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 1gc8_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDGL PRKIRPETGL LSLRKSQDLF DATA SEQUENCE ANLRPAKVFP GLERLSPLKE EIARGVDVLI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF EFARKRRKHV VSVDKANVLE VGEFWRKTVE DATA SEQUENCE EVGRGYPDVA LEHQYVDAMA MHLVRSPARF DVVVTGNIFG DILSDLASVL DATA SEQUENCE PGSLGLLPSA SLGRGTPVFE PVHGSAPDIA GKGIANPTAA ILSAAMMLEH DATA SEQUENCE AFGLVELARK VEDAVAKALL ETPPPDLGGS AGTEAFTATV LRHLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.238 176.300 -0.104 0.000 1.140 1001 M CA 0.000 55.092 55.300 -0.347 0.000 0.988 1001 M CB 0.000 32.233 32.600 -0.612 0.000 1.302 1002 K N 3.208 123.657 120.400 0.082 0.000 2.264 1002 K HA 0.648 4.967 4.320 -0.001 0.000 0.277 1002 K C -1.433 175.300 176.600 0.220 0.000 1.067 1002 K CA -0.411 55.958 56.287 0.138 0.000 0.900 1002 K CB 1.086 33.667 32.500 0.136 0.000 1.124 1002 K HN 0.458 nan 8.250 nan 0.000 0.469 1003 V N 2.830 122.875 119.914 0.217 0.000 2.667 1003 V HA 0.592 4.712 4.120 -0.001 0.000 0.308 1003 V C -0.361 175.900 176.094 0.279 0.000 1.048 1003 V CA -0.972 61.478 62.300 0.249 0.000 0.928 1003 V CB 1.616 33.555 31.823 0.193 0.000 1.004 1003 V HN 0.892 nan 8.190 nan 0.000 0.444 1004 A N 3.997 126.977 122.820 0.268 0.000 2.287 1004 A HA 0.784 5.104 4.320 -0.001 0.000 0.317 1004 A C -0.780 176.977 177.584 0.287 0.000 1.220 1004 A CA -0.466 51.787 52.037 0.360 0.000 0.835 1004 A CB 1.087 20.227 19.000 0.234 0.000 1.180 1004 A HN 0.647 nan 8.150 nan 0.000 0.500 1005 V N 3.533 123.641 119.914 0.324 0.000 2.398 1005 V HA 0.403 4.522 4.120 -0.001 0.000 0.286 1005 V C -0.814 175.410 176.094 0.217 0.000 1.026 1005 V CA -0.347 62.072 62.300 0.198 0.000 0.868 1005 V CB 1.129 33.035 31.823 0.139 0.000 0.982 1005 V HN 0.680 nan 8.190 nan 0.000 0.443 1006 L N 8.045 129.342 121.223 0.123 0.000 2.433 1006 L HA 0.431 4.771 4.340 -0.001 0.000 0.256 1006 L C -1.779 175.157 176.870 0.109 0.000 1.063 1006 L CA -1.513 53.398 54.840 0.118 0.000 0.922 1006 L CB 1.208 43.206 42.059 -0.101 0.000 1.238 1006 L HN 0.348 nan 8.230 nan 0.000 0.466 1007 P HA -0.075 nan 4.420 nan 0.000 0.215 1007 P C 0.963 178.346 177.300 0.139 0.000 1.157 1007 P CA 1.570 64.742 63.100 0.121 0.000 0.874 1007 P CB 0.329 32.100 31.700 0.119 0.000 0.790 1008 G N -0.952 107.952 108.800 0.172 0.000 2.512 1008 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.240 1008 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.240 1008 G C -1.046 173.910 174.900 0.093 0.000 1.246 1008 G CA -0.031 45.162 45.100 0.156 0.000 0.919 1008 G HN 0.192 nan 8.290 nan 0.000 0.577 1009 D N 0.950 121.393 120.400 0.070 0.000 2.384 1009 D HA 0.579 5.218 4.640 -0.001 0.000 0.250 1009 D C 1.258 177.645 176.300 0.145 0.000 1.029 1009 D CA 1.023 55.085 54.000 0.103 0.000 0.990 1009 D CB 0.806 41.641 40.800 0.059 0.000 1.175 1009 D HN 1.833 nan 8.370 nan 0.000 0.532 1010 G N 0.950 109.856 108.800 0.177 0.000 2.596 1010 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.304 1010 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.304 1010 G C 1.017 175.982 174.900 0.108 0.000 1.189 1010 G CA 0.696 45.880 45.100 0.140 0.000 0.986 1010 G HN 0.715 nan 8.290 nan 0.000 0.548 1011 I N 0.410 121.036 120.570 0.093 0.000 3.564 1011 I HA 0.413 4.583 4.170 -0.001 0.000 0.294 1011 I C 2.298 178.478 176.117 0.105 0.000 1.289 1011 I CA 1.265 62.608 61.300 0.072 0.000 1.325 1011 I CB -0.661 37.349 38.000 0.017 0.000 1.039 1011 I HN 0.641 nan 8.210 nan 0.000 0.474 1012 G N 2.911 111.790 108.800 0.133 0.000 2.553 1012 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 1012 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 1012 G C -0.461 174.507 174.900 0.112 0.000 1.195 1012 G CA 1.310 46.492 45.100 0.138 0.000 0.779 1012 G HN 0.385 nan 8.290 nan 0.000 0.577 1013 P HA -0.006 nan 4.420 nan 0.000 0.216 1013 P C 1.635 178.980 177.300 0.075 0.000 1.150 1013 P CA 1.387 64.540 63.100 0.088 0.000 0.837 1013 P CB 0.046 31.799 31.700 0.088 0.000 0.786 1014 E N -0.525 119.717 120.200 0.071 0.000 2.017 1014 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 1014 E C 1.924 178.561 176.600 0.062 0.000 0.997 1014 E CA 1.813 58.248 56.400 0.058 0.000 0.804 1014 E CB -0.580 29.147 29.700 0.045 0.000 0.757 1014 E HN 0.075 nan 8.360 nan 0.000 0.448 1015 V N -1.282 118.677 119.914 0.075 0.000 2.427 1015 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 1015 V C 2.044 178.190 176.094 0.086 0.000 1.051 1015 V CA 2.088 64.444 62.300 0.093 0.000 1.048 1015 V CB -0.977 30.938 31.823 0.153 0.000 0.666 1015 V HN 0.156 nan 8.190 nan 0.000 0.456 1016 T N 0.490 115.090 114.554 0.078 0.000 2.777 1016 T HA -0.136 4.214 4.350 -0.001 0.000 0.266 1016 T C 1.832 176.543 174.700 0.018 0.000 1.040 1016 T CA 1.906 64.035 62.100 0.048 0.000 1.141 1016 T CB -0.307 68.592 68.868 0.051 0.000 0.868 1016 T HN 0.638 nan 8.240 nan 0.000 0.444 1017 E N 1.711 121.931 120.200 0.033 0.000 2.106 1017 E HA 0.005 4.355 4.350 -0.001 0.000 0.192 1017 E C 2.203 178.816 176.600 0.021 0.000 0.984 1017 E CA 1.269 57.683 56.400 0.023 0.000 0.806 1017 E CB -0.589 29.137 29.700 0.044 0.000 0.750 1017 E HN 0.429 nan 8.360 nan 0.000 0.458 1018 A N 0.762 123.608 122.820 0.042 0.000 1.902 1018 A HA -0.053 4.267 4.320 -0.001 0.000 0.217 1018 A C 2.441 180.048 177.584 0.037 0.000 1.181 1018 A CA 2.093 54.163 52.037 0.056 0.000 0.623 1018 A CB -0.996 18.058 19.000 0.091 0.000 0.818 1018 A HN 0.380 nan 8.150 nan 0.000 0.443 1019 A N -0.241 122.595 