 1136 V HN -0.123 nan 8.190 nan 0.000 0.424 1137 I N 4.235 124.664 120.570 -0.235 0.000 2.498 1137 I HA 0.596 4.766 4.170 0.000 0.000 0.290 1137 I C -1.234 174.661 176.117 -0.370 0.000 1.032 1137 I CA -0.286 60.897 61.300 -0.195 0.000 1.073 1137 I CB 2.042 40.054 38.000 0.020 0.000 1.251 1137 I HN 0.412 nan 8.210 nan 0.000 0.426 1138 F N 3.388 123.156 119.950 -0.305 0.000 2.546 1138 F HA 0.676 5.204 4.527 0.000 0.000 0.320 1138 F C 0.332 176.011 175.800 -0.201 0.000 1.076 1138 F CA -0.457 57.359 58.000 -0.306 0.000 0.928 1138 F CB 2.316 40.786 39.000 -0.882 0.000 1.189 1138 F HN 0.462 nan 8.300 nan 0.000 0.465 1139 S N 0.043 115.933 115.700 0.316 0.000 2.618 1139 S HA 0.389 4.859 4.470 0.000 0.000 0.277 1139 S C -0.187 174.578 174.600 0.275 0.000 1.138 1139 S CA -0.769 57.566 58.200 0.226 0.000 0.844 1139 S CB 1.460 64.820 63.200 0.267 0.000 1.127 1139 S HN 0.683 nan 8.310 nan 0.000 0.474 1140 H N 0.476 119.641 119.070 0.158 0.000 2.529 1140 H HA 0.359 4.915 4.556 0.000 0.000 0.277 1140 H C 0.406 175.765 175.328 0.052 0.000 0.999 1140 H CA 1.206 57.226 56.048 -0.047 0.000 1.256 1140 H CB 0.386 30.141 29.762 -0.011 0.000 1.402 1140 H HN 0.615 nan 8.280 nan 0.000 0.566 1141 S N -0.115 115.728 115.700 0.238 0.000 2.543 1141 S HA 0.120 4.590 4.470 0.000 0.000 0.273 1141 S C -0.040 174.643 174.600 0.138 0.000 1.152 1141 S CA -0.828 57.471 58.200 0.164 0.000 0.910 1141 S CB 1.331 64.626 63.200 0.157 0.000 1.105 1141 S HN 0.008 nan 8.310 nan 0.000 0.465 1142 D N 2.468 122.918 120.400 0.083 0.000 2.263 1142 D HA -0.033 4.607 4.640 0.000 0.000 0.208 1142 D C 0.822 177.136 176.300 0.024 0.000 0.971 1142 D CA 0.878 54.907 54.000 0.048 0.000 0.867 1142 D CB 0.047 40.858 40.800 0.017 0.000 0.929 1142 D HN 0.516 nan 8.370 nan 0.000 0.492 1143 N N 0.373 119.082 118.700 0.015 0.000 2.230 1143 N HA 0.074 4.814 4.740 0.000 0.000 0.202 1143 N C 1.005 176.488 175.510 -0.045 0.000 1.119 1143 N CA -0.021 53.011 53.050 -0.030 0.000 0.851 1143 N CB 1.046 39.498 38.487 -0.059 0.000 0.990 1143 N HN 0.030 nan 8.380 nan 0.000 0.497 1144 G N 0.424 109.253 108.800 0.049 0.000 2.651 1144 G HA2 0.005 3.965 3.960 0.000 0.000 0.260 1144 G HA3 0.005 3.965 3.960 0.000 0.000 0.260 1144 G C 0.562 175.536 174.900 0.124 0.000 1.216 1144 G CA -0.232 44.945 45.100 0.128 0.000 0.913 1144 G HN -0.043 nan 8.290 nan 0.000 0.535 1145 D N -0.697 119.847 120.400 0.241 0.000 2.144 1145 D HA -0.130 4.511 4.640 0.000 0.000 0.199 1145 D C 1.912 178.277 176.300 0.109 0.000 0.984 1145 D CA 0.746 54.842 54.000 0.161 0.000 0.834 1145 D CB -0.159 40.789 40.800 0.246 0.000 0.955 1145 D HN 0.278 nan 8.370 nan 0.000 0.465 1146 F N 1.930 121.913 119.950 0.055 0.000 2.069 1146 F HA -0.213 4.314 4.527 0.000 0.000 0.298 1146 F C 1.813 177.591 175.800 -0.036 0.000 1.113 1146 F CA 1.478 59.480 58.000 0.002 0.000 1.214 1146 F CB -0.353 38.688 39.000 0.069 0.000 0.978 1146 F HN -0.146 nan 8.300 nan 0.000 0.474 1147 N N 0.213 118.894 118.700 -0.032 0.000 2.080 1147 N HA -0.118 4.622 4.740 0.000 0.000 0.189 1147 N C 1.610 177.020 175.510 -0.165 0.000 1.036 1147 N CA 1.402 54.369 53.050 -0.138 0.000 0.846 1147 N CB -0.204 38.293 38.487 0.017 0.000 1.015 1147 N HN 0.097 nan 8.380 nan 0.000 0.423 1148 K N -0.042 120.297 120.400 -0.102 0.000 2.365 1148 K HA 0.161 4.481 4.320 0.000 0.000 0.197 1148 K C 1.359 177.879 176.600 -0.133 0.000 1.042 1148 K CA 0.350 56.574 56.287 -0.104 0.000 0.987 1148 K CB 0.210 32.665 32.500 -0.074 0.000 0.779 1148 K HN 0.116 nan 8.250 nan 0.000 0.484 1149 V N 0.445 120.258 119.914 -0.169 0.000 2.939 1149 V HA 0.022 4.143 4.120 0.000 0.000 0.228 1149 V C 2.223 178.104 176.094 -0.355 0.000 1.162 1149 V CA 0.221 62.404 62.300 -0.196 0.000 1.222 1149 V CB -0.446 31.300 31.823 -0.129 0.000 1.053 1149 V HN -0.016 nan 8.190 nan 0.000 0.504 1150 L N -0.316 120.605 121.223 -0.503 0.000 2.012 1150 L HA -0.196 4.144 4.340 0.000 0.000 0.210 1150 L C 2.696 178.847 176.870 -1.198 0.000 1.073 1150 L CA 1.511 55.747 54.840 -1.007 0.000 0.748 1150 L CB -0.548 40.841 42.059 -1.116 0.000 0.891 1150 L HN 0.323 nan 8.230 nan 0.000 0.431 1151 M N -0.196 118.916 119.600 -0.813 0.000 2.213 1151 M HA -0.181 4.299 4.480 0.000 0.000 0.263 1151 M C 2.135 178.362 176.300 -0.121 0.000 1.062 1151 M CA 1.670 56.754 55.300 -0.360 0.000 1.105 1151 M CB -0.849 31.548 32.600 -0.339 0.000 1.385 1151 M HN 0.201 nan 8.290 nan 0.000 0.417 1152 K N -0.355 119.922 120.400 -0.204 0.000 2.217 1152 K HA -0.134 4.186 4.320 0.000 0.000 0.202 1152 K C 1.900 178.429 176.600 -0.117 0.000 1.051 1152 K CA 0.799 57.023 56.287 -0.104 0.000 0.952 1152 K CB -0.012 32.420 32.500 -0.113 0.000 0.736 1152 K HN 0.404 nan 8.250 nan 0.000 0.453 1153 E N -0.219 119.827 120.200 -0.258 0.000 2.158 1153 E HA -0.133 4.217 4.350 0.000 0.000 0.191 1153 E C 1.160 177.693 176.600 -0.112 0.000 0.982 1153 E CA 0.676 56.934 56.400 -0.236 0.000 0.823 1153 E CB 0.210 29.677 29.700 -0.389 0.000 0.766 1153 E HN 0.334 nan 8.360 nan 0.000 0.468 1154 W N -0.556 120.634 121.300 -0.184 0.000 2.737 1154 W HA 0.079 4.740 4.660 0.000 0.000 0.262 1154 W C 0.083 176.194 176.519 -0.680 0.000 1.282 1154 W CA 0.077 57.172 57.345 -0.417 0.000 1.386 1154 W CB -0.099 29.064 29.460 -0.495 0.000 1.099 1154 W HN 0.035 nan 8.180 nan 0.000 0.621 1155 Y N 1.558 121.939 120.300 0.135 0.000 2.662 1155 Y HA 0.303 4.853 4.550 0.000 0.000 0.358 1155 Y C -1.642 174.264 175.900 0.009 0.000 1.041 1155 Y CA -2.535 55.602 58.100 0.060 0.000 1.184 1155 Y CB -0.286 38.198 38.460 0.040 0.000 1.114 1155 Y HN -0.282 nan 8.280 nan 0.000 0.650 1169 P HA 0.482 nan 4.420 nan 0.000 0.272 1169 P C -0.034 177.093 177.300 -0.289 0.000 1.230 1169 P CA 0.101 63.002 63.100 -0.331 0.000 0.788 1169 P CB 0.505 32.038 31.700 -0.278 0.000 0.949 1170 T N 0.897 115.290 114.554 -0.268 0.000 2.869 1170 T HA 0.289 4.639 4.350 0.000 0.000 0.295 1170 T C -0.123 174.300 174.700 -0.461 0.000 0.987 1170 T CA -0.330 61.536 62.100 -0.391 0.000 1.109 1170 T CB 0.463 69.021 68.868 -0.517 0.000 0.932 1170 T HN 0.048 nan 8.240 nan 0.000 0.518 1171 V N 4.478 124.141 119.914 -0.420 0.000 2.370 1171 V HA 0.363 4.483 4.120 0.000 0.000 0.283 1171 V C -0.851 175.014 176.094 -0.381 0.000 1.023 1171 V CA -0.869 61.268 62.300 -0.271 0.000 0.857 1171 V CB 0.432 32.241 31.823 -0.024 0.000 0.985 1171 V HN 0.764 nan 8.190 nan 0.000 0.443 1172 Y N 2.935 123.113 120.300 -0.204 0.000 2.376 1172 Y HA 0.331 4.882 4.550 0.000 0.000 0.325 1172 Y C 0.856 176.821 175.900 0.108 0.000 1.199 1172 Y CA -0.391 57.629 58.100 -0.133 0.000 1.206 1172 Y CB 0.850 39.088 38.460 -0.369 0.000 1.229 1172 Y HN 0.583 nan 8.280 nan 0.000 0.480 1173 N N 2.390 121.291 118.700 0.335 0.000 2.513 1173 N HA 0.295 5.035 4.740 0.000 0.000 0.274 1173 N C -1.370 174.439 175.510 0.498 0.000 1.189 1173 N CA -0.027 53.224 53.050 0.334 0.000 0.975 1173 N CB 0.808 39.405 38.487 0.183 0.000 1.157 1173 N HN 0.626 nan 8.380 nan 0.000 0.465 1174 F N -0.505 119.529 119.950 0.140 0.000 2.645 1174 F HA 0.443 4.970 4.527 0.000 0.000 0.310 1174 F C -1.576 174.191 175.800 -0.054 0.000 1.102 1174 F CA -0.947 57.062 58.000 0.016 0.000 0.952 1174 F CB 1.187 40.127 39.000 -0.100 0.000 1.326 1174 F HN 0.304 nan 8.300 nan 0.000 0.456 1175 Q N 2.664 122.276 119.800 -0.314 0.000 2.365 1175 Q HA 0.441 4.781 4.340 0.000 0.000 0.269 1175 Q C -2.777 173.042 176.000 -0.302 0.000 1.061 1175 Q CA -2.317 53.234 55.803 -0.420 0.000 0.816 1175 Q CB 2.815 31.359 28.738 -0.322 0.000 1.325 1175 Q HN 0.398 nan 8.270 nan 0.000 0.446 1176 P HA 0.209 nan 4.420 nan 0.000 0.284 1176 P C -2.725 174.463 177.300 -0.187 0.000 1.343 1176 P CA -1.578 61.544 63.100 0.036 0.000 0.826 1176 P CB 0.722 32.412 31.700 -0.017 0.000 0.956 1177 P HA 0.454 nan 4.420 nan 0.000 0.281 1177 P C -0.425 176.995 177.300 0.200 0.000 1.249 1177 P CA -0.564 62.410 63.100 -0.209 0.000 0.810 1177 P CB 0.999 32.306 31.700 -0.656 0.000 1.008 1178 M N 1.179 120.905 119.600 0.211 0.000 2.518 1178 M HA 0.328 4.808 4.480 0.000 0.000 0.300 1178 M C -1.021 175.420 176.300 0.235 0.000 1.175 1178 M CA -0.809 54.699 55.300 0.347 0.000 0.890 1178 M CB 2.109 34.970 32.600 0.435 0.000 1.710 1178 M HN 0.142 nan 8.290 nan 0.000 0.453 1179 D N 4.079 124.622 120.400 0.239 0.000 2.455 1179 D HA 0.173 4.813 4.640 0.000 0.000 0.234 1179 D C 0.921 177.357 176.300 0.227 0.000 1.224 1179 D CA 0.212 54.336 54.000 0.205 0.000 0.999 1179 D CB 0.013 40.919 40.800 0.177 0.000 1.072 1179 D HN 0.643 nan 8.370 nan 0.000 0.514 1180 I N 2.346 123.060 120.570 0.240 0.000 2.361 1180 I HA -0.255 3.915 4.170 0.000 0.000 0.251 1180 I C 2.250 178.566 176.117 0.331 0.000 1.133 1180 I CA 0.402 61.870 61.300 0.281 0.000 1.413 1180 I CB 0.144 38.284 38.000 0.232 0.000 1.073 1180 I HN 0.251 nan 8.210 nan 0.000 0.424 1181 V N 1.020 121.100 119.914 0.277 0.000 2.295 1181 V HA -0.329 3.791 4.120 0.000 0.000 0.246 1181 V C 2.544 178.752 176.094 0.189 