122.820 0.027 0.000 1.902 1019 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 1019 A C 2.143 179.697 177.584 -0.051 0.000 1.181 1019 A CA 1.475 53.514 52.037 0.003 0.000 0.623 1019 A CB -0.607 18.397 19.000 0.007 0.000 0.818 1019 A HN 0.471 nan 8.150 nan 0.000 0.443 1020 L N -0.687 120.482 121.223 -0.091 0.000 2.131 1020 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 1020 L C 2.514 179.327 176.870 -0.095 0.000 1.092 1020 L CA 1.363 56.095 54.840 -0.180 0.000 0.759 1020 L CB -0.404 41.483 42.059 -0.288 0.000 0.903 1020 L HN 0.381 nan 8.230 nan 0.000 0.435 1021 K N -0.370 120.009 120.400 -0.036 0.000 2.057 1021 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 1021 K C 2.065 178.655 176.600 -0.017 0.000 1.049 1021 K CA 1.158 57.440 56.287 -0.009 0.000 0.931 1021 K CB -0.206 32.299 32.500 0.008 0.000 0.714 1021 K HN 0.134 nan 8.250 nan 0.000 0.440 1022 V N 1.520 121.421 119.914 -0.021 0.000 2.270 1022 V HA -0.225 3.894 4.120 -0.001 0.000 0.245 1022 V C 2.233 178.304 176.094 -0.038 0.000 1.043 1022 V CA 1.318 63.603 62.300 -0.024 0.000 1.014 1022 V CB -0.343 31.470 31.823 -0.016 0.000 0.645 1022 V HN 0.191 nan 8.190 nan 0.000 0.447 1023 L N -0.017 121.172 121.223 -0.057 0.000 2.042 1023 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 1023 L C 2.603 179.442 176.870 -0.052 0.000 1.076 1023 L CA 1.895 56.691 54.840 -0.072 0.000 0.749 1023 L CB -1.059 40.931 42.059 -0.115 0.000 0.893 1023 L HN 0.279 nan 8.230 nan 0.000 0.432 1024 R N -1.231 119.248 120.500 -0.035 0.000 2.081 1024 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 1024 R C 2.182 178.479 176.300 -0.004 0.000 1.131 1024 R CA 1.245 57.347 56.100 0.005 0.000 0.960 1024 R CB -0.544 29.780 30.300 0.040 0.000 0.856 1024 R HN 0.388 nan 8.270 nan 0.000 0.436 1025 A N 1.305 124.118 122.820 -0.012 0.000 1.933 1025 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 1025 A C 2.175 179.746 177.584 -0.021 0.000 1.175 1025 A CA 1.113 53.141 52.037 -0.015 0.000 0.628 1025 A CB -0.446 18.544 19.000 -0.018 0.000 0.814 1025 A HN 0.168 nan 8.150 nan 0.000 0.444 1026 L N -0.822 120.384 121.223 -0.028 0.000 2.109 1026 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 1026 L C 2.393 179.243 176.870 -0.035 0.000 1.086 1026 L CA 1.548 56.368 54.840 -0.033 0.000 0.760 1026 L CB -0.554 41.480 42.059 -0.041 0.000 0.910 1026 L HN 0.440 nan 8.230 nan 0.000 0.437 1027 D N 0.438 120.817 120.400 -0.035 0.000 2.092 1027 D HA -0.237 4.402 4.640 -0.001 0.000 0.193 1027 D C 1.997 178.283 176.300 -0.024 0.000 0.994 1027 D CA 1.617 55.596 54.000 -0.035 0.000 0.828 1027 D CB 0.176 40.962 40.800 -0.023 0.000 0.963 1027 D HN 0.205 nan 8.370 nan 0.000 0.450 1028 E N -0.418 119.773 120.200 -0.015 0.000 2.077 1028 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 1028 E C 2.049 178.640 176.600 -0.016 0.000 0.989 1028 E CA 1.260 57.652 56.400 -0.013 0.000 0.800 1028 E CB -0.244 29.452 29.700 -0.008 0.000 0.746 1028 E HN 0.378 nan 8.360 nan 0.000 0.452 1029 A N 0.731 123.541 122.820 -0.018 0.000 1.968 1029 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 1029 A C 1.552 179.125 177.584 -0.019 0.000 1.169 1029 A CA 1.237 53.263 52.037 -0.018 0.000 0.638 1029 A CB -0.010 18.978 19.000 -0.020 0.000 0.812 1029 A HN 0.067 nan 8.150 nan 0.000 0.446 1030 E N -1.571 118.615 120.200 -0.023 0.000 2.539 1030 E HA 0.233 4.582 4.350 -0.001 0.000 0.215 1030 E C 0.816 177.401 176.600 -0.025 0.000 0.965 1030 E CA 0.524 56.910 56.400 -0.023 0.000 1.019 1030 E CB -0.122 29.562 29.700 -0.027 0.000 1.059 1030 E HN 0.746 nan 8.360 nan 0.000 0.496 1031 G N 2.740 111.525 108.800 -0.026 0.000 2.370 1031 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.295 1031 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.295 1031 G C 0.552 175.430 174.900 -0.037 0.000 1.045 1031 G CA 0.222 45.306 45.100 -0.026 0.000 1.199 1031 G HN 0.153 nan 8.290 nan 0.000 0.513 1032 L N 0.307 121.499 121.223 -0.052 0.000 2.240 1032 L HA 0.355 4.695 4.340 -0.001 0.000 0.211 1032 L C 2.317 179.132 176.870 -0.091 0.000 1.106 1032 L CA 2.099 56.890 54.840 -0.082 0.000 0.793 1032 L CB -0.658 41.331 42.059 -0.117 0.000 0.927 1032 L HN 1.751 nan 8.230 nan 0.000 0.446 1033 G N 0.281 109.042 108.800 -0.066 0.000 2.303 1033 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.260 1033 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.260 1033 G C -0.131 174.725 174.900 -0.074 0.000 1.106 1033 G CA 0.235 45.302 45.100 -0.055 0.000 0.900 1033 G HN 0.253 nan 8.290 nan 0.000 0.495 1034 L N 0.613 121.798 121.223 -0.063 0.000 2.331 1034 L HA 0.784 5.123 4.340 -0.001 0.000 0.278 1034 L C 0.365 177.251 176.870 0.026 0.000 1.106 1034 L CA 0.511 55.323 54.840 -0.046 0.000 0.824 1034 L CB 1.198 43.242 42.059 -0.025 0.000 1.142 1034 L HN 1.062 nan 8.230 nan 0.000 0.443 1035 A N 5.204 128.056 122.820 0.054 0.000 2.408 1035 A HA 0.664 4.984 4.320 -0.001 0.000 0.295 1035 A C -1.673 176.008 177.584 0.162 0.000 1.040 1035 A CA -0.428 51.647 52.037 0.063 0.000 0.707 1035 A CB 0.815 19.830 19.000 0.026 0.000 1.235 1035 A HN 0.825 nan 8.150 nan 0.000 0.418 1036 Y N -0.417 119.887 120.300 0.006 0.000 2.562 1036 Y HA 0.846 5.395 4.550 -0.001 0.000 0.345 1036 Y C -0.726 175.169 175.900 -0.009 0.000 1.045 1036 Y CA -0.992 57.123 58.100 0.025 0.000 1.028 1036 Y CB 1.368 39.841 38.460 0.022 0.000 1.297 1036 Y HN 0.591 nan 8.280 nan 0.000 0.463 1037 E N 2.229 122.504 120.200 0.126 0.000 2.293 1037 E HA 0.551 4.900 4.350 -0.001 0.000 0.270 1037 E C -1.288 