0.000 1.049 1181 V CA 2.012 64.450 62.300 0.229 0.000 1.024 1181 V CB -0.761 31.140 31.823 0.130 0.000 0.648 1181 V HN 0.429 nan 8.190 nan 0.000 0.447 1182 K N 0.009 120.510 120.400 0.169 0.000 2.032 1182 K HA -0.176 4.144 4.320 0.000 0.000 0.209 1182 K C 2.106 178.817 176.600 0.185 0.000 1.048 1182 K CA 1.792 58.162 56.287 0.139 0.000 0.927 1182 K CB -0.235 32.341 32.500 0.126 0.000 0.712 1182 K HN 0.334 nan 8.250 nan 0.000 0.441 1183 V N 1.456 121.533 119.914 0.271 0.000 2.287 1183 V HA -0.272 3.849 4.120 0.000 0.000 0.248 1183 V C 2.602 178.942 176.094 0.409 0.000 1.053 1183 V CA 2.258 64.790 62.300 0.386 0.000 1.027 1183 V CB -0.636 31.412 31.823 0.376 0.000 0.646 1183 V HN 0.443 nan 8.190 nan 0.000 0.447 1184 R N 0.318 121.043 120.500 0.374 0.000 2.083 1184 R HA -0.169 4.171 4.340 0.000 0.000 0.237 1184 R C 2.404 178.819 176.300 0.193 0.000 1.137 1184 R CA 2.084 58.392 56.100 0.346 0.000 0.951 1184 R CB -0.465 29.928 30.300 0.154 0.000 0.851 1184 R HN 0.489 nan 8.270 nan 0.000 0.434 1185 S N -0.413 115.341 115.700 0.090 0.000 2.419 1185 S HA -0.107 4.363 4.470 0.000 0.000 0.235 1185 S C 1.577 176.167 174.600 -0.016 0.000 1.019 1185 S CA 1.735 59.943 58.200 0.014 0.000 0.982 1185 S CB -0.060 63.140 63.200 -0.000 0.000 0.789 1185 S HN 0.517 nan 8.310 nan 0.000 0.490 1186 T N -0.358 114.170 114.554 -0.044 0.000 3.040 1186 T HA 0.156 4.506 4.350 0.000 0.000 0.252 1186 T C 0.799 175.195 174.700 -0.507 0.000 1.064 1186 T CA 0.560 62.468 62.100 -0.321 0.000 1.110 1186 T CB -0.058 68.510 68.868 -0.500 0.000 0.921 1186 T HN 0.528 nan 8.240 nan 0.000 0.480 1187 Y N -1.553 118.824 120.300 0.128 0.000 2.448 1187 Y HA 0.342 4.892 4.550 0.000 0.000 0.257 1187 Y C 0.657 176.637 175.900 0.133 0.000 1.089 1187 Y CA -1.785 56.381 58.100 0.109 0.000 1.245 1187 Y CB 0.407 38.919 38.460 0.086 0.000 1.282 1187 Y HN 0.180 nan 8.280 nan 0.000 0.529 1188 W N 4.545 125.909 121.300 0.105 0.000 2.343 1188 W HA 0.076 4.736 4.660 0.000 0.000 0.337 1188 W C -0.446 176.086 176.519 0.021 0.000 1.320 1188 W CA 0.865 58.233 57.345 0.039 0.000 1.290 1188 W CB 0.637 30.072 29.460 -0.042 0.000 1.206 1188 W HN -0.111 nan 8.180 nan 0.000 0.565 1189 K N 3.966 124.316 120.400 -0.084 0.000 2.281 1189 K HA 0.143 4.464 4.320 0.000 0.000 0.242 1189 K C -0.481 176.120 176.600 0.001 0.000 0.971 1189 K CA -0.881 55.399 56.287 -0.012 0.000 0.834 1189 K CB 1.114 33.572 32.500 -0.069 0.000 1.181 1189 K HN 0.403 nan 8.250 nan 0.000 0.435 1190 D N 1.402 121.833 120.400 0.051 0.000 2.425 1190 D HA -0.016 4.624 4.640 0.000 0.000 0.247 1190 D C 1.187 177.481 176.300 -0.008 0.000 1.147 1190 D CA 0.099 54.135 54.000 0.059 0.000 0.879 1190 D CB 1.202 42.026 40.800 0.041 0.000 1.179 1190 D HN 0.132 nan 8.370 nan 0.000 0.456 1191 V N 3.586 123.504 119.914 0.006 0.000 2.439 1191 V HA -0.331 3.789 4.120 0.000 0.000 0.253 1191 V C 2.419 178.438 176.094 -0.124 0.000 1.074 1191 V CA 2.267 64.528 62.300 -0.066 0.000 1.076 1191 V CB -0.891 30.930 31.823 -0.004 0.000 0.664 1191 V HN 0.690 nan 8.190 nan 0.000 0.461 1192 S N 0.293 115.953 115.700 -0.068 0.000 2.500 1192 S HA -0.167 4.304 4.470 0.000 0.000 0.239 1192 S C 1.369 175.924 174.600 -0.074 0.000 0.989 1192 S CA 1.314 59.473 58.200 -0.069 0.000 0.951 1192 S CB -0.410 62.769 63.200 -0.034 0.000 0.759 1192 S HN 0.821 nan 8.310 nan 0.000 0.523 1193 E N 0.417 120.572 120.200 -0.076 0.000 2.465 1193 E HA 0.341 4.691 4.350 0.000 0.000 0.195 1193 E C -0.368 176.175 176.600 -0.095 0.000 1.028 1193 E CA -0.171 56.188 56.400 -0.068 0.000 0.899 1193 E CB 0.278 29.952 29.700 -0.043 0.000 1.032 1193 E HN 0.577 nan 8.360 nan 0.000 0.468 1194 I N 2.053 122.534 120.570 -0.148 0.000 2.336 1194 I HA 0.118 4.288 4.170 0.000 0.000 0.292 1194 I C 0.121 176.129 176.117 -0.181 0.000 0.991 1194 I CA -0.818 60.371 61.300 -0.186 0.000 1.227 1194 I CB 0.944 38.770 38.000 -0.289 0.000 1.366 1194 I HN -0.058 nan 8.210 nan 0.000 0.466 1195 N N 7.587 126.218 118.700 -0.116 0.000 2.439 1195 N HA 0.105 4.845 4.740 0.000 0.000 0.243 1195 N C 0.779 176.263 175.510 -0.044 0.000 1.088 1195 N CA -0.295 52.715 53.050 -0.066 0.000 0.940 1195 N CB 0.874 39.348 38.487 -0.022 0.000 1.180 1195 N HN 0.532 nan 8.380 nan 0.000 0.505 1196 M N 1.758 121.323 119.600 -0.058 0.000 2.435 1196 M HA -0.107 4.373 4.480 0.000 0.000 0.262 1196 M C 0.753 177.199 176.300 0.244 0.000 1.065 1196 M CA 0.765 56.097 55.300 0.053 0.000 1.076 1196 M CB -0.685 31.942 32.600 0.045 0.000 1.403 1196 M HN 0.408 nan 8.290 nan 0.000 0.454 1197 N N 0.540 119.336 118.700 0.160 0.000 2.446 1197 N HA 0.136 4.877 4.740 0.000 0.000 0.179 1197 N C 0.547 176.184 175.510 0.213 0.000 1.054 1197 N CA 0.367 53.530 53.050 0.188 0.000 0.905 1197 N CB 0.544 39.103 38.487 0.121 0.000 0.973 1197 N HN 0.380 nan 8.380 nan 0.000 0.448 1198 I N 1.918 122.601 120.570 0.188 0.000 2.352 1198 I HA 0.078 4.249 4.170 0.000 0.000 0.290 1198 I C -0.553 175.739 176.117 0.292 0.000 1.036 1198 I CA -0.311 61.096 61.300 0.177 0.000 1.336 1198 I CB 0.414 38.470 38.000 0.092 0.000 1.407 1198 I HN -0.160 nan 8.210 nan 0.000 0.497 1199 N N 6.286 125.165 118.700 0.299 0.000 2.476 1199 N HA 0.387 5.127 4.740 0.000 0.000 0.257 1199 N C -0.675 174.990 175.510 0.257 0.000 0.970 1199 N CA -0.726 52.588 53.050 0.440 0.000 0.938 1199 N CB 1.415 40.135 38.487 0.388 0.000 1.144 1199 N HN 0.454 nan 8.380 nan 0.000 0.500 1200 R N 2.167 122.870 120.500 0.339 0.000 2.288 1200 R HA 0.291 4.632 4.340 0.000 0.000 0.326 1200 R C -1.418 175.067 176.300 0.308 0.000 0.959 1200 R CA -0.723 55.506 56.100 0.214 0.000 0.834 1200 R CB 0.896 31.258 30.300 0.103 0.000 1.157 1200 R HN 0.612 nan 8.270 nan 0.000 0.470 1201 W N 7.603 128.908 121.300 0.008 0.000 2.417 1201 W HA 0.467 5.127 4.660 0.000 0.000 0.317 1201 W C -0.773 175.721 176.519 -0.042 0.000 1.121 1201 W CA -0.650 56.702 57.345 0.011 0.000 1.208 1201 W CB 0.734 30.125 29.460 -0.114 0.000 1.253 1201 W HN 0.486 nan 8.180 nan 0.000 0.533 1202 I N 4.841 125.089 120.570 -0.537 0.000 2.545 1202 I HA 1.017 5.188 4.170 0.000 0.000 0.292 1202 I C 0.135 175.518 176.117 -1.224 0.000 1.040 1202 I CA -0.733 60.221 61.300 -0.577 0.000 1.068 1202 I CB 1.765 39.559 38.000 -0.343 0.000 1.251 1202 I HN 0.705 nan 8.210 nan 0.000 0.424 1203 G N 4.758 113.014 108.800 -0.908 0.000 2.435 1203 G HA2 0.492 4.453 3.960 0.000 0.000 0.228 1203 G HA3 0.492 4.453 3.960 0.000 0.000 0.228 1203 G C -1.501 173.265 174.900 -0.224 0.000 1.198 1203 G CA -0.903 43.706 45.100 -0.817 0.000 0.948 1203 G HN 0.694 nan 8.290 nan 0.000 0.487 1204 R N -1.336 119.124 120.500 -0.067 0.000 2.817 1204 R HA 0.570 4.911 4.340 0.000 0.000 0.268 1204 R C -0.919 175.418 176.300 0.061 0.000 1.027 1204 R CA -0.691 55.407 56.100 -0.003 0.000 0.928 1204 R CB 1.777 32.001 30.300 -0.127 0.000 1.228 1204 R HN 0.405 nan 8.270 nan 0.000 0.469 1205 T N 1.121 115.654 114.554 -0.035 0.000 4.058 1205 T HA 0.100 4.450 4.350 0.000 0.000 0.252 1205 T C -0.254 174.412 174.700 -0.058 0.000 1.264 1205 T CA 0.405 62.400 62.100 -0.175 0.000 1.094 1205 T CB -0.256 68.519 68.868 -0.156 0.000 1.316 1205 T HN 0.319 nan 8.240 nan 0.000 0.872 1206 T N 0.790 115.369 114.554 0.042 0.000 2.921 1206 T HA 0.314 4.664 4.350 0.000 0.000 0.297 1206 T C 1.684 176.453 174.700 0.114 0.000 1.013 1206 T CA -0.411 61.707 62.100 0.029 0.000 0.990 1206 T CB 1.291 70.021 68.868 -0.230 0.000 1.023 1206 T HN 0.404 nan 8.240 nan 0.000 0.447 1207 T N 1.683 116.350 114.554 0.189 0.000 2.714 1207 T HA -0.169 4.181 4.350 0.000 0.000 0.268 1207 T C 1.830 176.493 174.700 -0.063 0.000 1.036 1207 T CA 1.810 63.891 62.100 -0.032 0.000 1.148 1207 T CB -0.537 68.387 68.868 0.093 0.000 0.856 1207 T HN 0.873 nan 8.240 nan 0.000 0.462 1208 W N 1.155 122.434 121.300 -0.035 0.000 3.077 1208 W HA 0.323 4.984 4.660 0.000 0.000 0.245 1208 W C 0.753 177.202 176.519 -0.118 0.000 1.316 1208 W CA -0.225 57.053 57.345 -0.112 0.000 1.537 1208 W CB -0.536 28.870 29.460 -0.090 0.000 1.131 1208 W HN 0.123 nan 8.180 nan 0.000 0.695 1209 K N 0.916 121.168 120.400 -0.248 0.000 2.444 1209 K HA 0.099 4.419 4.320 0.000 0.000 0.193 1209 K C 1.507 178.181 176.600 0.123 0.000 1.024 1209 K CA 0.732 56.927 56.287 -0.154 0.000 1.077 1209 K CB -0.393 32.023 32.500 -0.140 0.000 0.833 1209 K HN 0.294 nan 8.250 nan 0.000 0.517 1210 G N 2.676 111.434 108.800 -0.069 0.000 2.246 1210 G HA2 -0.296 3.665 3.960 0.000 0.000 0.273 1210 G HA3 -0.296 3.665 3.960 0.000 0.000 0.273 1210 G C 0.565 175.405 174.900 -0.101 0.000 1.055 1210 G CA 0.560 45.575 45.100 -0.142 0.000 0.851 1210 G HN 0.433 nan 8.290 nan 0.000 0.500 1211 F N -2.265 117.570 119.950 -0.192 0.000 2.234 1211 F HA 0.122 4.650 4.527 0.000 0.000 0.299 1211 F C 2.275 177.850 175.800 -0.376 0.000 1.087 1211 F CA 1.026 58.606 58.000 -0.700 0.000 1.340 1211 F CB -0.626 37.910 39.000 -0.774 0.000 1.031 1211 F HN 0.243 nan 8.300 nan 0.000 0.500 1212 Y N 0.810 120.848 120.300 -0.438 0.000 2.181 1212 Y HA -0.227 4.324 4.550 0.000 0.000 0.288 1212 Y C 2.562 178.498 175.900 0.060 0.000 1.146 1212 Y CA 1.145 59.209 58.100 -0.060 0.000 1.164 1212 Y CB -0.401 37.922 38.460 -0.227 0.000 0.982 1212 Y HN 0.097 nan 8.280 nan 0.000 0.515 1213 Q N -0.780 119.112 119.800 0.153 0.000 2.167 1213 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 1213 Q C 2.194 178.320 176.000 0.210 0.000 0.970 1213 Q CA 1.441 57.391 55.803 0.246 0.000 0.855 1213 Q CB -0.288 28.608 28.738 0.263 0.000 0.911 1213 Q HN 0.422 nan 8.270 nan 0.000 0.438 1214 M N -0.953 118.615 119.600 -0.053 0.000 2.132 1214 M HA -0.047 4.433 4.480 0.000 0.000 0.263 1214 M C 1.070 177.367 176.300 -0.006 0.000 1.065 1214 M CA 1.425 56.629 55.300 -0.160 0.000 1.122 1214 M CB -0.194 31.992 32.600 -0.690 0.000 1.365 1214 M HN 0.146 nan 8.290 nan 0.000 0.411 1215 F N 0.310 120.285 119.950 0.042 0.000 2.134 1215 F HA -0.182 4.345 4.527 0.000 0.000 0.299 1215 F C 2.298 178.225 175.800 0.212 0.000 1.097 1215 F CA 1.904 59.978 58.000 0.123 0.000 1.264 1215 F CB -1.155 37.923 39.000 0.130 0.000 1.001 1215 F HN 0.246 nan 8.300 nan 0.000 0.479 1216 D N -0.595 120.065 120.400 0.433 0.000 2.097 1216 D HA -0.237 4.403 4.640 0.000 0.000 0.195 1216 D C 2.134 178.691 176.300 0.429 0.000 0.989 1216 D CA 1.028 55.250 54.000 0.371 0.000 0.827 1216 D CB -0.389 40.627 40.800 0.358 0.000 0.966 1216 D HN 0.155 nan 8.370 nan 0.000 0.456 1217 F N 0.579 120.737 119.950 0.348 0.000 2.171 1217 F HA -0.128 4.399 4.527 0.000 0.000 0.300 1217 F C 2.291 178.278 175.800 0.312 0.000 1.090 1217 F CA 1.635 59.870 58.000 0.392 0.000 1.293 1217 F CB -0.533 38.756 39.000 0.482 0.000 1.013 1217 F HN 0.178 nan 8.300 nan 0.000 0.486 1218 H N -0.295 118.865 119.070 0.150 0.000 2.357 1218 H HA -0.144 4.412 4.556 0.000 0.000 0.301 1218 H C 2.200 177.513 175.328 -0.025 0.000 1.082 1218 H CA 1.737 57.782 56.048 -0.006 0.000 1.342 1218 H CB -0.163 29.636 29.762 0.061 0.000 1.389 1218 H HN 0.453 nan 8.280 nan 0.000 0.511 1219 E N 0.539 120.743 120.200 0.007 0.000 2.106 1219 E HA -0.123 4.227 4.350 0.000 0.000 0.192 1219 E C 1.967 178.462 176.600 -0.175 0.000 0.984 1219 E CA 0.865 57.208 56.400 -0.094 0.000 0.806 1219 E CB 0.242 29.973 29.700 0.051 0.000 0.750 1219 E HN 0.450 nan 8.360 nan 0.000 0.458 1220 K N -1.274 119.052 120.400 -0.123 0.000 2.262 1220 K HA 0.021 4.342 4.320 0.000 0.000 0.200 1220 K C 1.203 177.350 176.600 -0.756 0.000 1.049 1220 K CA 0.708 56.794 56.287 -0.334 0.000 0.979 1220 K CB 0.311 32.718 32.500 -0.156 0.000 0.773 1220 K HN 0.106 nan 8.250 nan 0.000 0.474 1221 F N -0.570 119.049 119.950 -0.551 0.000 2.421 1221 F HA 0.165 4.692 4.527 0.000 0.000 0.270 1221 F C 1.738 176.931 175.800 -1.012 0.000 0.894 1221 F CA -0.283 57.167 58.000 -0.916 0.000 1.128 1221 F CB -0.246 38.004 39.000 -1.250 0.000 1.011 1221 F HN -0.233 nan 8.300 nan 0.000 0.788 1222 L N 0.596 121.431 121.223 -0.646 0.000 1.994 1222 L HA -0.200 4.140 4.340 0.000 0.000 0.208 1222 L C 2.483 179.196 176.870 -0.261 0.000 1.071 1222 L CA 1.710 56.352 54.840 -0.330 0.000 0.745 1222 L CB -0.621 41.423 42.059 -0.024 0.000 0.892 1222 L HN 0.126 nan 8.230 nan 0.000 0.431 1223 K N 0.167 120.263 120.400 -0.507 0.000 2.032 1223 K HA -0.173 4.147 4.320 0.000 0.000 0.209 1223 K C -0.302 176.146 176.600 -0.252 0.000 1.048 1223 K CA 1.607 57.614 56.287 -0.466 0.000 0.927 1223 K CB -0.785 31.285 32.500 -0.716 0.000 0.712 1223 K HN 0.167 nan 8.250 nan 0.000 0.441 1224 P HA -0.115 nan 4.420 nan 0.000 0.218 1224 P C 0.436 177.652 177.300 -0.139 0.000 1.149 1224 P CA 1.479 64.453 63.100 -0.211 0.000 0.817 1224 P CB 0.037 31.569 31.700 -0.281 0.000 0.785 1225 A N -1.048 121.684 122.820 -0.147 0.000 2.259 1225 A HA 0.415 4.735 4.320 0.000 0.000 0.208 1225 A C 1.637 179.258 177.584 0.062 0.000 1.201 1225 A CA 0.750 52.793 52.037 0.011 0.000 0.824 1225 A CB -1.379 17.716 19.000 0.158 0.000 0.838 1225 A HN 0.252 nan 8.150 nan 0.000 0.485 1226 G N -0.780 108.029 108.800 0.015 0.000 2.159 1226 G HA2 -0.234 3.726 3.960 0.000 0.000 0.256 1226 G HA3 -0.234 3.726 3.960 0.000 0.000 0.256 1226 G C 0.243 175.194 174.900 0.084 0.000 0.977 1226 G CA 0.499 45.626 45.100 0.045 0.000 0.652 1226 G HN 0.433 nan 8.290 nan 0.000 0.531 1227 K N 0.374 120.838 120.400 0.107 0.000 2.098 1227 K HA 0.704 5.024 4.320 0.000 0.000 0.244 1227 K C 0.237 176.951 176.600 0.191 0.000 1.014 1227 K CA -0.284 56.101 56.287 0.164 0.000 0.917 1227 K CB 1.129 33.761 32.500 0.220 0.000 1.072 1227 K HN 0.143 nan 8.250 nan 0.000 0.477 1228 S N 0.122 115.937 115.700 0.192 0.000 2.503 1228 S HA 0.452 4.922 4.470 0.000 0.000 0.301 1228 S C -0.666 174.001 174.600 0.112 0.000 1.087 1228 S CA -0.650 57.648 58.200 0.164 0.000 1.042 1228 S CB 1.592 64.854 63.200 0.103 0.000 1.043 1228 S HN 0.412 nan 8.310 nan 0.000 0.489 1229 T N 2.359 116.883 114.554 -0.049 0.000 2.824 1229 T HA 0.591 4.942 4.350 0.000 0.000 0.282 1229 T C -0.837 173.766 174.700 -0.163 0.000 0.993 1229 T CA -0.439 61.553 62.100 -0.181 0.000 0.967 1229 T CB 1.223 69.780 68.868 -0.518 0.000 0.960 1229 T HN 0.341 nan 8.240 nan 0.000 0.441 1230 V N 4.493 124.361 119.914 -0.078 0.000 2.604 1230 V HA 0.569 4.689 4.120 0.000 0.000 0.305 1230 V C -0.490 175.599 176.094 -0.008 0.000 1.043 1230 V CA -0.820 61.450 62.300 -0.050 0.000 0.888 1230 V CB 1.919 33.720 31.823 -0.036 0.000 0.995 1230 V HN 0.862 nan 8.190 nan 0.000 0.429 1231 M N 3.987 123.585 119.600 -0.003 0.000 2.053 1231 M HA 0.482 4.962 4.480 0.000 0.000 0.297 1231 M C -0.611 175.798 176.300 0.182 0.000 0.921 1231 M CA -0.257 55.116 55.300 0.122 0.000 0.918 1231 M CB 1.748 34.218 32.600 -0.216 0.000 1.499 1231 M HN 0.606 nan 8.290 nan 0.000 0.422 1232 E N 1.100 121.436 120.200 0.228 0.000 2.216 1232 E HA 0.571 4.921 4.350 0.000 0.000 0.279 1232 E C 0.774 177.564 176.600 0.318 0.000 0.997 1232 E CA -0.085 56.400 56.400 0.141 0.000 0.817 1232 E CB 1.729 31.332 29.700 -0.161 0.000 1.096 1232 E HN 0.973 nan 8.360 nan 0.000 0.393 1233 G N 2.636 111.642 108.800 0.343 0.000 2.176 1233 G HA2 -0.259 3.702 3.960 0.000 0.000 0.232 1233 G HA3 -0.259 3.702 3.960 0.000 0.000 0.232 1233 G C 0.271 175.281 174.900 0.184 0.000 0.986 1233 G CA -0.497 44.762 45.100 0.265 0.000 0.643 1233 G HN 0.506 nan 8.290 nan 0.000 0.522 1234 L N 2.673 124.030 121.223 0.224 0.000 2.451 1234 L HA 0.204 4.544 4.340 0.000 0.000 0.272 1234 L C 1.209 178.145 176.870 0.110 0.000 1.258 1234 L CA -0.297 54.637 54.840 0.158 0.000 1.132 1234 L CB -0.000 42.145 42.059 0.144 0.000 1.361 1234 L HN 0.502 nan 8.230 nan 0.000 0.438 1235 E N 4.665 124.889 120.200 0.041 0.000 2.404 1235 E HA -0.023 4.327 4.350 0.000 0.000 0.261 1235 E C -0.174 176.327 176.600 -0.164 0.000 1.074 1235 E CA -0.332 56.057 56.400 -0.018 0.000 0.917 1235 E CB 0.662 30.349 29.700 -0.020 0.000 0.965 1235 E HN 0.397 nan 8.360 nan 0.000 0.433 1236 R N 1.923 122.214 120.500 -0.348 0.000 4.609 1236 R HA 0.109 4.449 4.340 0.000 0.000 0.235 1236 R C 0.241 176.421 176.300 -0.200 0.000 1.836 1236 R CA -0.114 55.615 56.100 -0.618 0.000 1.564 1236 R CB -0.284 29.465 30.300 -0.919 0.000 1.382 1236 R HN 0.607 nan 8.270 nan 0.000 0.776 1237 S N 0.302 115.965 115.700 -0.061 0.000 2.626 1237 S HA 0.171 4.642 4.470 0.000 0.000 0.257 1237 S C -1.116 173.511 174.600 0.046 0.000 1.288 1237 S CA -1.180 57.018 58.200 -0.004 0.000 0.980 1237 S CB 0.603 63.811 63.200 0.012 0.000 0.975 1237 S HN 0.062 nan 8.310 nan 0.000 0.577 1238 P HA -0.206 nan 4.420 nan 0.000 0.217 1238 P C 1.459 178.804 177.300 0.074 0.000 1.151 1238 P CA 2.026 65.159 63.100 0.056 0.000 0.849 1238 P CB -0.464 31.264 31.700 0.047 0.000 0.787 1239 A N -0.701 122.162 122.820 0.071 0.000 2.024 1239 A HA -0.185 4.135 4.320 0.000 0.000 0.220 1239 A C 2.068 179.670 177.584 0.030 0.000 1.164 1239 A CA 1.199 53.277 52.037 0.067 0.000 0.643 1239 A CB -1.887 17.150 19.000 0.061 0.000 0.806 1239 A HN 0.166 nan 8.150 nan 0.000 0.451 1240 F N 0.366 120.242 119.950 -0.124 0.000 2.365 1240 F HA -0.078 4.449 4.527 0.000 0.000 0.300 1240 F C 1.794 177.531 175.800 -0.106 0.000 1.090 1240 F CA 0.956 58.843 58.000 -0.188 0.000 1.408 1240 F CB -0.148 38.721 39.000 -0.219 0.000 1.060 1240 F HN 0.195 nan 8.300 nan 0.000 0.534 1241 I N -0.104 120.508 120.570 0.070 0.000 2.248 1241 I HA -0.379 3.791 4.170 0.000 0.000 0.248 1241 I C 2.665 178.766 176.117 -0.026 0.000 1.107 1241 I CA 1.236 62.561 61.300 0.040 0.000 1.373 1241 I CB -0.857 37.176 38.000 0.056 0.000 1.055 1241 I HN 0.208 nan 8.210 nan 0.000 0.418 1242 A N 0.985 123.799 122.820 -0.011 0.000 1.940 1242 A HA -0.190 4.131 4.320 0.000 0.000 0.219 1242 A C 2.276 179.868 177.584 0.013 0.000 1.176 1242 A CA 1.514 53.582 52.037 0.052 0.000 0.631 1242 A CB -0.807 18.299 19.000 0.177 0.000 0.814 1242 A HN 0.416 nan 8.150 nan 0.000 0.446 1243 I N -0.519 119.936 120.570 -0.191 0.000 2.361 1243 I HA -0.278 3.893 4.170 0.000 0.000 0.251 1243 