175.181 176.600 -0.219 0.000 0.879 1037 E CA -1.439 54.851 56.400 -0.183 0.000 0.756 1037 E CB 3.199 32.722 29.700 -0.294 0.000 1.208 1037 E HN 0.728 nan 8.360 nan 0.000 0.428 1038 V N -0.362 119.365 119.914 -0.312 0.000 2.617 1038 V HA 0.689 4.809 4.120 -0.001 0.000 0.298 1038 V C -0.789 175.006 176.094 -0.498 0.000 1.048 1038 V CA -0.395 61.802 62.300 -0.171 0.000 0.964 1038 V CB 0.331 32.162 31.823 0.013 0.000 1.004 1038 V HN 0.519 nan 8.190 nan 0.000 0.466 1039 F N 2.882 122.906 119.950 0.123 0.000 2.588 1039 F HA 0.696 5.223 4.527 -0.001 0.000 0.310 1039 F C -2.402 173.500 175.800 0.169 0.000 1.082 1039 F CA -2.308 55.767 58.000 0.125 0.000 0.929 1039 F CB 2.512 41.572 39.000 0.101 0.000 1.254 1039 F HN 0.415 nan 8.300 nan 0.000 0.455 1040 P HA 0.205 nan 4.420 nan 0.000 0.271 1040 P C -1.134 176.397 177.300 0.386 0.000 1.220 1040 P CA 0.269 63.570 63.100 0.335 0.000 0.768 1040 P CB 0.981 32.928 31.700 0.412 0.000 0.848 1041 F N 1.756 121.778 119.950 0.119 0.000 2.641 1041 F HA 0.517 5.043 4.527 -0.001 0.000 0.308 1041 F C 0.591 176.374 175.800 -0.028 0.000 1.105 1041 F CA 0.792 58.840 58.000 0.080 0.000 0.964 1041 F CB 2.005 41.061 39.000 0.093 0.000 1.294 1041 F HN 0.749 nan 8.300 nan 0.000 0.442 1042 G N 2.590 110.958 108.800 -0.721 0.000 2.512 1042 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.254 1042 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.254 1042 G C 0.933 175.452 174.900 -0.635 0.000 1.199 1042 G CA 0.054 44.783 45.100 -0.618 0.000 0.941 1042 G HN 1.646 nan 8.290 nan 0.000 0.569 1043 G N -0.078 108.103 108.800 -1.032 0.000 2.442 1043 G HA2 0.225 4.184 3.960 -0.001 0.000 0.219 1043 G HA3 0.225 4.184 3.960 -0.001 0.000 0.219 1043 G C 2.189 176.635 174.900 -0.757 0.000 1.141 1043 G CA 3.069 47.010 45.100 -1.932 0.000 0.763 1043 G HN 1.973 nan 8.290 nan 0.000 0.554 1044 A N 1.019 123.619 122.820 -0.367 0.000 1.940 1044 A HA 0.209 4.529 4.320 -0.001 0.000 0.219 1044 A C 2.744 180.360 177.584 0.055 0.000 1.176 1044 A CA 2.379 54.405 52.037 -0.019 0.000 0.631 1044 A CB -0.601 18.430 19.000 0.052 0.000 0.814 1044 A HN 0.784 nan 8.150 nan 0.000 0.446 1045 A N -0.566 122.270 122.820 0.026 0.000 1.975 1045 A HA 0.151 4.470 4.320 -0.001 0.000 0.215 1045 A C 2.066 179.758 177.584 0.180 0.000 1.170 1045 A CA 0.961 53.124 52.037 0.210 0.000 0.656 1045 A CB -0.430 18.653 19.000 0.137 0.000 0.821 1045 A HN 0.457 nan 8.150 nan 0.000 0.449 1046 I N 0.158 120.711 120.570 -0.028 0.000 2.127 1046 I HA -0.273 3.897 4.170 -0.001 0.000 0.241 1046 I C 1.897 178.078 176.117 0.108 0.000 1.075 1046 I CA 1.610 62.914 61.300 0.007 0.000 1.334 1046 I CB -0.510 37.418 38.000 -0.121 0.000 1.040 1046 I HN 0.245 nan 8.210 nan 0.000 0.405 1047 D N 0.947 121.439 120.400 0.152 0.000 2.149 1047 D HA -0.207 4.433 4.640 -0.001 0.000 0.194 1047 D C 2.096 178.424 176.300 0.046 0.000 1.001 1047 D CA 1.845 55.948 54.000 0.172 0.000 0.849 1047 D CB -0.107 40.825 40.800 0.220 0.000 0.939 1047 D HN 0.431 nan 8.370 nan 0.000 0.449 1048 A N -0.316 122.492 122.820 -0.018 0.000 1.850 1048 A HA 0.017 4.337 4.320 -0.001 0.000 0.212 1048 A C 1.609 178.954 177.584 -0.397 0.000 1.208 1048 A CA 0.604 52.468 52.037 -0.288 0.000 0.609 1048 A CB -0.532 18.153 19.000 -0.526 0.000 0.860 1048 A HN 0.187 nan 8.150 nan 0.000 0.448 1049 F N -0.526 119.438 119.950 0.024 0.000 2.695 1049 F HA 0.410 4.936 4.527 -0.001 0.000 0.303 1049 F C 1.699 177.504 175.800 0.009 0.000 1.091 1049 F CA 0.179 58.187 58.000 0.013 0.000 1.300 1049 F CB -0.027 38.975 39.000 0.004 0.000 1.071 1049 F HN 0.350 nan 8.300 nan 0.000 0.578 1050 G N 1.407 110.304 108.800 0.161 0.000 2.179 1050 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.257 1050 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.257 1050 G C -0.099 174.856 174.900 0.092 0.000 1.010 1050 G CA 0.466 45.631 45.100 0.108 0.000 0.736 1050 G HN 0.553 nan 8.290 nan 0.000 0.513 1051 E N -1.776 118.484 120.200 0.100 0.000 2.347 1051 E HA 0.475 4.825 4.350 -0.001 0.000 0.285 1051 E C -2.304 174.288 176.600 -0.013 0.000 0.925 1051 E CA -1.690 54.730 56.400 0.034 0.000 0.779 1051 E CB 1.871 31.588 29.700 0.028 0.000 1.233 1051 E HN 0.025 nan 8.360 nan 0.000 0.414 1052 P HA -0.118 nan 4.420 nan 0.000 0.220 1052 P C 0.048 177.214 177.300 -0.223 0.000 1.148 1052 P CA 0.991 63.936 63.100 -0.259 0.000 0.803 1052 P CB 0.080 31.578 31.700 -0.337 0.000 0.782 1053 F N 2.050 121.867 119.950 -0.222 0.000 2.622 1053 F HA 0.411 4.937 4.527 -0.001 0.000 0.338 1053 F C -2.388 173.352 175.800 -0.101 0.000 1.334 1053 F CA -3.050 54.906 58.000 -0.073 0.000 1.179 1053 F CB 1.302 40.321 39.000 0.031 0.000 1.471 1053 F HN -0.208 nan 8.300 nan 0.000 0.576 1054 P HA -0.005 nan 4.420 nan 0.000 0.270 1054 P C 0.402 177.337 177.300 -0.608 0.000 1.223 1054 P CA 0.237 63.019 63.100 -0.530 0.000 0.785 1054 P CB 1.235 32.302 31.700 -1.055 0.000 0.923 1055 E N 2.494 122.411 120.200 -0.471 0.000 2.097 1055 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 1055 E C -0.702 175.679 176.600 -0.365 0.000 1.000 1055 E CA 2.382 58.555 56.400 -0.378 0.000 0.804 1055 E CB -1.729 27.837 29.700 -0.224 0.000 0.740 1055 E HN 0.444 nan 8.360 nan 0.000 0.454 1056 P HA -0.083 nan 4.420 nan 0.000 0.219 1056 P C 1.000 178.131 177.300 -0.281 0.000 1.150 1056 P CA 1.394 64.374 63.100 -0.201 0.000 0.814 1056 P CB 0.010 31.661 31.700 -0.083 0.000 0.787 1057 T N -0.051 114.279 114.554 -0.372 0.000 2.812 1057 T HA -0.081 4.269 4.350 -0.001 0.000 0.264 1057 T C 2.050 176.434 174.700 -0.527 0.000 1.042 1057 T CA 0.857 62.714 62.100 -0.404 0.000 1.140 1057 T CB -0.402 68.416 68.868 -0.084 0.000 0.870 1057 T HN 0.147 nan 8.240 nan 0.000 0.445 1058 R N 1.403 121.466 120.500 -0.729 0.000 2.073 1058 R HA -0.083 4.257 4.340 -0.001 0.000 0.234 1058 R C 2.237 178.355 176.300 -0.302 0.000 1.134 1058 R CA 1.453 57.185 56.100 -0.613 0.000 0.952 1058 R CB -0.078 29.769 30.300 -0.755 0.000 0.850 1058 R HN 0.310 nan 8.270 nan 0.000 0.433 1059 K N -0.667 119.550 120.400 -0.305 0.000 2.097 1059 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 1059 K C 2.082 178.540 176.600 -0.236 0.000 1.049 1059 K CA 1.291 57.457 56.287 -0.202 0.000 0.933 1059 K CB -0.274 32.138 32.500 -0.147 0.000 0.717 1059 K HN 0.383 nan 8.250 nan 0.000 0.442 1060 G N 1.450 109.966 108.800 -0.473 0.000 2.440 1060 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 1060 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 1060 G C 1.655 176.318 174.900 -0.395 0.000 1.154 1060 G CA 1.202 45.881 45.100 -0.703 0.000 0.767 1060 G HN 0.283 nan 8.290 nan 0.000 0.552 1061 V N -1.139 118.582 119.914 -0.321 0.000 2.427 1061 V HA -0.018 4.102 4.120 -0.001 0.000 0.248 1061 V C 2.192 178.256 176.094 -0.049 0.000 1.051 1061 V CA 2.383 64.615 62.300 -0.113 0.000 1.048 1061 V CB -0.549 31.259 31.823 -0.024 0.000 0.666 1061 V HN 0.461 nan 8.190 nan 0.000 0.456 1062 E N 0.399 120.564 120.200 -0.058 0.000 2.150 1062 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 1062 E C 2.144 178.739 176.600 -0.009 0.000 0.985 1062 E CA 1.594 57.979 56.400 -0.026 0.000 0.814 1062 E CB -0.080 29.600 29.700 -0.033 0.000 0.752 1062 E HN 0.774 nan 8.360 nan 0.000 0.466 1063 E N 0.328 120.520 120.200 -0.013 0.000 2.447 1063 E HA 0.117 4.466 4.350 -0.001 0.000 0.195 1063 E C 0.465 177.101 176.600 0.060 0.000 1.028 1063 E CA -0.197 56.217 56.400 0.024 0.000 0.876 1063 E CB 0.500 30.216 29.700 0.026 0.000 0.885 1063 E HN 0.091 nan 8.360 nan 0.000 0.500 1064 A N 1.240 124.100 122.820 0.066 0.000 2.267 1064 A HA 0.125 4.445 4.320 -0.001 0.000 0.271 1064 A C 0.683 178.339 177.584 0.121 0.000 1.131 1064 A CA -0.226 51.882 52.037 0.120 0.000 0.818 1064 A CB 0.422 19.506 19.000 0.140 0.000 1.118 1064 A HN 0.065 nan 8.150 nan 0.000 0.501 1065 E N -0.957 119.353 120.200 0.184 0.000 2.473 1065 E HA 0.426 4.776 4.350 -0.001 0.000 0.204 1065 E C -0.037 176.630 176.600 0.112 0.000 0.994 1065 E CA 0.613 57.112 56.400 0.165 0.000 0.945 1065 E CB 0.646 30.524 29.700 0.297 0.000 0.990 1065 E HN 0.746 nan 8.360 nan 0.000 0.493 1066 A N 0.584 123.518 122.820 0.189 0.000 2.599 1066 A HA 0.502 4.821 4.320 -0.001 0.000 0.294 1066 A C -1.399 176.318 177.584 0.222 0.000 1.055 1066 A CA -0.641 51.524 52.037 0.213 0.000 0.683 1066 A CB 1.397 20.546 19.000 0.249 0.000 1.278 1066 A HN -0.031 nan 8.150 nan 0.000 0.412 1067 V N 1.339 121.373 119.914 0.201 0.000 2.495 1067 V HA 0.625 4.745 4.120 -0.001 0.000 0.298 1067 V C -0.794 175.409 176.094 0.180 0.000 1.031 1067 V CA -0.539 61.839 62.300 0.129 0.000 0.871 1067 V CB 1.483 33.297 31.823 -0.015 0.000 0.988 1067 V HN 0.855 nan 8.190 nan 0.000 0.432 1068 L N 5.712 127.015 121.223 0.133 0.000 2.276 1068 L HA 0.576 4.915 4.340 -0.001 0.000 0.286 1068 L C -0.711 176.186 176.870 0.046 0.000 1.024 1068 L CA 0.178 55.086 54.840 0.113 0.000 0.826 1068 L CB 0.904 43.005 42.059 0.070 0.000 1.211 1068 L HN 0.624 nan 8.230 nan 0.000 0.422 1069 L N 4.204 125.437 121.223 0.015 0.000 2.331 1069 L HA 0.683 5.023 4.340 -0.001 0.000 0.275 1069 L C 0.808 177.683 176.870 0.007 0.000 1.022 1069 L CA -0.245 54.575 54.840 -0.034 0.000 0.812 1069 L CB 1.825 43.818 42.059 -0.110 0.000 1.257 1069 L HN 0.758 nan 8.230 nan 0.000 0.435 1070 G N 1.711 110.534 108.800 0.038 0.000 3.226 1070 G HA2 0.272 4.231 3.960 -0.001 0.000 0.190 1070 G HA3 0.272 4.231 3.960 -0.001 0.000 0.190 1070 G C -0.407 174.528 174.900 0.058 0.000 1.988 1070 G CA -0.070 45.069 45.100 0.065 0.000 0.859 1070 G HN 0.541 nan 8.290 nan 0.000 0.631 1071 S N -2.076 113.687 115.700 0.105 0.000 2.634 1071 S HA 0.723 5.193 4.470 -0.001 0.000 0.296 1071 S C -1.224 173.440 174.600 0.107 0.000 1.104 1071 S CA -0.405 57.858 58.200 0.104 0.000 0.920 1071 S CB 2.275 65.571 63.200 0.159 0.000 1.111 1071 S HN 0.361 nan 8.310 nan 0.000 0.493 1072 V N 0.559 120.522 119.914 0.082 0.000 2.971 1072 V HA 0.918 5.038 4.120 -0.001 0.000 0.309 1072 V C 0.068 176.177 176.094 0.026 0.000 1.130 1072 V CA 0.300 62.617 62.300 0.029 0.000 0.964 1072 V CB 1.527 33.370 31.823 0.033 0.000 1.029 1072 V HN 1.351 nan 8.190 nan 0.000 0.427 1073 G N 2.080 110.876 108.800 -0.008 0.000 2.539 1073 G HA2 0.549 4.508 3.960 -0.001 0.000 0.686 1073 G HA3 0.549 4.508 3.960 -0.001 0.000 0.686 1073 G C -0.323 174.755 174.900 0.296 0.000 1.258 1073 G CA -0.050 45.113 45.100 0.105 0.000 0.846 1073 G HN 2.126 nan 8.290 nan 0.000 0.647 1074 G N 0.232 109.281 108.800 0.415 0.000 2.402 1074 G HA2 0.759 4.719 3.960 -0.001 0.000 0.301 1074 G HA3 0.759 4.719 3.960 -0.001 0.000 0.301 1074 G C -1.484 173.560 174.900 0.240 0.000 1.615 1074 G CA 0.527 45.871 45.100 0.407 0.000 0.889 1074 G HN 0.820 nan 8.290 nan 0.000 0.647 1075 P HA -0.154 nan 4.420 nan 0.000 0.219 1075 P C 1.453 178.661 177.300 -0.154 0.000 1.146 1075 P CA 0.958 64.039 63.100 -0.032 0.000 0.808 1075 P CB 0.289 31.959 31.700 -0.050 0.000 0.779 1076 K N -0.712 119.433 120.400 -0.424 0.000 2.218 1076 K HA -0.138 4.181 4.320 -0.001 0.000 0.205 1076 K C 1.392 177.596 176.600 -0.660 0.000 1.046 1076 K CA 1.373 57.216 