I C 2.330 178.307 176.117 -0.232 0.000 1.133 1243 I CA 1.549 62.668 61.300 -0.301 0.000 1.413 1243 I CB -0.264 37.204 38.000 -0.886 0.000 1.073 1243 I HN 0.342 nan 8.210 nan 0.000 0.424 1244 K N 0.678 120.950 120.400 -0.213 0.000 2.103 1244 K HA -0.115 4.205 4.320 0.000 0.000 0.204 1244 K C 1.859 178.452 176.600 -0.011 0.000 1.052 1244 K CA 1.077 57.344 56.287 -0.032 0.000 0.945 1244 K CB -0.113 32.409 32.500 0.037 0.000 0.722 1244 K HN 0.388 nan 8.250 nan 0.000 0.443 1245 E N 0.897 121.089 120.200 -0.012 0.000 2.204 1245 E HA -0.105 4.245 4.350 0.000 0.000 0.194 1245 E C 1.600 178.198 176.600 -0.003 0.000 0.989 1245 E CA 0.694 57.095 56.400 0.002 0.000 0.824 1245 E CB 0.173 29.882 29.700 0.014 0.000 0.756 1245 E HN 0.116 nan 8.360 nan 0.000 0.477 1246 K N -0.333 120.067 120.400 -0.001 0.000 2.366 1246 K HA 0.020 4.340 4.320 0.000 0.000 0.198 1246 K C 1.296 177.880 176.600 -0.026 0.000 1.044 1246 K CA 0.821 57.102 56.287 -0.010 0.000 0.973 1246 K CB 0.084 32.591 32.500 0.011 0.000 0.767 1246 K HN 0.268 nan 8.250 nan 0.000 0.475 1247 G N 2.043 110.825 108.800 -0.030 0.000 2.160 1247 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 1247 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 1247 G C 0.082 174.945 174.900 -0.062 0.000 1.022 1247 G CA -0.056 45.019 45.100 -0.041 0.000 0.741 1247 G HN 0.279 nan 8.290 nan 0.000 0.508 1248 I N 1.369 121.887 120.570 -0.087 0.000 2.618 1248 I HA 0.179 4.350 4.170 0.000 0.000 0.284 1248 I C -1.460 174.596 176.117 -0.101 0.000 1.146 1248 I CA -1.640 59.559 61.300 -0.168 0.000 1.425 1248 I CB 0.761 38.487 38.000 -0.457 0.000 1.383 1248 I HN -0.043 nan 8.210 nan 0.000 0.562 1249 P HA 0.264 nan 4.420 nan 0.000 0.275 1249 P C -1.450 175.906 177.300 0.095 0.000 1.227 1249 P CA 0.102 63.166 63.100 -0.059 0.000 0.781 1249 P CB 0.533 32.234 31.700 0.001 0.000 0.906 1250 Y N -1.541 118.797 120.300 0.063 0.000 2.732 1250 Y HA 0.660 5.210 4.550 0.000 0.000 0.342 1250 Y C -1.606 174.391 175.900 0.161 0.000 1.203 1250 Y CA -1.373 56.828 58.100 0.169 0.000 1.092 1250 Y CB 0.762 39.366 38.460 0.241 0.000 1.345 1250 Y HN 0.159 nan 8.280 nan 0.000 0.458 1251 E N 1.372 121.837 120.200 0.441 0.000 2.185 1251 E HA 0.390 4.740 4.350 0.000 0.000 0.261 1251 E C -2.240 174.573 176.600 0.355 0.000 0.879 1251 E CA -0.711 55.847 56.400 0.264 0.000 0.756 1251 E CB 1.069 30.942 29.700 0.289 0.000 1.152 1251 E HN 0.598 nan 8.360 nan 0.000 0.416 1252 Y N 3.811 124.151 120.300 0.067 0.000 2.323 1252 Y HA 0.452 5.002 4.550 0.000 0.000 0.331 1252 Y C -1.213 174.504 175.900 -0.306 0.000 1.092 1252 Y CA -0.206 57.923 58.100 0.049 0.000 1.150 1252 Y CB 0.650 39.185 38.460 0.125 0.000 1.200 1252 Y HN 0.486 nan 8.280 nan 0.000 0.472 1253 Y N 2.634 122.736 120.300 -0.330 0.000 2.477 1253 Y HA 0.587 5.137 4.550 0.000 0.000 0.347 1253 Y C 0.545 176.278 175.900 -0.278 0.000 0.981 1253 Y CA -1.120 56.872 58.100 -0.179 0.000 1.033 1253 Y CB 1.683 40.075 38.460 -0.113 0.000 1.245 1253 Y HN 0.741 nan 8.280 nan 0.000 0.455 1254 G N 0.348 109.178 108.800 0.050 0.000 2.588 1254 G HA2 0.065 4.026 3.960 0.000 0.000 0.281 1254 G HA3 0.065 4.026 3.960 0.000 0.000 0.281 1254 G C 0.382 175.298 174.900 0.026 0.000 1.236 1254 G CA -0.539 44.577 45.100 0.027 0.000 0.969 1254 G HN 0.721 nan 8.290 nan 0.000 0.504 1255 N N -1.105 117.606 118.700 0.018 0.000 2.459 1255 N HA -0.039 4.702 4.740 0.000 0.000 0.181 1255 N C 1.789 177.313 175.510 0.023 0.000 1.046 1255 N CA 0.451 53.512 53.050 0.018 0.000 0.904 1255 N CB 0.087 38.583 38.487 0.015 0.000 0.964 1255 N HN 0.392 nan 8.380 nan 0.000 0.444 1256 R N 0.205 120.724 120.500 0.032 0.000 2.515 1256 R HA 0.121 4.461 4.340 0.000 0.000 0.294 1256 R C -0.233 176.095 176.300 0.045 0.000 1.021 1256 R CA 0.237 56.356 56.100 0.032 0.000 1.081 1256 R CB 0.125 30.442 30.300 0.028 0.000 1.263 1256 R HN 0.484 nan 8.270 nan 0.000 0.557 1257 E N -0.597 119.641 120.200 0.063 0.000 3.085 1257 E HA 0.098 4.448 4.350 0.000 0.000 0.179 1257 E C 0.730 177.384 176.600 0.089 0.000 0.951 1257 E CA -0.098 56.362 56.400 0.100 0.000 1.326 1257 E CB -0.078 29.714 29.700 0.153 0.000 1.043 1257 E HN 0.114 nan 8.360 nan 0.000 0.457 1258 I N 1.545 122.122 120.570 0.011 0.000 2.179 1258 I HA -0.232 3.938 4.170 0.000 0.000 0.242 1258 I C 1.579 177.626 176.117 -0.116 0.000 1.088 1258 I CA 1.358 62.611 61.300 -0.079 0.000 1.357 1258 I CB -0.222 37.742 38.000 -0.061 0.000 1.051 1258 I HN 0.110 nan 8.210 nan 0.000 0.409 1259 D N 1.350 121.719 120.400 -0.052 0.000 2.351 1259 D HA -0.134 4.506 4.640 0.000 0.000 0.216 1259 D C 1.421 177.697 176.300 -0.039 0.000 0.968 1259 D CA 1.020 54.993 54.000 -0.045 0.000 0.899 1259 D CB -0.140 40.651 40.800 -0.015 0.000 0.907 1259 D HN 0.455 nan 8.370 nan 0.000 0.514 1260 K N 0.002 120.393 120.400 -0.015 0.000 2.469 1260 K HA 0.176 4.496 4.320 0.000 0.000 0.201 1260 K C 0.682 177.284 176.600 0.004 0.000 1.028 1260 K CA -0.261 56.059 56.287 0.054 0.000 1.170 1260 K CB 0.441 33.034 32.500 0.156 0.000 0.874 1260 K HN 0.088 nan 8.250 nan 0.000 0.507 1261 M N 1.684 121.109 119.600 -0.292 0.000 2.211 1261 M HA 0.035 4.515 4.480 0.000 0.000 0.356 1261 M C -0.237 175.940 176.300 -0.206 0.000 1.216 1261 M CA 0.085 55.009 55.300 -0.626 0.000 1.134 1261 M CB 0.523 32.705 32.600 -0.698 0.000 1.564 1261 M HN 0.073 nan 8.290 nan 0.000 0.463 1262 N N 5.058 123.715 118.700 -0.073 0.000 2.508 1262 N HA 0.183 4.924 4.740 0.000 0.000 0.253 1262 N C -0.302 175.212 175.510 0.007 0.000 1.145 1262 N CA -0.309 52.757 53.050 0.027 0.000 0.973 1262 N CB 0.316 38.872 38.487 0.115 0.000 1.305 1262 N HN 0.702 nan 8.380 nan 0.000 0.506 1263 L N 2.449 123.665 121.223 -0.012 0.000 2.737 1263 L HA 0.320 4.660 4.340 0.000 0.000 0.236 1263 L C 0.706 177.594 176.870 0.030 0.000 1.219 1263 L CA -0.434 54.407 54.840 0.001 0.000 1.021 1263 L CB -0.349 41.699 42.059 -0.018 0.000 1.291 1263 L HN 0.417 nan 8.230 nan 0.000 0.470 1264 A N 0.780 123.626 122.820 0.042 0.000 2.269 1264 A HA 0.724 5.044 4.320 0.000 0.000 0.319 1264 A C -2.234 175.390 177.584 0.067 0.000 1.110 1264 A CA -1.406 50.660 52.037 0.048 0.000 0.847 1264 A CB 0.304 19.329 19.000 0.042 0.000 1.161 1264 A HN -0.042 nan 8.150 nan 0.000 0.497 1265 P HA 0.037 nan 4.420 nan 0.000 0.273 1265 P C -0.060 177.277 177.300 0.062 0.000 1.250 1265 P CA -0.087 63.054 63.100 0.069 0.000 0.793 1265 P CB 0.289 32.021 31.700 0.053 0.000 1.011 1266 N N -1.219 117.513 118.700 0.053 0.000 2.725 1266 N HA -0.157 4.584 4.740 0.000 0.000 0.249 1266 N C -0.553 174.997 175.510 0.067 0.000 1.103 1266 N CA 0.212 53.282 53.050 0.034 0.000 0.707 1266 N CB -0.364 38.133 38.487 0.017 0.000 1.043 1266 N HN 0.416 nan 8.380 nan 0.000 0.553 1267 Q N -0.441 119.433 119.800 0.122 0.000 2.351 1267 Q HA 0.549 4.889 4.340 0.000 0.000 0.273 1267 Q C -2.390 173.760 176.000 0.251 0.000 1.077 1267 Q CA -1.451 54.442 55.803 0.148 0.000 0.843 1267 Q CB 1.429 30.247 28.738 0.133 0.000 1.367 1267 Q HN 0.126 nan 8.270 nan 0.000 0.449 1268 P HA 0.132 nan 4.420 nan 0.000 0.275 1268 P C -0.996 176.438 177.300 0.224 0.000 1.266 1268 P CA -0.282 62.992 63.100 0.289 0.000 0.793 1268 P CB 0.362 32.180 31.700 0.196 0.000 1.074 1269 A N 1.302 124.221 122.820 0.166 0.000 2.511 1269 A HA 0.099 4.419 4.320 0.000 0.000 0.242 1269 A C 0.057 177.737 177.584 0.161 0.000 1.069 1269 A CA 0.079 52.091 52.037 -0.042 0.000 0.763 1269 A CB -0.487 18.544 19.000 0.052 0.000 1.001 1269 A HN 0.371 nan 8.150 nan 0.000 0.498 1270 Q N 1.980 121.829 119.800 0.083 0.000 2.322 1270 Q HA 0.364 4.705 4.340 0.000 0.000 0.256 1270 Q C -0.494 175.590 176.000 0.140 0.000 0.960 1270 Q CA -0.207 55.705 55.803 0.183 0.000 0.934 1270 Q CB 1.257 30.004 28.738 0.015 0.000 1.200 1270 Q HN 0.562 nan 8.270 nan 0.000 0.435 1271 I N 3.341 124.061 120.570 0.250 0.000 2.392 1271 I HA 0.336 4.507 4.170 0.000 0.000 0.295 1271 I C -0.069 175.980 176.117 -0.113 0.000 0.985 1271 I CA -1.050 60.303 61.300 0.089 0.000 1.221 1271 I CB 1.101 39.209 38.000 0.181 0.000 1.366 1271 I HN 0.407 nan 8.210 nan 0.000 0.467 1272 L N 5.627 126.769 121.223 -0.135 0.000 2.313 1272 L HA 0.476 4.816 4.340 0.000 0.000 0.283 1272 L C 0.101 176.855 176.870 -0.193 0.000 1.013 1272 L CA -0.114 54.615 54.840 -0.186 0.000 0.816 1272 L CB 1.110 43.139 42.059 -0.051 0.000 1.236 1272 L HN 0.525 nan 8.230 nan 0.000 0.419 1276 I N 3.759 124.388 120.570 0.098 0.000 2.352 1276 I HA 0.079 4.249 4.170 0.000 0.000 0.290 1276 I C 1.372 177.547 176.117 0.097 0.000 1.036 1276 I CA 0.054 61.357 61.300 0.006 0.000 1.336 1276 I CB 1.047 39.057 38.000 0.017 0.000 1.407 1276 I HN 1.006 nan 8.210 nan 0.000 0.497 1277 N N 4.203 122.886 118.700 -0.029 0.000 2.037 1277 N HA -0.256 4.484 4.740 0.000 0.000 0.196 1277 N C 1.748 177.272 175.510 0.023 0.000 1.034 1277 N CA 2.461 55.534 53.050 0.037 0.000 0.861 1277 N CB 0.362 38.777 38.487 -0.120 0.000 1.039 1277 N HN 0.730 nan 8.380 nan 0.000 