56.287 -0.740 0.000 0.933 1076 K CB -0.204 31.465 32.500 -1.384 0.000 0.728 1076 K HN 0.249 nan 8.250 nan 0.000 0.454 1077 W N 0.088 121.387 121.300 -0.002 0.000 2.998 1077 W HA 0.118 4.778 4.660 -0.001 0.000 0.336 1077 W C 0.696 177.210 176.519 -0.009 0.000 1.112 1077 W CA -0.526 56.815 57.345 -0.005 0.000 1.682 1077 W CB 0.130 29.586 29.460 -0.008 0.000 1.065 1077 W HN 0.037 nan 8.180 nan 0.000 0.570 1078 D N 0.943 121.445 120.400 0.169 0.000 2.221 1078 D HA -0.108 4.531 4.640 -0.001 0.000 0.204 1078 D C 2.332 178.668 176.300 0.060 0.000 0.982 1078 D CA 1.456 55.518 54.000 0.102 0.000 0.857 1078 D CB -0.443 40.394 40.800 0.062 0.000 0.934 1078 D HN 0.157 nan 8.370 nan 0.000 0.475 1079 G N -0.043 108.781 108.800 0.040 0.000 2.744 1079 G HA2 0.025 3.985 3.960 -0.001 0.000 0.211 1079 G HA3 0.025 3.985 3.960 -0.001 0.000 0.211 1079 G C 0.850 175.772 174.900 0.036 0.000 1.143 1079 G CA -0.131 44.983 45.100 0.022 0.000 0.788 1079 G HN 0.187 nan 8.290 nan 0.000 0.534 1080 L N 1.520 122.782 121.223 0.066 0.000 2.452 1080 L HA 0.258 4.598 4.340 -0.001 0.000 0.267 1080 L C -1.737 175.160 176.870 0.045 0.000 1.188 1080 L CA -1.867 53.013 54.840 0.067 0.000 0.821 1080 L CB 0.664 42.788 42.059 0.108 0.000 1.102 1080 L HN -0.044 nan 8.230 nan 0.000 0.470 1081 P HA 0.103 nan 4.420 nan 0.000 0.271 1081 P C -0.147 177.165 177.300 0.020 0.000 1.220 1081 P CA -0.331 62.782 63.100 0.022 0.000 0.768 1081 P CB 0.944 32.655 31.700 0.018 0.000 0.848 1082 R N 3.180 123.687 120.500 0.013 0.000 2.265 1082 R HA -0.262 4.077 4.340 -0.001 0.000 0.256 1082 R C 1.916 178.218 176.300 0.005 0.000 1.120 1082 R CA 2.434 58.538 56.100 0.007 0.000 0.956 1082 R CB -1.463 28.838 30.300 0.002 0.000 0.925 1082 R HN 0.465 nan 8.270 nan 0.000 0.448 1083 K N -0.258 120.146 120.400 0.006 0.000 2.293 1083 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 1083 K C 1.853 178.455 176.600 0.002 0.000 1.045 1083 K CA 1.463 57.753 56.287 0.005 0.000 0.933 1083 K CB -0.166 32.339 32.500 0.008 0.000 0.736 1083 K HN 0.409 nan 8.250 nan 0.000 0.463 1084 I N -0.631 119.943 120.570 0.006 0.000 4.288 1084 I HA 0.043 4.212 4.170 -0.001 0.000 0.331 1084 I C -0.381 175.728 176.117 -0.014 0.000 1.322 1084 I CA -0.352 60.949 61.300 0.002 0.000 1.149 1084 I CB 0.419 38.432 38.000 0.023 0.000 1.112 1084 I HN -0.027 nan 8.210 nan 0.000 0.403 1085 R N 1.974 122.471 120.500 -0.004 0.000 2.697 1085 R HA -0.016 4.324 4.340 -0.001 0.000 0.265 1085 R C -1.571 174.679 176.300 -0.083 0.000 1.009 1085 R CA -0.797 55.299 56.100 -0.006 0.000 1.099 1085 R CB -0.187 30.120 30.300 0.012 0.000 0.965 1085 R HN 0.051 nan 8.270 nan 0.000 0.428 1086 P HA -0.211 nan 4.420 nan 0.000 0.216 1086 P C 0.314 177.485 177.300 -0.215 0.000 1.154 1086 P CA 1.407 64.347 63.100 -0.266 0.000 0.865 1086 P CB 0.230 31.755 31.700 -0.291 0.000 0.789 1087 E N -1.525 118.611 120.200 -0.108 0.000 2.267 1087 E HA -0.117 4.232 4.350 -0.001 0.000 0.197 1087 E C 1.776 178.336 176.600 -0.066 0.000 0.998 1087 E CA 1.339 57.699 56.400 -0.067 0.000 0.830 1087 E CB -1.174 28.508 29.700 -0.030 0.000 0.751 1087 E HN 0.280 nan 8.360 nan 0.000 0.491 1088 T N -0.432 114.074 114.554 -0.080 0.000 2.942 1088 T HA -0.036 4.314 4.350 -0.001 0.000 0.265 1088 T C 1.941 176.584 174.700 -0.095 0.000 1.062 1088 T CA 0.946 63.009 62.100 -0.062 0.000 1.139 1088 T CB -0.393 68.448 68.868 -0.044 0.000 0.883 1088 T HN 0.409 nan 8.240 nan 0.000 0.468 1089 G N 1.458 110.141 108.800 -0.194 0.000 2.442 1089 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.219 1089 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.219 1089 G C 1.478 176.314 174.900 -0.107 0.000 1.141 1089 G CA 0.492 45.410 45.100 -0.303 0.000 0.763 1089 G HN 0.423 nan 8.290 nan 0.000 0.554 1090 L N -0.711 120.502 121.223 -0.016 0.000 2.056 1090 L HA -0.015 4.325 4.340 -0.001 0.000 0.207 1090 L C 2.793 179.635 176.870 -0.048 0.000 1.078 1090 L CA 0.375 55.257 54.840 0.070 0.000 0.749 1090 L CB -0.229 41.861 42.059 0.052 0.000 0.901 1090 L HN 0.155 nan 8.230 nan 0.000 0.433 1091 L N -0.873 120.318 121.223 -0.053 0.000 2.017 1091 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 1091 L C 2.675 179.481 176.870 -0.106 0.000 1.073 1091 L CA 1.663 56.455 54.840 -0.079 0.000 0.745 1091 L CB -0.864 41.155 42.059 -0.067 0.000 0.894 1091 L HN 0.126 nan 8.230 nan 0.000 0.432 1092 S N -0.556 115.091 115.700 -0.088 0.000 2.383 1092 S HA -0.184 4.286 4.470 -0.001 0.000 0.229 1092 S C 1.841 176.342 174.600 -0.164 0.000 1.030 1092 S CA 1.316 59.488 58.200 -0.046 0.000 1.002 1092 S CB -0.467 62.791 63.200 0.096 0.000 0.829 1092 S HN 0.332 nan 8.310 nan 0.000 0.467 1093 L N 1.925 122.889 121.223 -0.430 0.000 2.056 1093 L HA 0.015 4.355 4.340 -0.001 0.000 0.207 1093 L C 2.156 178.862 176.870 -0.273 0.000 1.078 1093 L CA 1.666 56.139 54.840 -0.612 0.000 0.749 1093 L CB -0.496 41.143 42.059 -0.700 0.000 0.901 1093 L HN 0.082 nan 8.230 nan 0.000 0.433 1094 R N -0.373 120.008 120.500 -0.198 0.000 2.066 1094 R HA -0.174 4.165 4.340 -0.001 0.000 0.232 1094 R C 2.390 178.629 176.300 -0.101 0.000 1.131 1094 R CA 1.774 57.788 56.100 -0.143 0.000 0.955 1094 R CB -0.416 29.815 30.300 -0.115 0.000 0.851 1094 R HN 0.338 nan 8.270 nan 0.000 0.432 1095 K N 0.767 121.112 120.400 -0.092 0.000 2.026 1095 K HA -0.158 4.162 4.320 -0.001 0.000 0.208 1095 K C 2.210 178.797 176.600 -0.021 0.000 1.048 1095 K CA 1.922 58.174 56.287 -0.059 0.000 0.929 1095 K CB -0.082 32.375 32.500 -0.071 0.000 0.713 1095 K HN 0.199 nan 8.250 nan 0.000 0.439 1096 S N 0.357 116.057 115.700 -0.001 0.000 2.383 1096 S HA -0.168 4.302 4.470 -0.001 0.000 0.229 1096 S C 1.595 176.207 174.600 0.020 0.000 1.030 1096 S CA 1.018 59.245 58.200 0.045 0.000 1.002 1096 S CB -0.212 63.079 63.200 0.152 0.000 0.829 1096 S HN 0.341 nan 8.310 nan 0.000 0.467 1097 Q N 0.896 120.685 119.800 -0.018 0.000 2.280 1097 Q HA 0.218 4.557 4.340 -0.001 0.000 0.201 1097 Q C -0.189 175.789 176.000 -0.037 0.000 0.890 1097 Q CA 0.408 56.191 55.803 -0.035 0.000 0.947 1097 Q CB -0.533 28.159 28.738 -0.076 0.000 1.081 1097 Q HN 0.674 nan 8.270 nan 0.000 0.502 1098 D N 0.670 121.064 120.400 -0.010 0.000 2.735 1098 D HA -0.189 4.451 4.640 -0.001 0.000 0.235 1098 D C -1.174 175.122 176.300 -0.006 0.000 1.175 1098 D CA 0.371 54.398 54.000 0.044 0.000 0.683 1098 D CB -1.105 39.754 40.800 0.097 0.000 1.008 1098 D HN 0.250 nan 8.370 nan 0.000 0.416 1099 L N 1.287 122.456 121.223 -0.090 0.000 2.265 1099 L HA 0.352 4.691 4.340 -0.001 0.000 0.288 1099 L C 1.268 178.062 176.870 -0.127 0.000 1.058 1099 L CA -0.790 53.906 54.840 -0.241 0.000 0.809 1099 L CB 0.544 42.470 42.059 -0.221 0.000 1.179 1099 L HN 0.202 nan 8.230 nan 0.000 0.429 1100 F N 0.705 120.640 119.950 -0.025 0.000 2.746 1100 F HA 0.637 5.163 4.527 -0.000 0.000 0.320 1100 F C 0.438 176.247 175.800 0.015 0.000 1.097 1100 F CA -0.831 57.176 58.000 0.012 0.000 1.195 1100 F CB 0.155 39.174 39.000 0.033 0.000 1.056 1100 F HN 0.240 nan 8.300 nan 0.000 0.562 1101 A N 1.416 124.141 122.820 -0.157 0.000 2.332 1101 A HA 0.581 4.901 4.320 -0.001 0.000 0.300 1101 A C -1.353 176.133 177.584 -0.162 0.000 1.153 1101 A CA -0.570 51.431 52.037 -0.060 0.000 0.764 1101 A CB 0.516 19.484 19.000 -0.054 0.000 1.174 1101 A HN 0.177 nan 8.150 nan 0.000 0.467 1102 N N 1.996 120.636 118.700 -0.099 0.000 2.422 1102 N HA 0.515 5.254 4.740 -0.001 0.000 0.266 1102 N C -1.388 174.023 175.510 -0.165 0.000 1.007 1102 N CA -0.331 52.641 53.050 -0.129 0.000 0.941 1102 N CB 0.672 39.122 38.487 -0.061 0.000 1.115 1102 N HN 0.417 nan 8.380 nan 0.000 0.492 1103 L N 4.256 125.345 121.223 -0.222 0.000 2.265 1103 L HA 0.465 4.804 4.340 -0.001 0.000 0.289 1103 L C 0.176 176.955 176.870 -0.151 0.000 1.033 1103 L CA -0.244 54.443 54.840 -0.254 0.000 0.814 1103 L CB 0.834 42.650 42.059 -0.405 0.000 1.203 1103 L HN 0.304 nan 8.230 nan 0.000 0.423 1104 R N 4.313 124.741 120.500 -0.119 0.000 2.310 1104 R HA 0.435 4.775 4.340 -0.001 0.000 0.316 1104 R C -2.599 173.669 176.300 -0.054 0.000 1.004 1104 R CA -1.846 54.214 56.100 -0.067 0.000 0.900 1104 R CB 1.420 31.686 30.300 -0.057 0.000 1.152 1104 R HN 0.251 nan 8.270 nan 0.000 0.513 1105 P HA 0.246 nan 4.420 nan 0.000 0.292 1105 P C -0.982 176.305 177.300 -0.022 0.000 1.287 1105 P CA -0.366 62.729 63.100 -0.008 0.000 0.800 1105 P CB 1.499 33.225 31.700 0.043 0.000 0.945 1106 A N 3.608 126.405 122.820 -0.039 0.000 2.328 1106 A HA 0.545 4.865 4.320 -0.001 0.000 0.318 1106 A C -0.302 177.224 177.584 -0.097 0.000 1.347 1106 A CA -0.484 51.518 52.037 -0.060 0.000 0.842 1106 A CB 0.184 19.157 19.000 -0.043 0.000 1.148 1106 A HN 0.426 nan 8.150 nan 0.000 0.499 1107 K N 2.171 122.455 120.400 -0.193 0.000 2.378 1107 K HA 0.635 4.955 4.320 -0.001 0.000 0.252 1107 K C -1.602 174.703 176.600 -0.491 0.000 0.931 1107 K CA -0.503 55.593 56.287 -0.318 0.000 0.794 1107 K CB 2.137 34.403 32.500 -0.390 0.000 1.181 1107 K HN 0.350 nan 8.250 nan 0.000 0.425 1108 V N 5.495 125.201 119.914 -0.347 0.000 2.328 1108 V HA 0.341 4.461 4.120 -0.001 0.000 0.278 1108 V C -0.560 175.397 176.094 -0.229 0.000 1.021 1108 V CA -0.621 61.522 62.300 -0.261 0.000 0.838 1108 V CB 0.293 32.059 31.823 -0.096 0.000 0.999 1108 V HN 0.618 nan 8.190 nan 0.000 0.447 1109 F N 5.948 125.914 119.950 0.027 0.000 2.443 1109 F HA 0.326 4.853 4.527 -0.001 0.000 0.353 1109 F C -1.662 174.147 175.800 0.015 0.000 1.101 1109 F CA -2.233 55.779 58.000 0.021 0.000 1.226 1109 F CB 0.506 39.517 39.000 0.019 0.000 1.140 1109 F HN 0.313 nan 8.300 nan 0.000 0.557 1110 P HA 0.025 nan 4.420 nan 0.000 0.261 1110 P C 0.719 178.076 177.300 0.096 0.000 1.173 1110 P CA 1.487 64.653 63.100 0.111 0.000 0.760 1110 P CB 0.498 32.252 31.700 0.090 0.000 0.783 1111 G N 2.841 111.682 108.800 0.068 0.000 2.358 1111 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.224 1111 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.224 1111 G C 0.576 175.513 174.900 0.062 0.000 1.073 1111 G CA -0.248 44.884 45.100 0.054 0.000 0.635 1111 G HN 0.467 nan 8.290 nan 0.000 0.509 1112 L N 1.655 122.932 121.223 0.090 0.000 2.612 1112 L HA 0.285 4.624 4.340 -0.001 0.000 0.230 1112 L C 2.184 179.092 176.870 0.062 0.000 1.140 1112 L CA 1.374 56.268 54.840 0.090 0.000 0.896 1112 L CB -0.510 41.635 42.059 0.144 0.000 1.065 1112 L HN 0.379 nan 8.230 nan 0.000 0.447 1113 E N 0.072 120.300 120.200 0.048 0.000 2.171 1113 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 1113 E C 2.127 178.743 176.600 0.028 0.000 0.997 1113 E CA 0.818 57.236 56.400 0.030 0.000 0.810 1113 E CB -0.039 29.676 29.700 0.025 0.000 0.738 1113 E HN 0.278 nan 8.360 nan 0.000 0.467 1114 R N 0.153 120.672 120.500 0.032 0.000 2.139 1114 R HA -0.131 4.208 4.340 -0.001 0.000 0.243 1114 R C 2.200 178.516 176.300 0.027 0.000 1.145 1114 R CA 0.997 57.113 56.100 0.028 0.000 0.976 1114 R CB -0.618 29.700 30.300 0.029 0.000 0.866 1114 R HN 0.326 nan 8.270 nan 0.000 0.449 1115 L N 0.532 121.775 121.223 0.033 0.000 2.291 1115 L HA -0.001 4.339 4.340 -0.001 0.000 0.214 1115 L C 1.397 178.281 