0.427 1278 S N 0.002 115.723 115.700 0.036 0.000 2.382 1278 S HA -0.111 4.360 4.470 0.000 0.000 0.228 1278 S C 1.704 176.306 174.600 0.003 0.000 1.027 1278 S CA 1.057 59.293 58.200 0.060 0.000 0.991 1278 S CB -0.391 62.923 63.200 0.189 0.000 0.823 1278 S HN 0.422 nan 8.310 nan 0.000 0.469 1279 E N 0.579 120.792 120.200 0.022 0.000 2.106 1279 E HA -0.041 4.309 4.350 0.000 0.000 0.192 1279 E C 2.174 178.730 176.600 -0.073 0.000 0.984 1279 E CA 1.095 57.497 56.400 0.005 0.000 0.806 1279 E CB -0.234 29.480 29.700 0.023 0.000 0.750 1279 E HN 0.453 nan 8.360 nan 0.000 0.458 1280 M N 0.942 120.477 119.600 -0.109 0.000 2.132 1280 M HA -0.125 4.355 4.480 0.000 0.000 0.263 1280 M C 1.974 178.109 176.300 -0.276 0.000 1.065 1280 M CA 1.460 56.600 55.300 -0.267 0.000 1.122 1280 M CB -0.321 31.952 32.600 -0.544 0.000 1.365 1280 M HN 0.148 nan 8.290 nan 0.000 0.411 1281 L N 0.192 121.211 121.223 -0.340 0.000 2.083 1281 L HA -0.210 4.130 4.340 0.000 0.000 0.209 1281 L C 2.423 179.023 176.870 -0.449 0.000 1.083 1281 L CA 1.503 56.027 54.840 -0.528 0.000 0.752 1281 L CB -0.767 40.657 42.059 -1.059 0.000 0.899 1281 L HN 0.309 nan 8.230 nan 0.000 0.433 1282 E N 0.701 120.728 120.200 -0.288 0.000 2.072 1282 E HA -0.172 4.178 4.350 0.000 0.000 0.190 1282 E C 2.256 178.834 176.600 -0.036 0.000 0.982 1282 E CA 1.307 57.708 56.400 0.002 0.000 0.803 1282 E CB 0.041 29.812 29.700 0.119 0.000 0.755 1282 E HN 0.243 nan 8.360 nan 0.000 0.453 1283 R N -0.619 119.831 120.500 -0.083 0.000 2.092 1283 R HA -0.077 4.263 4.340 0.000 0.000 0.231 1283 R C 2.323 178.571 176.300 -0.086 0.000 1.119 1283 R CA 1.562 57.615 56.100 -0.079 0.000 0.970 1283 R CB -0.355 29.884 30.300 -0.101 0.000 0.864 1283 R HN 0.256 nan 8.270 nan 0.000 0.440 1284 M N 1.052 120.580 119.600 -0.119 0.000 2.175 1284 M HA -0.112 4.368 4.480 0.000 0.000 0.264 1284 M C 2.068 178.309 176.300 -0.099 0.000 1.063 1284 M CA 1.745 56.983 55.300 -0.104 0.000 1.119 1284 M CB -0.138 32.386 32.600 -0.127 0.000 1.377 1284 M HN 0.084 nan 8.290 nan 0.000 0.415 1285 S N -1.004 114.638 115.700 -0.096 0.000 2.469 1285 S HA -0.109 4.361 4.470 0.000 0.000 0.238 1285 S C 1.605 176.136 174.600 -0.116 0.000 0.998 1285 S CA 1.037 59.175 58.200 -0.104 0.000 0.957 1285 S CB -0.573 62.621 63.200 -0.010 0.000 0.764 1285 S HN 0.632 nan 8.310 nan 0.000 0.514 1286 K N 0.907 121.257 120.400 -0.083 0.000 2.414 1286 K HA 0.316 4.636 4.320 0.000 0.000 0.204 1286 K C -0.496 176.056 176.600 -0.080 0.000 1.026 1286 K CA -0.142 56.097 56.287 -0.081 0.000 1.108 1286 K CB 0.850 33.319 32.500 -0.051 0.000 0.855 1286 K HN 0.180 nan 8.250 nan 0.000 0.517 1287 S N -0.037 115.618 115.700 -0.075 0.000 2.489 1287 S HA 0.226 4.696 4.470 0.000 0.000 0.291 1287 S C 1.214 175.763 174.600 -0.084 0.000 1.151 1287 S CA -0.758 57.418 58.200 -0.040 0.000 1.082 1287 S CB 1.696 64.900 63.200 0.008 0.000 1.019 1287 S HN 0.395 nan 8.310 nan 0.000 0.492 1288 G N 1.780 110.524 108.800 -0.092 0.000 2.440 1288 G HA2 -0.040 3.920 3.960 0.000 0.000 0.218 1288 G HA3 -0.040 3.920 3.960 0.000 0.000 0.218 1288 G C -0.107 174.332 174.900 -0.768 0.000 1.154 1288 G CA 0.987 45.865 45.100 -0.370 0.000 0.767 1288 G HN 0.554 nan 8.290 nan 0.000 0.552 1289 F N -0.826 119.230 119.950 0.177 0.000 2.574 1289 F HA 0.609 5.136 4.527 0.000 0.000 0.313 1289 F C 0.334 176.226 175.800 0.154 0.000 1.130 1289 F CA -1.053 57.011 58.000 0.106 0.000 0.936 1289 F CB 1.957 41.022 39.000 0.108 0.000 1.219 1289 F HN 0.136 nan 8.300 nan 0.000 0.445 1290 G N 1.464 110.343 108.800 0.132 0.000 2.388 1290 G HA2 0.590 4.550 3.960 0.000 0.000 0.330 1290 G HA3 0.590 4.550 3.960 0.000 0.000 0.330 1290 G C -2.008 172.970 174.900 0.131 0.000 1.142 1290 G CA -0.535 44.678 45.100 0.189 0.000 0.908 1290 G HN 0.545 nan 8.290 nan 0.000 0.473 1291 Y N 0.572 120.965 120.300 0.155 0.000 2.364 1291 Y HA 0.491 5.041 4.550 0.000 0.000 0.340 1291 Y C 0.246 176.134 175.900 -0.020 0.000 0.975 1291 Y CA -0.882 57.321 58.100 0.171 0.000 1.089 1291 Y CB 2.712 41.343 38.460 0.284 0.000 1.192 1291 Y HN 0.292 nan 8.280 nan 0.000 0.454 1292 Q N 4.649 124.556 119.800 0.178 0.000 2.533 1292 Q HA 0.328 4.668 4.340 0.000 0.000 0.251 1292 Q C -1.068 174.953 176.000 0.034 0.000 0.966 1292 Q CA -0.151 55.563 55.803 -0.148 0.000 0.714 1292 Q CB 1.293 29.835 28.738 -0.327 0.000 1.284 1292 Q HN 0.949 nan 8.270 nan 0.000 0.478 1293 L N 1.443 122.693 121.223 0.045 0.000 2.783 1293 L HA 0.272 4.613 4.340 0.000 0.000 0.236 1293 L C 0.481 177.354 176.870 0.005 0.000 1.225 1293 L CA -0.245 54.698 54.840 0.172 0.000 1.026 1293 L CB 0.346 42.514 42.059 0.181 0.000 1.314 1293 L HN 0.269 nan 8.230 nan 0.000 0.489 1294 S N 2.043 117.738 115.700 -0.008 0.000 2.546 1294 S HA 0.037 4.507 4.470 0.000 0.000 0.290 1294 S C 0.703 175.307 174.600 0.006 0.000 1.290 1294 S CA 0.245 58.483 58.200 0.064 0.000 1.069 1294 S CB 0.169 63.469 63.200 0.167 0.000 0.846 1294 S HN 0.477 nan 8.310 nan 0.000 0.495 1295 K N 2.462 122.801 120.400 -0.101 0.000 3.253 1295 K HA 0.346 4.666 4.320 0.000 0.000 0.174 1295 K C -0.819 175.741 176.600 -0.066 0.000 1.071 1295 K CA -0.417 55.677 56.287 -0.320 0.000 0.836 1295 K CB -0.100 31.704 32.500 -1.160 0.000 0.922 1295 K HN 0.340 nan 8.250 nan 0.000 0.565 1296 L N 1.252 122.449 121.223 -0.043 0.000 2.467 1296 L HA 0.078 4.419 4.340 0.000 0.000 0.270 1296 L C 0.899 177.775 176.870 0.011 0.000 1.205 1296 L CA -0.411 54.337 54.840 -0.153 0.000 0.828 1296 L CB 0.248 42.061 42.059 -0.411 0.000 1.101 1296 L HN 0.555 nan 8.230 nan 0.000 0.479 1297 N N 1.757 120.519 118.700 0.103 0.000 2.458 1297 N HA -0.105 4.636 4.740 0.000 0.000 0.258 1297 N C 0.803 176.288 175.510 -0.042 0.000 1.219 1297 N CA 0.221 53.292 53.050 0.036 0.000 0.902 1297 N CB 0.989 39.465 38.487 -0.018 0.000 1.076 1297 N HN 0.700 nan 8.380 nan 0.000 0.455 1298 Q N 3.931 123.703 119.800 -0.047 0.000 2.217 1298 Q HA -0.257 4.083 4.340 0.000 0.000 0.209 1298 Q C 1.506 177.430 176.000 -0.126 0.000 0.988 1298 Q CA 2.022 57.791 55.803 -0.058 0.000 0.878 1298 Q CB -0.020 28.695 28.738 -0.039 0.000 0.909 1298 Q HN 0.737 nan 8.270 nan 0.000 0.424 1299 K N -1.081 119.165 120.400 -0.256 0.000 2.281 1299 K HA -0.185 4.135 4.320 0.000 0.000 0.203 1299 K C 0.725 177.127 176.600 -0.329 0.000 1.046 1299 K CA 1.501 57.587 56.287 -0.335 0.000 0.938 1299 K CB -0.219 31.989 32.500 -0.487 0.000 0.737 1299 K HN 0.343 nan 8.250 nan 0.000 0.458 1300 Y N 1.300 121.544 120.300 -0.092 0.000 2.482 1300 Y HA 0.309 4.860 4.550 0.000 0.000 0.270 1300 Y C 0.576 176.396 175.900 -0.133 0.000 1.152 1300 Y CA -0.346 57.682 58.100 -0.120 0.000 1.292 1300 Y CB 0.286 38.554 38.460 -0.318 0.000 1.070 1300 Y HN -0.109 nan 8.280 nan 0.000 0.528 1301 L N 0.197 121.423 121.223 0.005 0.000 2.295 1301 L HA 0.391 4.731 4.340 0.000 0.000 0.285 1301 L C 0.552 177.429 176.870 0.012 0.000 1.035 1301 L CA -0.043 54.791 54.840 -0.010 0.000 0.806 1301 L CB 2.026 44.074 42.059 -0.018 0.000 1.214 1301 L HN 0.049 nan 8.230 nan 0.000 0.426 1302 Q N 1.426 121.242 119.800 0.026 0.000 2.006 1302 Q HA 0.294 4.634 4.340 0.000 0.000 0.158 1302 Q C 0.964 176.994 176.000 0.051 0.000 0.530 1302 Q CA -0.135 55.691 55.803 0.037 0.000 0.784 1302 Q CB 0.769 29.536 28.738 0.048 0.000 1.031 1302 Q HN 0.563 nan 8.270 nan 0.000 0.368 1303 R N -0.644 119.884 120.500 0.046 0.000 2.544 1303 R HA 0.387 4.727 4.340 0.000 0.000 0.303 1303 R C -0.438 175.911 176.300 0.081 0.000 0.939 1303 R CA 0.021 56.177 56.100 0.095 0.000 1.102 1303 R CB 1.540 31.852 30.300 0.021 0.000 1.440 1303 R HN -0.023 nan 8.270 nan 0.000 0.532 1304 S N 2.215 117.911 115.700 -0.007 0.000 2.430 1304 S HA 0.250 4.721 4.470 0.000 0.000 0.282 1304 S C 0.160 174.726 174.600 -0.056 0.000 1.186 1304 S CA -0.104 58.055 58.200 -0.068 0.000 1.060 1304 S CB 0.497 63.626 63.200 -0.119 0.000 0.966 1304 S HN 0.145 nan 8.310 nan 0.000 0.501 1305 L N 2.877 124.088 121.223 -0.020 0.000 2.454 1305 L HA 0.407 4.747 4.340 0.000 0.000 0.256 1305 L C 0.823 177.703 176.870 0.017 0.000 1.136 1305 L CA -0.614 54.186 54.840 -0.067 0.000 0.804 1305 L CB 0.646 42.640 42.059 -0.109 0.000 1.181 1305 L HN 0.545 nan 8.230 nan 0.000 0.469 1306 E N -0.712 119.661 120.200 0.289 0.000 2.232 1306 E HA 0.129 4.479 4.350 0.000 0.000 0.265 1306 E C 0.027 176.616 176.600 -0.017 0.000 1.001 1306 E CA -0.497 55.934 56.400 0.050 0.000 0.870 1306 E CB 0.982 30.715 29.700 0.055 0.000 1.175 1306 E HN 0.357 nan 8.360 nan 0.000 0.407 1307 Y N 0.624 120.986 120.300 0.102 0.000 2.207 1307 Y HA -0.269 4.281 4.550 0.000 0.000 0.287 1307 Y C 2.778 178.723 175.900 0.076 0.000 1.156 1307 Y CA 1.870 60.035 58.100 0.109 0.000 1.182 1307 Y CB -0.284 38.247 38.460 0.119 0.000 0.979 1307 Y HN 0.629 nan 8.280 nan 0.000 0.521 1308 T N -3.157 111.467 114.554 0.117 0.000 2.881 1308 T HA -0.205 4.145 4.350 0.000 0.000 0.270 1308 T C 1.530 176.212 174.700 -0.030 0.000 1.068 1308 T CA 1.584 63.682 