176.870 0.022 0.000 1.120 1115 L CA 0.211 55.070 54.840 0.031 0.000 0.799 1115 L CB -0.334 41.751 42.059 0.044 0.000 0.925 1115 L HN -0.000 nan 8.230 nan 0.000 0.446 1116 S N -0.131 115.580 115.700 0.019 0.000 2.564 1116 S HA 0.148 4.617 4.470 -0.001 0.000 0.278 1116 S C -1.445 173.162 174.600 0.012 0.000 1.333 1116 S CA -1.170 57.038 58.200 0.012 0.000 1.048 1116 S CB 1.172 64.377 63.200 0.009 0.000 0.900 1116 S HN -0.065 nan 8.310 nan 0.000 0.505 1117 P HA 0.131 nan 4.420 nan 0.000 0.231 1117 P C -0.439 176.866 177.300 0.009 0.000 1.168 1117 P CA 0.241 63.346 63.100 0.008 0.000 0.779 1117 P CB 0.162 31.866 31.700 0.006 0.000 0.844 1118 L N -0.159 121.070 121.223 0.010 0.000 2.439 1118 L HA 0.177 4.516 4.340 -0.001 0.000 0.261 1118 L C 0.831 177.708 176.870 0.012 0.000 1.153 1118 L CA -0.452 54.395 54.840 0.012 0.000 0.808 1118 L CB -0.154 41.913 42.059 0.013 0.000 1.126 1118 L HN -0.209 nan 8.230 nan 0.000 0.460 1119 K N 1.028 121.436 120.400 0.012 0.000 2.448 1119 K HA -0.055 4.265 4.320 -0.001 0.000 0.278 1119 K C 1.030 177.637 176.600 0.012 0.000 1.009 1119 K CA 0.237 56.531 56.287 0.011 0.000 0.995 1119 K CB 0.378 32.884 32.500 0.011 0.000 0.917 1119 K HN 0.557 nan 8.250 nan 0.000 0.481 1120 E N 2.871 123.078 120.200 0.012 0.000 2.187 1120 E HA -0.290 4.059 4.350 -0.001 0.000 0.199 1120 E C 0.732 177.338 176.600 0.011 0.000 1.004 1120 E CA 1.677 58.084 56.400 0.012 0.000 0.813 1120 E CB 0.245 29.953 29.700 0.013 0.000 0.736 1120 E HN 0.558 nan 8.360 nan 0.000 0.468 1121 E N 0.271 120.476 120.200 0.009 0.000 2.077 1121 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 1121 E C 2.365 178.969 176.600 0.006 0.000 0.989 1121 E CA 1.544 57.948 56.400 0.007 0.000 0.800 1121 E CB -0.350 29.353 29.700 0.006 0.000 0.746 1121 E HN 0.588 nan 8.360 nan 0.000 0.452 1122 I N -2.297 118.279 120.570 0.010 0.000 3.030 1122 I HA 0.189 4.358 4.170 -0.001 0.000 0.270 1122 I C 2.124 178.250 176.117 0.015 0.000 1.211 1122 I CA 0.671 61.979 61.300 0.013 0.000 1.479 1122 I CB 0.161 38.173 38.000 0.019 0.000 1.105 1122 I HN -0.087 nan 8.210 nan 0.000 0.447 1123 A N 1.642 124.469 122.820 0.012 0.000 2.132 1123 A HA 0.093 4.412 4.320 -0.001 0.000 0.213 1123 A C 1.597 179.183 177.584 0.004 0.000 1.154 1123 A CA -0.127 51.915 52.037 0.008 0.000 0.753 1123 A CB -0.325 18.679 19.000 0.007 0.000 0.826 1123 A HN 0.496 nan 8.150 nan 0.000 0.469 1124 R N 0.108 120.612 120.500 0.006 0.000 2.484 1124 R HA 0.305 4.645 4.340 -0.001 0.000 0.293 1124 R C 1.032 177.334 176.300 0.003 0.000 1.023 1124 R CA 0.985 57.089 56.100 0.007 0.000 1.037 1124 R CB -0.205 30.101 30.300 0.009 0.000 0.951 1124 R HN 0.741 nan 8.270 nan 0.000 0.418 1125 G N 2.661 111.463 108.800 0.004 0.000 2.162 1125 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.260 1125 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.260 1125 G C 0.024 174.923 174.900 -0.002 0.000 0.976 1125 G CA 0.147 45.250 45.100 0.004 0.000 0.655 1125 G HN 0.544 nan 8.290 nan 0.000 0.533 1126 V N 0.972 120.881 119.914 -0.009 0.000 2.572 1126 V HA 0.481 4.601 4.120 -0.001 0.000 0.291 1126 V C 0.319 176.398 176.094 -0.024 0.000 1.039 1126 V CA 0.879 63.177 62.300 -0.004 0.000 1.055 1126 V CB 1.669 33.491 31.823 -0.002 0.000 0.969 1126 V HN 0.408 nan 8.190 nan 0.000 0.482 1127 D N 3.904 124.306 120.400 0.004 0.000 2.527 1127 D HA 0.229 4.868 4.640 -0.001 0.000 0.242 1127 D C -1.093 175.228 176.300 0.035 0.000 1.285 1127 D CA -0.157 53.843 54.000 0.000 0.000 0.886 1127 D CB 1.459 42.269 40.800 0.017 0.000 1.402 1127 D HN 0.347 nan 8.370 nan 0.000 0.528 1128 V N 3.012 122.942 119.914 0.026 0.000 2.667 1128 V HA 0.766 4.885 4.120 -0.001 0.000 0.308 1128 V C -1.347 174.748 176.094 0.002 0.000 1.048 1128 V CA -0.766 61.558 62.300 0.040 0.000 0.928 1128 V CB 1.769 33.625 31.823 0.055 0.000 1.004 1128 V HN 0.409 nan 8.190 nan 0.000 0.444 1129 L N 7.354 128.570 121.223 -0.012 0.000 2.372 1129 L HA 0.613 4.952 4.340 -0.001 0.000 0.274 1129 L C -0.814 175.999 176.870 -0.095 0.000 0.988 1129 L CA -0.232 54.578 54.840 -0.051 0.000 0.833 1129 L CB 1.477 43.510 42.059 -0.042 0.000 1.236 1129 L HN 0.545 nan 8.230 nan 0.000 0.410 1130 I N 6.215 126.723 120.570 -0.104 0.000 2.342 1130 I HA 0.294 4.463 4.170 -0.001 0.000 0.291 1130 I C -0.227 175.807 176.117 -0.138 0.000 1.010 1130 I CA -0.546 60.684 61.300 -0.116 0.000 1.308 1130 I CB 1.377 39.319 38.000 -0.096 0.000 1.400 1130 I HN 0.271 nan 8.210 nan 0.000 0.488 1131 V N 7.479 127.309 119.914 -0.141 0.000 2.293 1131 V HA 0.345 4.465 4.120 -0.001 0.000 0.275 1131 V C 0.481 176.535 176.094 -0.066 0.000 1.021 1131 V CA -0.734 61.477 62.300 -0.147 0.000 0.815 1131 V CB 1.184 32.902 31.823 -0.176 0.000 1.025 1131 V HN 0.740 nan 8.190 nan 0.000 0.448 1132 R N 3.680 124.150 120.500 -0.050 0.000 2.428 1132 R HA 0.383 4.723 4.340 -0.001 0.000 0.294 1132 R C -0.182 176.157 176.300 0.066 0.000 1.000 1132 R CA -0.621 55.477 56.100 -0.003 0.000 0.960 1132 R CB 1.326 31.619 30.300 -0.012 0.000 1.076 1132 R HN 0.579 nan 8.270 nan 0.000 0.475 1133 E N 4.882 125.156 120.200 0.122 0.000 2.265 1133 E HA -0.007 4.343 4.350 -0.001 0.000 0.272 1133 E C 0.391 177.126 176.600 0.225 0.000 1.067 1133 E CA 0.104 56.646 56.400 0.237 0.000 0.900 1133 E CB 0.938 30.843 29.700 0.341 0.000 1.017 1133 E HN 0.717 nan 8.360 nan 0.000 0.431 1134 L N 2.887 124.248 121.223 0.231 0.000 2.071 1134 L HA -0.056 4.284 4.340 -0.001 0.000 0.201 1134 L C 1.352 178.415 176.870 0.322 0.000 1.076 1134 L CA 1.209 56.185 54.840 0.226 