62.100 -0.003 0.000 1.131 1308 T CB -0.449 68.325 68.868 -0.157 0.000 0.871 1308 T HN 0.396 nan 8.240 nan 0.000 0.479 1309 H N 1.703 120.731 119.070 -0.070 0.000 2.293 1309 H HA 0.114 4.670 4.556 0.000 0.000 0.300 1309 H C 2.391 177.815 175.328 0.161 0.000 1.082 1309 H CA 1.562 57.511 56.048 -0.165 0.000 1.308 1309 H CB -0.457 29.075 29.762 -0.384 0.000 1.375 1309 H HN 0.351 nan 8.280 nan 0.000 0.495 1310 L N 0.543 121.934 121.223 0.280 0.000 2.083 1310 L HA -0.161 4.179 4.340 0.000 0.000 0.209 1310 L C 2.377 179.412 176.870 0.276 0.000 1.083 1310 L CA 1.188 56.193 54.840 0.274 0.000 0.752 1310 L CB -0.466 41.723 42.059 0.217 0.000 0.899 1310 L HN 0.264 nan 8.230 nan 0.000 0.433 1311 E N 0.294 120.638 120.200 0.240 0.000 2.153 1311 E HA -0.185 4.165 4.350 0.000 0.000 0.194 1311 E C 2.357 179.053 176.600 0.160 0.000 0.988 1311 E CA 0.925 57.440 56.400 0.191 0.000 0.811 1311 E CB -0.048 29.734 29.700 0.137 0.000 0.746 1311 E HN 0.467 nan 8.360 nan 0.000 0.466 1312 L N -0.123 121.208 121.223 0.179 0.000 2.005 1312 L HA -0.087 4.254 4.340 0.000 0.000 0.207 1312 L C 2.616 179.572 176.870 0.144 0.000 1.072 1312 L CA 1.301 56.225 54.840 0.139 0.000 0.744 1312 L CB -0.840 41.340 42.059 0.202 0.000 0.895 1312 L HN 0.247 nan 8.230 nan 0.000 0.433 1313 G N -0.344 108.599 108.800 0.238 0.000 2.418 1313 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 1313 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 1313 G C 1.741 176.904 174.900 0.438 0.000 1.158 1313 G CA 0.817 46.081 45.100 0.273 0.000 0.771 1313 G HN 0.463 nan 8.290 nan 0.000 0.545 1314 A N 0.284 123.360 122.820 0.428 0.000 1.968 1314 A HA -0.048 4.272 4.320 0.000 0.000 0.217 1314 A C 2.522 180.432 177.584 0.542 0.000 1.169 1314 A CA 1.829 54.207 52.037 0.569 0.000 0.638 1314 A CB -0.874 18.382 19.000 0.428 0.000 0.812 1314 A HN 0.933 nan 8.150 nan 0.000 0.446 1315 C N -2.751 116.725 119.300 0.293 0.000 2.618 1315 C HA 0.530 4.990 4.460 0.000 0.000 0.264 1315 C C 1.756 176.665 174.990 -0.136 0.000 1.334 1315 C CA 0.236 59.356 59.018 0.171 0.000 1.731 1315 C CB -0.818 26.941 27.740 0.031 0.000 1.852 1315 C HN 1.616 nan 8.230 nan 0.000 0.566 1316 G N 0.461 109.024 108.800 -0.395 0.000 2.134 1316 G HA2 -0.126 3.834 3.960 0.000 0.000 0.209 1316 G HA3 -0.126 3.834 3.960 0.000 0.000 0.209 1316 G C 0.060 174.538 174.900 -0.702 0.000 0.993 1316 G CA 0.448 44.773 45.100 -1.292 0.000 0.669 1316 G HN 0.848 nan 8.290 nan 0.000 0.519 1317 T N -0.057 114.282 114.554 -0.359 0.000 2.923 1317 T HA 0.667 5.018 4.350 0.000 0.000 0.281 1317 T C 0.546 175.055 174.700 -0.318 0.000 0.995 1317 T CA -0.761 61.182 62.100 -0.261 0.000 0.985 1317 T CB 0.568 69.344 68.868 -0.153 0.000 1.114 1317 T HN 0.185 nan 8.240 nan 0.000 0.548 1318 I N 3.729 124.069 120.570 -0.384 0.000 2.352 1318 I HA 0.307 4.478 4.170 0.000 0.000 0.290 1318 I C -2.182 173.777 176.117 -0.264 0.000 1.036 1318 I CA -2.704 58.358 61.300 -0.397 0.000 1.336 1318 I CB 0.860 38.612 38.000 -0.414 0.000 1.407 1318 I HN 0.452 nan 8.210 nan 0.000 0.497 1319 P HA 0.180 nan 4.420 nan 0.000 0.281 1319 P C -0.659 176.238 177.300 -0.671 0.000 1.252 1319 P CA -0.195 62.589 63.100 -0.525 0.000 0.778 1319 P CB 0.899 32.080 31.700 -0.864 0.000 0.895 1320 V N 5.539 125.183 119.914 -0.450 0.000 2.326 1320 V HA 0.394 4.514 4.120 0.000 0.000 0.281 1320 V C -0.314 175.841 176.094 0.102 0.000 1.015 1320 V CA -0.280 61.812 62.300 -0.348 0.000 0.823 1320 V CB -0.013 31.449 31.823 -0.601 0.000 1.009 1320 V HN 0.361 nan 8.190 nan 0.000 0.436 1321 F N 1.575 121.470 119.950 -0.092 0.000 2.557 1321 F HA 0.476 5.003 4.527 0.000 0.000 0.336 1321 F C 0.194 176.247 175.800 0.423 0.000 1.058 1321 F CA -2.290 55.805 58.000 0.159 0.000 0.988 1321 F CB 1.189 40.227 39.000 0.062 0.000 1.275 1321 F HN 0.472 nan 8.300 nan 0.000 0.488 1322 W N 3.784 125.404 121.300 0.534 0.000 2.356 1322 W HA 0.116 4.776 4.660 0.000 0.000 0.311 1322 W C 1.184 178.020 176.519 0.527 0.000 1.328 1322 W CA -0.336 57.278 57.345 0.448 0.000 1.251 1322 W CB 1.050 30.690 29.460 0.299 0.000 1.280 1322 W HN 0.700 nan 8.180 nan 0.000 0.524 1323 K N 2.492 122.934 120.400 0.071 0.000 2.015 1323 K HA -0.287 4.034 4.320 0.000 0.000 0.216 1323 K C 2.139 178.676 176.600 -0.106 0.000 1.052 1323 K CA 2.856 59.142 56.287 -0.001 0.000 0.937 1323 K CB -0.356 32.037 32.500 -0.179 0.000 0.719 1323 K HN 0.543 nan 8.250 nan 0.000 0.446 1324 S N -0.533 115.106 115.700 -0.102 0.000 2.440 1324 S HA -0.125 4.345 4.470 0.000 0.000 0.238 1324 S C 1.863 176.556 174.600 0.154 0.000 1.010 1324 S CA 1.726 59.965 58.200 0.064 0.000 0.972 1324 S CB -0.545 62.779 63.200 0.206 0.000 0.774 1324 S HN 0.348 nan 8.310 nan 0.000 0.501 1325 T N 1.839 116.594 114.554 0.336 0.000 2.770 1325 T HA 0.092 4.442 4.350 0.000 0.000 0.263 1325 T C 2.039 176.790 174.700 0.085 0.000 1.039 1325 T CA 1.331 63.590 62.100 0.265 0.000 1.142 1325 T CB -1.042 68.070 68.868 0.406 0.000 0.868 1325 T HN 0.633 nan 8.240 nan 0.000 0.435 1326 G N 1.082 109.859 108.800 -0.037 0.000 2.422 1326 G HA2 -0.156 3.804 3.960 0.000 0.000 0.218 1326 G HA3 -0.156 3.804 3.960 0.000 0.000 0.218 1326 G C 1.432 176.053 174.900 -0.465 0.000 1.140 1326 G CA 0.521 45.297 45.100 -0.540 0.000 0.775 1326 G HN 0.508 nan 8.290 nan 0.000 0.545 1327 E N 0.139 120.119 120.200 -0.365 0.000 2.152 1327 E HA -0.037 4.313 4.350 0.000 0.000 0.192 1327 E C 1.880 178.409 176.600 -0.118 0.000 0.983 1327 E CA 0.653 56.905 56.400 -0.246 0.000 0.818 1327 E CB -0.067 29.514 29.700 -0.198 0.000 0.758 1327 E HN 0.535 nan 8.360 nan 0.000 0.467 1328 N N -0.188 118.473 118.700 -0.065 0.000 2.299 1328 N HA 0.111 4.851 4.740 0.000 0.000 0.187 1328 N C -0.164 175.342 175.510 -0.008 0.000 1.099 1328 N CA -0.239 52.797 53.050 -0.024 0.000 0.867 1328 N CB 0.608 39.095 38.487 -0.001 0.000 0.974 1328 N HN -0.031 nan 8.380 nan 0.000 0.477 1329 L N 1.189 122.407 121.223 -0.008 0.000 2.343 1329 L HA 0.370 4.710 4.340 0.000 0.000 0.275 1329 L C -0.132 176.769 176.870 0.053 0.000 1.056 1329 L CA -0.542 54.313 54.840 0.024 0.000 0.804 1329 L CB 1.411 43.482 42.059 0.019 0.000 1.203 1329 L HN -0.099 nan 8.230 nan 0.000 0.440 1330 K N 2.424 122.883 120.400 0.100 0.000 2.274 1330 K HA 0.320 4.640 4.320 0.000 0.000 0.262 1330 K C -0.756 175.990 176.600 0.243 0.000 0.961 1330 K CA -0.758 55.620 56.287 0.150 0.000 0.833 1330 K CB 1.799 34.366 32.500 0.111 0.000 1.102 1330 K HN 0.188 nan 8.250 nan 0.000 0.436 1331 F N 3.481 123.473 119.950 0.070 0.000 2.608 1331 F HA -0.035 4.492 4.527 0.000 0.000 0.380 1331 F C 1.694 177.560 175.800 0.110 0.000 1.083 1331 F CA -0.028 57.994 58.000 0.036 0.000 1.266 1331 F CB 0.474 39.439 39.000 -0.059 0.000 1.076 1331 F HN 0.578 nan 8.300 nan 0.000 0.574 1332 R N 3.429 123.799 120.500 -0.217 0.000 2.105 1332 R HA -0.114 4.227 4.340 0.000 0.000 0.239 1332 R C 1.626 177.611 176.300 -0.525 0.000 1.135 1332 R CA 1.956 57.801 56.100 -0.426 0.000 0.967 1332 R CB -0.266 29.690 30.300 -0.574 0.000 0.861 1332 R HN 0.650 nan 8.270 nan 0.000 0.442 1333 V N 1.361 120.716 119.914 -0.930 0.000 2.307 1333 V HA -0.196 3.924 4.120 0.000 0.000 0.245 1333 V C 1.151 177.129 176.094 -0.194 0.000 1.045 1333 V CA 2.230 64.197 62.300 -0.555 0.000 1.024 1333 V CB -0.376 31.107 31.823 -0.567 0.000 0.651 1333 V HN 0.622 nan 8.190 nan 0.000 0.449 1334 D N -2.900 117.487 120.400 -0.021 0.000 2.540 1334 D HA 0.079 4.720 4.640 0.000 0.000 0.229 1334 D C 0.507 176.881 176.300 0.123 0.000 1.250 1334 D CA -0.204 53.855 54.000 0.099 0.000 0.817 1334 D CB -0.590 40.328 40.800 0.198 0.000 1.060 1334 D HN 0.285 nan 8.370 nan 0.000 0.508 1335 N N 0.243 119.010 118.700 0.111 0.000 2.741 1335 N HA -0.151 4.589 4.740 0.000 0.000 0.251 1335 N C -0.402 175.203 175.510 0.158 0.000 1.112 1335 N CA 1.530 54.648 53.050 0.114 0.000 0.750 1335 N CB -1.880 36.644 38.487 0.061 0.000 1.119 1335 N HN 0.663 nan 8.380 nan 0.000 0.561 1336 T N -2.180 112.532 114.554 0.262 0.000 2.918 1336 T HA 0.552 4.903 4.350 0.000 0.000 0.283 1336 T C -2.659 172.197 174.700 0.260 0.000 1.001 1336 T CA -1.713 60.524 62.100 0.228 0.000 1.041 1336 T CB 2.267 71.266 68.868 0.218 0.000 1.028 1336 T HN -0.216 nan 8.240 nan 0.000 0.511 1337 P HA 0.109 nan 4.420 nan 0.000 0.266 1337 P C 0.973 178.363 177.300 0.150 0.000 1.195 1337 P CA -0.183 62.956 63.100 0.066 0.000 0.768 1337 P CB 0.337 32.011 31.700 -0.043 0.000 0.838 1338 L N 1.779 123.055 121.223 0.090 0.000 2.131 1338 L HA -0.145 4.195 4.340 0.000 0.000 0.210 1338 L C 2.113 179.000 176.870 0.029 0.000 1.092 1338 L CA 1.973 56.935 54.840 0.203 0.000 0.759 1338 L CB -1.345 40.861 42.059 0.245 0.000 0.903 1338 L HN 0.475 nan 8.230 nan 0.000 0.435 1339 T N -3.541 110.800 114.554 -0.355 0.000 3.035 1339 T HA -0.107 4.243 4.350 0.000 0.000 0.268 1339 T C 1.894 176.461 174.700 -0.222 0.000 1.109 1339 T CA 0.963 62.727 62.100 -0.558 0.000 1.119 1339 T CB -0.347 68.040 68.868 -0.803 0.000 0.900 1339 T HN 0.428 nan 8.240 nan 0.000 0.503 1340 S N 0.178 115.792 115.700 -0.143 0.000 2.561 1340 S HA 0.036 4.507 4.470 0.000 0.000 0.225 1340 S C 0.235 174.637 174.600 -0.330 0.000 0.977 1340 S CA -0.421 57.652 58.200 -0.213 0.000 0.926 1340 S CB -0.615 62.443 63.200 -0.236 0.000 0.769 1340 S HN 0.699 nan 8.310 nan 0.000 0.533 1341 H N 0.802 119.751 119.070 -0.202 0.000 2.525 1341 H HA 0.560 5.116 4.556 0.000 0.000 0.340 1341 H C -0.769 174.394 175.328 -0.276 0.000 1.168 1341 H CA -0.783 55.097 56.048 -0.280 0.000 1.247 1341 H CB 0.763 30.215 29.762 -0.516 0.000 1.568 1341 H HN 0.069 nan 8.280 nan 0.000 0.536 1342 D N 0.707 121.038 120.400 -0.115 0.000 2.563 1342 D HA 0.032 4.672 4.640 0.000 0.000 0.222 1342 D C 0.464 176.651 176.300 -0.188 0.000 1.145 1342 D CA -0.136 53.795 54.000 -0.114 0.000 1.001 1342 D CB -0.039 40.721 40.800 -0.067 0.000 1.049 1342 D HN 0.557 nan 8.370 nan 0.000 0.515 1343 S N 1.008 116.508 115.700 -0.334 0.000 2.528 1343 S HA 0.223 4.694 4.470 0.000 0.000 0.219 1343 S C 1.796 176.239 174.600 -0.262 0.000 0.985 1343 S CA 0.339 58.252 58.200 -0.477 0.000 0.914 1343 S CB 0.216 62.773 63.200 -1.072 0.000 0.776 1343 S HN 0.546 nan 8.310 nan 0.000 0.526 1344 G N 1.135 109.800 108.800 -0.224 0.000 2.199 1344 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 1344 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 1344 G C 0.049 174.756 174.900 -0.320 0.000 0.982 1344 G CA 0.147 45.123 45.100 -0.206 0.000 0.632 1344 G HN 0.576 nan 8.290 nan 0.000 0.529 1345 I N 1.539 121.829 120.570 -0.467 0.000 2.575 1345 I HA 0.342 4.512 4.170 0.000 0.000 0.285 1345 I C 0.836 176.464 176.117 -0.816 0.000 1.085 1345 I CA -0.459 60.371 61.300 -0.783 0.000 1.403 1345 I CB 1.013 38.308 38.000 -1.176 0.000 1.409 1345 I HN -0.002 nan 8.210 nan 0.000 0.557 1346 I N 5.391 125.534 120.570 -0.712 0.000 2.304 1346 I HA 0.094 4.264 4.170 0.000 0.000 0.291 1346 I C -0.820 175.016 176.117 -0.467 0.000 1.018 1346 I CA -0.264 60.761 61.300 -0.458 0.000 1.260 1346 I CB 0.425 38.263 38.000 -0.270 0.000 1.390 1346 I HN 0.490 nan 8.210 nan 0.000 0.475 1347 W N 7.058 128.312 121.300 -0.076 0.000 2.422 1347 W HA 0.223 4.884 4.660 0.000 0.000 0.349 1347 W C 0.258 176.751 176.519 -0.043 0.000 1.062 1347 W CA -0.729 56.603 57.345 -0.022 0.000 1.497 1347 W CB 0.006 29.435 29.460 -0.052 0.000 1.407 1347 W HN 0.307 nan 8.180 nan 0.000 0.393 1348 F N 4.726 124.687 119.950 0.019 0.000 2.593 1348 F HA -0.096 4.431 4.527 0.000 0.000 0.393 1348 F C 0.600 176.245 175.800 -0.259 0.000 1.037 1348 F CA 0.682 58.610 58.000 -0.120 0.000 1.195 1348 F CB 0.218 39.205 39.000 -0.021 0.000 1.034 1348 F HN 0.151 nan 8.300 nan 0.000 0.552 1349 D N 6.030 126.094 120.400 -0.558 0.000 2.392 1349 D HA 0.075 4.715 4.640 0.000 0.000 0.228 1349 D C 0.838 176.812 176.300 -0.543 0.000 1.074 1349 D CA -0.166 53.556 54.000 -0.463 0.000 0.838 1349 D CB 1.175 41.794 40.800 -0.303 0.000 1.067 1349 D HN 0.826 nan 8.370 nan 0.000 0.511 1350 E N 2.658 122.641 120.200 -0.362 0.000 2.118 1350 E HA -0.168 4.182 4.350 0.000 0.000 0.195 1350 E C 0.678 177.259 176.600 -0.033 0.000 0.992 1350 E CA 0.971 57.346 56.400 -0.041 0.000 0.804 1350 E CB 0.236 30.044 29.700 0.180 0.000 0.741 1350 E HN 0.522 nan 8.360 nan 0.000 0.458 1351 N N -0.114 118.543 118.700 -0.072 0.000 2.461 1351 N HA -0.062 4.679 4.740 0.000 0.000 0.188 1351 N C -0.348 175.132 175.510 -0.050 0.000 1.134 1351 N CA 0.131 53.164 53.050 -0.027 0.000 0.878 1351 N CB 0.445 38.919 38.487 -0.021 0.000 0.972 1351 N HN -0.020 nan 8.380 nan 0.000 0.456 1352 D N 0.076 120.402 120.400 -0.124 0.000 3.118 1352 D HA 0.135 4.775 4.640 0.000 0.000 0.259 1352 D C 0.508 176.662 176.300 -0.243 0.000 1.292 1352 D CA -0.158 53.770 54.000 -0.120 0.000 0.784 1352 D CB -0.077 40.662 40.800 -0.102 0.000 1.413 1352 D HN -0.053 nan 8.370 nan 0.000 0.583 1353 M N -0.196 119.226 119.600 -0.297 0.000 2.374 1353 M HA -0.043 4.437 4.480 0.000 0.000 0.264 1353 M C 1.846 177.773 176.300 -0.622 0.000 1.067 1353 M CA 1.006 55.967 55.300 -0.564 0.000 1.103 1353 M CB 0.184 32.488 32.600 -0.494 0.000 1.402 1353 M HN 0.305 nan 8.290 nan 0.000 0.444 1354 E N 0.685 120.680 120.200 -0.342 0.000 2.051 1354 E HA -0.208 4.142 4.350 0.000 0.000 0.192 1354 E C 1.982 178.578 176.600 -0.008 0.000 0.991 1354 E CA 1.976 58.352 56.400 -0.039 0.000 0.799 1354 E CB 0.090 29.921 29.700 0.218 0.000 0.748 1354 E HN 0.531 nan 8.360 nan 0.000 0.449 1355 S N -0.426 115.239 115.700 -0.057 0.000 2.382 1355 S HA -0.163 4.307 4.470 0.000 0.000 0.228 1355 S C 2.103 176.655 174.600 -0.081 0.000 1.027 1355 S CA 1.638 59.805 58.200 -0.054 0.000 0.991 1355 S CB -0.770 62.389 63.200 -0.069 0.000 0.823 1355 S HN 0.225 nan 8.310 nan 0.000 0.469 1356 T N 1.619 116.080 114.554 -0.155 0.000 2.708 1356 T HA -0.002 4.348 4.350 0.000 0.000 0.266 1356 T C 1.293 175.997 174.700 0.008 0.000 1.037 1356 T CA 1.480 63.479 62.100 -0.168 0.000 1.146 1356 T CB -0.578 68.020 68.868 -0.450 0.000 0.865 1356 T HN 0.471 nan 8.240 nan 0.000 0.435 1357 F N 2.152 122.076 119.950 -0.043 0.000 2.293 1357 F HA -0.014 4.513 4.527 0.000 0.000 0.300 1357 F C 2.213 178.014 175.800 0.001 0.000 1.086 1357 F CA 0.841 58.879 58.000 0.063 0.000 1.375 1357 F CB -0.189 38.820 39.000 0.015 0.000 1.045 1357 F HN 0.028 nan 8.300 nan 0.000 0.516 1358 E N 0.052 120.210 120.200 -0.071 0.000 2.072 1358 E HA -0.169 4.181 4.350 0.000 0.000 0.191 1358 E C 2.374 178.873 176.600 -0.169 0.000 0.985 1358 E CA 0.522 56.839 56.400 -0.140 0.000 0.801 1358 E CB -0.429 29.253 29.700 -0.030 0.000 0.750 1358 E HN 0.243 nan 8.360 nan 0.000 0.452 1359 R N 0.959 121.383 120.500 -0.127 0.000 2.081 1359 R HA -0.028 4.312 4.340 0.000 0.000 0.235 1359 R C 2.400 178.616 176.300 -0.139 0.000 1.131 1359 R CA 0.721 56.757 56.100 -0.107 0.000 0.960 1359 R CB -0.702 29.542 30.300 -0.093 0.000 0.856 1359 R HN 0.244 nan 8.270 nan 0.000 0.436 1360 I N 0.742 121.162 120.570 -0.249 0.000 2.286 1360 I HA -0.298 3.873 4.170 0.000 0.000 0.248 1360 I C 2.254 178.160 176.117 -0.351 0.000 1.115 1360 I CA 1.379 62.409 61.300 -0.450 0.000 1.392 1360 I CB -0.204 37.429 38.000 -0.612 0.000 1.065 1360 I HN 0.125 nan 8.210 nan 0.000 0.418 1361 K N 0.706 120.843 120.400 -0.438 0.000 2.026 1361 K HA -0.186 4.134 4.320 0.000 0.000 0.208 1361 K C 1.989 178.521 176.600 -0.112 0.000 1.048 1361 K CA 1.449 57.537 56.287 -0.332 0.000 0.929 1361 K CB -0.197 32.045 32.500 -0.430 0.000 0.713 1361 K HN 0.376 nan 8.250 nan 0.000 0.439 1362 E N 1.049 121.197 120.200 -0.087 0.000 2.049 1362 E HA -0.202 4.148 4.350 0.000 0.000 0.198 1362 E C 2.122 178.756 176.600 0.057 0.000 1.007 1362 E CA 1.205 57.596 56.400 -0.015 0.000 0.809 1362 E CB -0.192 29.496 29.700 -0.019 0.000 0.749 1362 E HN 0.223 nan 8.360 nan 0.000 0.450 1363 L N 0.765 122.061 121.223 0.122 0.000 2.083 1363 L HA -0.158 4.183 4.340 0.000 0.000 0.209 1363 L C 2.441 179.513 176.870 0.336 0.000 1.083 1363 L CA 0.807 55.809 54.840 0.271 0.000 0.752 1363 L CB -0.247 42.055 42.059 0.405 0.000 0.899 1363 L HN 0.057 nan 8.230 nan 0.000 0.433 1364 S N -1.084 114.811 115.700 0.324 0.000 2.474 1364 S HA -0.086 4.384 4.470 0.000 0.000 0.235 1364 S C 1.774 176.424 174.600 0.084 0.000 0.997 1364 S CA 0.968 59.311 58.200 0.239 0.000 0.949 1364 S CB 0.032 63.375 63.200 0.239 0.000 0.766 1364 S HN 0.316 nan 8.310 nan 0.000 0.517 1365 S N 0.662 116.401 115.700 0.066 0.000 2.554 1365 S HA 0.188 4.658 4.470 0.000 0.000 0.226 1365 S C -0.142 174.477 174.600 0.031 0.000 0.980 1365 S CA -0.256 57.962 58.200 0.031 0.000 0.939 1365 S CB 0.275 63.486 63.200 0.017 0.000 0.832 1365 S HN 0.310 nan 8.310 nan 0.000 0.486 1366 D N 1.052 121.483 120.400 0.053 0.000 2.472 1366 D HA 0.241 4.881 4.640 0.000 0.000 0.248 1366 D C 0.981 177.330 176.300 0.082 0.000 1.271 1366 D CA -0.341 53.692 54.000 0.054 0.000 0.888 1366 D CB 0.296 41.129 40.800 0.055 0.000 1.337 1366 D HN -0.183 nan 8.370 nan 0.000 0.526 1367 R N 1.296 121.819 120.500 0.039 0.000 2.133 1367 R HA -0.188 4.152 4.340 0.000 0.000 0.247 1367 R C 1.683 178.050 176.300 0.111 0.000 1.151 1367 R CA 1.465 57.588 56.100 0.038 0.000 0.971 1367 R CB -0.554 29.734 30.300 -0.020 0.000 0.866 1367 R HN 0.424 nan 8.270 nan 0.000 0.447 1368 A N 1.285 124.152 122.820 0.078 0.000 1.858 1368 A HA -0.145 4.175 4.320 0.000 0.000 0.216 1368 A C 2.238 179.873 177.584 0.086 0.000 1.190 1368 A CA 1.166 53.247 52.037 0.074 0.000 0.617 1368 A CB -0.563 18.465 19.000 0.048 0.000 0.827 1368 A HN 0.229 nan 8.150 nan 0.000 0.443 1369 L N -1.576 119.697 121.223 0.083 0.000 2.046 1369 L HA -0.149 4.192 4.340 0.000 0.000 0.208 1369 L C 2.267 179.186 176.870 0.081 0.000 1.077 1369 L CA 2.361 57.241 54.840 0.067 0.000 0.747 1369 L CB -0.999 41.095 42.059 0.059 0.000 0.896 1369 L HN 0.522 nan 8.230 nan 0.000 0.432 1370 Y N 0.297 120.596 120.300 -0.002 0.000 2.053 1370 Y HA -0.340 4.210 4.550 0.000 0.000 0.277 1370 Y C 2.505 178.393 175.900 -0.020 0.000 1.159 1370 Y CA 2.354 60.439 58.100 -0.025 0.000 1.125 1370 Y CB -0.434 37.994 38.460 -0.054 0.000 0.969 1370 Y HN 0.345 nan 8.280 nan 0.000 0.492 1371 D N -0.373 120.155 120.400 0.213 0.000 2.123 1371 D HA -0.169 4.471 4.640 0.000 0.000 0.196 1371 D C 2.268 178.618 176.300 0.084 0.000 0.992 1371 D CA 1.383 55.480 54.000 0.162 0.000 0.833 1371 D CB -0.158 40.749 40.800 0.180 0.000 0.954 1371 D HN 0.352 nan 8.370 nan 0.000 0.455 1372 R N 0.246 120.780 120.500 0.057 0.000 2.073 1372 R HA -0.104 4.236 4.340 0.000 0.000 0.234 1372 R C 2.157 178.464 176.300 0.011 0.000 1.134 1372 R CA 1.009 57.132 56.100 0.038 0.000 0.952 1372 R CB -0.151 30.166 30.300 0.028 0.000 0.850 1372 R HN 0.272 nan 8.270 nan 0.000 0.433 1373 E N 0.664 120.837 120.200 -0.044 0.000 2.077 1373 E HA -0.202 4.148 4.350 0.000 0.000 0.193 1373 E C 2.018 178.559 176.600 -0.098 0.000 0.989 1373 E CA 1.365 57.709 56.400 -0.093 0.000 0.800 1373 E CB -0.159 29.451 29.700 -0.150 0.000 0.746 1373 E HN 0.481 nan 8.360 nan 0.000 0.452 1374 R N 0.908 121.329 120.500 -0.132 0.000 2.115 1374 R HA -0.001 4.339 4.340 0.000 0.000 0.226 1374 R C 1.841 178.286 176.300 0.241 0.000 1.100 1374 R CA 0.900 56.977 56.100 -0.037 0.000 0.980 1374 R CB -0.227 29.964 30.300 -0.180 0.000 0.875 1374 R HN -0.046 nan 8.270 nan 0.000 0.445 1375 E N 1.726 122.061 120.200 0.225 0.000 2.153 1375 E HA -0.138 4.212 4.350 0.000 0.000 0.194 1375 E C 1.692 178.419 176.600 0.211 0.000 0.988 1375 E CA 1.312 57.844 56.400 0.219 0.000 0.811 1375 E CB 0.027 29.794 29.700 0.112 0.000 0.746 1375 E HN 0.502 nan 8.360 nan 0.000 0.466 1376 K N 0.571 121.051 120.400 0.134 0.000 2.025 1376 K HA -0.035 4.285 4.320 0.000 0.000 0.207 1376 K C 2.215 178.912 176.600 0.161 0.000 1.049 1376 K CA 1.144 57.499 56.287 0.113 0.000 0.933 1376 K CB -0.151 32.364 32.500 0.024 0.000 0.714 1376 K HN 0.022 nan 8.250 nan 0.000 0.438 1377 A N 0.970 123.866 122.820 0.126 0.000 1.902 1377 A HA -0.221 4.099 4.320 0.000 0.000 0.217 1377 A C 2.123 179.884 177.584 0.296 0.000 1.181 1377 A CA 1.459 53.584 52.037 0.146 0.000 0.623 1377 A CB -0.853 18.152 19.000 0.009 0.000 0.818 1377 A HN 0.461 nan 8.150 nan 0.000 0.443 1378 Y N 0.558 120.999 120.300 0.236 0.000 2.145 1378 Y HA -0.220 4.330 4.550 0.000 0.000 0.286 1378 Y C 2.338 178.393 175.900 0.258 0.000 1.145 1378 Y CA 2.452 60.712 58.100 0.267 0.000 1.148 1378 Y CB -0.217 38.384 38.460 0.235 0.000 0.981 1378 Y HN 0.391 nan 8.280 nan 0.000 0.507 1379 E N -0.075 120.271 120.200 0.244 0.000 2.106 1379 E HA -0.197 4.153 4.350 0.000 0.000 0.192 1379 E C 1.933 178.698 176.600 0.276 0.000 0.984 1379 E CA 1.339 57.859 56.400 0.201 0.000 0.806 1379 E CB -0.793 29.057 29.700 0.250 0.000 0.750 1379 E HN 0.517 nan 8.360 nan 0.000 0.458 1380 F N 0.647 120.674 119.950 0.128 0.000 2.075 1380 F HA -0.089 4.438 4.527 0.000 0.000 0.297 1380 F C 1.774 177.707 175.800 0.221 0.000 1.113 1380 F CA 1.503 59.570 58.000 0.113 0.000 1.218 1380 F CB -0.364 38.626 39.000 -0.016 0.000 0.984 1380 F HN 0.038 nan 8.300 nan 0.000 0.472 1381 L N -1.049 120.279 121.223 0.176 0.000 2.083 1381 L HA -0.239 4.101 4.340 0.000 0.000 0.209 1381 L C 2.407 179.328 176.870 0.086 0.000 1.083 1381 L CA 1.583 56.495 54.840 0.121 0.000 0.752 1381 L CB -1.136 41.055 42.059 0.220 0.000 0.899 1381 L HN 0.274 nan 8.230 nan 0.000 0.433 1382 Y N 1.032 121.279 120.300 -0.089 0.000 2.070 1382 Y HA -0.298 4.253 4.550 0.000 0.000 0.280 1382 Y C 2.807 178.783 175.900 0.127 0.000 1.148 1382 Y CA 1.635 59.685 58.100 -0.084 0.000 1.125 1382 Y CB -0.294 38.002 38.460 -0.274 0.000 0.975 1382 Y HN 0.124 nan 8.280 nan 0.000 0.492 1383 Q N -0.554 119.265 119.800 0.033 0.000 2.135 1383 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 1383 Q C 2.343 178.159 176.000 -0.308 0.000 0.981 1383 Q CA 2.006 57.709 55.803 -0.166 0.000 0.856 1383 Q CB -0.831 27.930 28.738 0.038 0.000 0.902 1383 Q HN 0.728 nan 8.270 nan 0.000 0.425 1384 H N -0.290 118.619 119.070 -0.269 0.000 2.363 1384 H HA 0.009 4.566 4.556 0.000 0.000 0.301 1384 H C 0.737 175.917 175.328 -0.246 0.000 1.074 1384 H CA 1.131 56.971 56.048 -0.347 0.000 1.354 1384 H CB 0.618 30.205 29.762 -0.290 0.000 1.397 1384 H HN 0.199 nan 8.280 nan 0.000 0.516 1385 Q N 0.828 120.485 119.800 -0.239 0.000 2.038 1385 Q HA 0.098 4.438 4.340 0.000 0.000 0.240 1385 Q C -1.198 174.715 176.000 -0.145 0.000 0.831 1385 Q CA -0.266 55.377 55.803 -0.268 0.000 1.068 1385 Q CB 0.848 29.450 28.738 -0.227 0.000 1.241 1385 Q HN 0.299 nan 8.270 nan 0.000 0.435 1386 D N -1.250 119.082 120.400 -0.113 0.000 2.372 1386 D HA 0.090 4.730 4.640 0.000 0.000 0.243 1386 D C 0.806 177.006 176.300 -0.166 0.000 1.121 1386 D CA 0.361 54.282 54.000 -0.132 0.000 0.898 1386 D CB 1.239 41.824 40.800 -0.359 0.000 1.202 1386 D HN 0.007 nan 8.370 nan 0.000 0.428 1387 S N 0.888 116.554 115.700 -0.057 0.000 2.400 1387 S HA -0.213 4.257 4.470 0.000 0.000 0.232 1387 S C 2.009 176.608 174.600 -0.001 0.000 1.025 1387 S CA 1.230 59.442 58.200 0.019 0.000 0.993 1387 S CB -0.382 63.037 63.200 0.365 0.000 0.808 1387 S HN 0.679 nan 8.310 nan 0.000 0.478 1388 S N 0.731 116.356 115.700 -0.125 0.000 2.442 1388 S HA -0.047 4.423 4.470 0.000 0.000 0.236 1388 S C 1.377 175.813 174.600 -0.274 0.000 1.007 1388 S CA 0.907 58.998 58.200 -0.183 0.000 0.965 1388 S CB -0.484 62.461 63.200 -0.425 0.000 0.773 1388 S HN 0.442 nan 8.310 nan 0.000 0.504 1389 F N 0.996 120.876 119.950 -0.116 0.000 2.298 1389 F HA 0.300 4.828 4.527 0.000 0.000 0.282 1389 F C 2.884 178.561 175.800 -0.204 0.000 1.045 1389 F CA -0.844 57.056 58.000 -0.167 0.000 1.280 1389 F CB -1.299 37.541 39.000 -0.265 0.000 1.114 1389 F HN 0.227 nan 8.300 nan 0.000 0.546 1390 C N 0.201 119.440 119.300 -0.101 0.000 2.432 1390 C HA -0.180 4.280 4.460 0.000 0.000 0.277 1390 C C 2.739 177.510 174.990 -0.365 0.000 1.249 1390 C CA 0.767 59.629 59.018 -0.260 0.000 1.725 1390 C CB -1.538 25.973 27.740 -0.381 0.000 2.028 1390 C HN 0.382 nan 8.230 nan 0.000 0.477 1391 F N 1.173 120.814 119.950 -0.515 0.000 2.365 1391 F HA -0.115 4.412 4.527 0.000 0.000 0.300 1391 F C 2.483 177.696 175.800 -0.978 0.000 1.090 1391 F CA 1.411 58.806 58.000 -1.008 0.000 1.408 1391 F CB -0.239 37.563 39.000 -1.997 0.000 1.060 1391 F HN 0.249 nan 8.300 nan 0.000 0.534 1392 K N 0.887 121.086 120.400 -0.334 0.000 2.062 1392 K HA -0.214 4.106 4.320 0.000 0.000 0.205 1392 K C 2.064 178.699 176.600 0.058 0.000 1.051 1392 K CA 1.458 57.741 56.287 -0.006 0.000 0.941 1392 K CB -0.193 32.392 32.500 0.140 0.000 0.719 1392 K HN 0.248 nan 8.250 nan 0.000 0.440 1393 E N 0.576 120.777 120.200 0.001 0.000 2.051 1393 E HA -0.255 4.095 4.350 0.000 0.000 0.192 1393 E C 1.986 178.626 176.600 0.067 0.000 0.991 1393 E CA 1.510 57.929 56.400 0.032 0.000 0.799 1393 E CB 0.067 29.765 29.700 -0.005 0.000 0.748 1393 E HN 0.430 nan 8.360 nan 0.000 0.449 1394 Q N -0.479 119.338 119.800 0.028 0.000 2.079 1394 Q HA -0.162 4.179 4.340 0.000 0.000 0.200 1394 Q C 2.047 178.151 176.000 0.173 0.000 0.974 1394 Q CA 1.478 57.335 55.803 0.090 0.000 0.840 1394 Q CB -0.260 28.448 28.738 -0.050 0.000 0.898 1394 Q HN 0.324 nan 8.270 nan 0.000 0.430 1395 F N 2.137 122.065 119.950 -0.037 0.000 2.095 1395 F HA -0.246 4.281 4.527 0.000 0.000 0.298 1395 F C 1.535 177.389 175.800 0.090 0.000 1.104 1395 F CA 1.587 59.619 58.000 0.054 0.000 1.232 1395 F CB 0.015 39.056 39.000 0.070 0.000 0.987 1395 F HN 0.021 nan 8.300 nan 0.000 0.475 1396 D N 0.561 121.091 120.400 0.216 0.000 2.117 1396 D HA -0.188 4.452 4.640 0.000 0.000 0.197 1396 D C 2.411 178.684 176.300 -0.044 0.000 0.987 1396 D CA 1.710 55.769 54.000 0.098 0.000 0.829 1396 D CB -0.406 40.467 40.800 0.121 0.000 0.961 1396 D HN 0.365 nan 8.370 nan 0.000 0.460 1397 I N 0.451 120.987 120.570 -0.057 0.000 2.252 1397 I HA -0.191 3.979 4.170 0.000 0.000 0.245 1397 I C 2.311 178.280 176.117 -0.246 0.000 1.102 1397 I CA 0.604 61.759 61.300 -0.241 0.000 1.385 1397 I CB -0.052 37.754 38.000 -0.324 0.000 1.064 1397 I HN -0.047 nan 8.210 nan 0.000 0.414 1398 I N 0.558 121.068 120.570 -0.099 0.000 2.226 1398 I HA -0.251 3.919 4.170 0.000 0.000 0.245 1398 I C 2.307 178.309 176.117 -0.192 0.000 1.100 1398 I CA 1.894 63.131 61.300 -0.104 0.000 1.374 1398 I CB -0.438 37.561 38.000 -0.002 0.000 1.057 1398 I HN 0.353 nan 8.210 nan 0.000 0.413 1399 T N -1.880 112.501 114.554 -0.288 0.000 3.144 1399 T HA 0.081 4.431 4.350 0.000 0.000 0.249 1399 T C 0.840 175.457 174.700 -0.138 0.000 1.089 1399 T CA -0.378 61.569 62.100 -0.256 0.000 0.989 1399 T CB -0.102 68.521 68.868 -0.408 0.000 0.992 1399 T HN 0.163 nan 8.240 nan 0.000 0.540 1400 K N 0.000 120.322 120.400 -0.130 0.000 2.780 1400 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1400 K CA 0.000 56.236 56.287 -0.085 0.000 0.838 1400 K CB 0.000 32.430 32.500 -0.117 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543