0.000 0.755 1134 L CB -0.131 42.008 42.059 0.132 0.000 0.915 1134 L HN 0.497 nan 8.230 nan 0.000 0.445 1135 T N -0.710 114.000 114.554 0.260 0.000 2.997 1135 T HA 0.602 4.952 4.350 -0.001 0.000 0.311 1135 T C 0.027 174.871 174.700 0.241 0.000 1.079 1135 T CA -0.053 62.156 62.100 0.181 0.000 0.982 1135 T CB 0.414 69.320 68.868 0.063 0.000 1.032 1135 T HN 0.486 nan 8.240 nan 0.000 0.581 1136 G N 0.641 109.678 108.800 0.395 0.000 2.362 1136 G HA2 0.583 4.542 3.960 -0.001 0.000 0.288 1136 G HA3 0.583 4.542 3.960 -0.001 0.000 0.288 1136 G C -0.080 174.743 174.900 -0.127 0.000 1.305 1136 G CA -0.109 45.056 45.100 0.109 0.000 0.910 1136 G HN 1.812 nan 8.290 nan 0.000 0.518 1137 G N -1.258 107.127 108.800 -0.691 0.000 2.568 1137 G HA2 0.046 4.005 3.960 -0.001 0.000 0.222 1137 G HA3 0.046 4.005 3.960 -0.001 0.000 0.222 1137 G C 1.141 175.812 174.900 -0.382 0.000 1.321 1137 G CA 0.419 45.125 45.100 -0.655 0.000 0.893 1137 G HN 1.811 nan 8.290 nan 0.000 0.569 1138 I N 0.141 120.487 120.570 -0.373 0.000 2.546 1138 I HA 0.062 4.232 4.170 -0.001 0.000 0.255 1138 I C 2.409 178.421 176.117 -0.175 0.000 1.163 1138 I CA 1.163 62.315 61.300 -0.247 0.000 1.457 1138 I CB -0.158 37.702 38.000 -0.234 0.000 1.092 1138 I HN 0.616 nan 8.210 nan 0.000 0.434 1139 Y N -0.266 119.789 120.300 -0.408 0.000 2.274 1139 Y HA -0.201 4.348 4.550 -0.001 0.000 0.290 1139 Y C 1.028 176.474 175.900 -0.758 0.000 1.145 1139 Y CA 0.503 58.192 58.100 -0.684 0.000 1.203 1139 Y CB 0.044 37.850 38.460 -1.090 0.000 0.984 1139 Y HN 0.134 nan 8.280 nan 0.000 0.533 1140 F N -0.684 119.305 119.950 0.066 0.000 2.814 1140 F HA 0.368 4.895 4.527 -0.001 0.000 0.326 1140 F C 0.819 176.595 175.800 -0.041 0.000 1.159 1140 F CA -0.895 57.108 58.000 0.006 0.000 1.234 1140 F CB 0.029 39.031 39.000 0.003 0.000 1.016 1140 F HN -0.253 nan 8.300 nan 0.000 0.510 1141 G N 0.448 109.268 108.800 0.033 0.000 2.377 1141 G HA2 0.528 4.488 3.960 -0.001 0.000 0.299 1141 G HA3 0.528 4.488 3.960 -0.001 0.000 0.299 1141 G C -0.396 174.521 174.900 0.029 0.000 1.150 1141 G CA -0.247 44.851 45.100 -0.003 0.000 0.847 1141 G HN 0.002 nan 8.290 nan 0.000 0.501 1142 E N 1.588 121.809 120.200 0.035 0.000 2.212 1142 E HA 0.361 4.711 4.350 -0.001 0.000 0.268 1142 E C -2.174 174.469 176.600 0.072 0.000 0.902 1142 E CA -1.402 55.036 56.400 0.063 0.000 0.779 1142 E CB 2.789 32.521 29.700 0.053 0.000 1.172 1142 E HN 0.369 nan 8.360 nan 0.000 0.409 1143 P HA 0.317 nan 4.420 nan 0.000 0.276 1143 P C -0.506 176.975 177.300 0.301 0.000 1.261 1143 P CA -0.361 62.876 63.100 0.228 0.000 0.800 1143 P CB 1.333 33.199 31.700 0.277 0.000 1.066 1144 R N -1.472 119.173 120.500 0.241 0.000 2.733 1144 R HA 0.799 5.138 4.340 -0.001 0.000 0.272 1144 R C -0.713 175.226 176.300 -0.602 0.000 1.029 1144 R CA -0.744 55.227 56.100 -0.214 0.000 0.888 1144 R CB 0.953 31.165 30.300 -0.148 0.000 1.251 1144 R HN 0.752 nan 8.270 nan 0.000 0.464 1145 G N 0.271 108.367 108.800 -1.173 0.000 2.357 1145 G HA2 0.343 4.302 3.960 -0.001 0.000 0.289 1145 G HA3 0.343 4.302 3.960 -0.001 0.000 0.289 1145 G C -1.353 172.689 174.900 -1.429 0.000 1.302 1145 G CA -0.460 43.973 45.100 -1.112 0.000 0.936 1145 G HN 0.993 nan 8.290 nan 0.000 0.513 1146 M N -1.385 117.707 119.600 -0.848 0.000 2.605 1146 M HA 0.788 5.267 4.480 -0.001 0.000 0.281 1146 M C -0.401 175.860 176.300 -0.065 0.000 1.166 1146 M CA -0.403 54.648 55.300 -0.415 0.000 0.875 1146 M CB 1.865 34.312 32.600 -0.255 0.000 1.732 1146 M HN 1.754 nan 8.290 nan 0.000 0.504 1147 S N -0.550 115.207 115.700 0.096 0.000 2.841 1147 S HA 0.500 4.970 4.470 -0.001 0.000 0.318 1147 S C 0.366 175.005 174.600 0.065 0.000 1.127 1147 S CA -0.174 58.093 58.200 0.113 0.000 0.883 1147 S CB 1.330 64.641 63.200 0.184 0.000 1.271 1147 S HN 0.913 nan 8.310 nan 0.000 0.567 1148 E N -0.352 119.881 120.200 0.055 0.000 2.482 1148 E HA 0.193 4.543 4.350 -0.001 0.000 0.196 1148 E C 0.968 177.591 176.600 0.039 0.000 1.047 1148 E CA 0.698 57.119 56.400 0.035 0.000 0.869 1148 E CB -0.112 29.604 29.700 0.027 0.000 0.836 1148 E HN 0.654 nan 8.360 nan 0.000 0.520 1149 A N 0.661 123.516 122.820 0.058 0.000 2.585 1149 A HA 0.233 4.553 4.320 -0.001 0.000 0.266 1149 A C 0.133 177.762 177.584 0.074 0.000 1.178 1149 A CA -0.158 51.911 52.037 0.054 0.000 0.966 1149 A CB 0.503 19.529 19.000 0.043 0.000 1.170 1149 A HN 0.226 nan 8.150 nan 0.000 0.558 1150 E N -1.564 118.704 120.200 0.112 0.000 2.409 1150 E HA 0.630 4.980 4.350 -0.001 0.000 0.280 1150 E C -1.742 174.990 176.600 0.221 0.000 1.079 1150 E CA -0.253 56.245 56.400 0.164 0.000 0.840 1150 E CB 1.412 31.224 29.700 0.187 0.000 1.309 1150 E HN 0.655 nan 8.360 nan 0.000 0.447 1151 A N 1.209 124.181 122.820 0.253 0.000 2.606 1151 A HA 0.826 5.146 4.320 -0.001 0.000 0.293 1151 A C -2.203 175.560 177.584 0.299 0.000 1.082 1151 A CA -0.330 51.779 52.037 0.120 0.000 0.685 1151 A CB 0.867 19.836 19.000 -0.052 0.000 1.284 1151 A HN 0.721 nan 8.150 nan 0.000 0.408 1152 W N 0.547 121.842 121.300 -0.008 0.000 3.146 1152 W HA 0.782 5.441 4.660 -0.001 0.000 0.319 1152 W C -1.477 175.034 176.519 -0.013 0.000 1.258 1152 W CA -0.541 56.798 57.345 -0.010 0.000 1.189 1152 W CB 1.038 30.492 29.460 -0.011 0.000 1.412 1152 W HN 0.642 nan 8.180 nan 0.000 0.567 1153 N N 0.475 119.247 118.700 0.120 0.000 2.494 1153 N HA 0.539 5.279 4.740 -0.001 0.000 0.270 1153 N C -1.730 173.834 175.510 0.090 0.000 1.285 1153 N CA -0.740 52.326 53.050 0.027 0.000 0.812 1153 N CB 2.735 41.203 38.487 -0.033 0.000 1.557 1153 N HN 0.444 nan 8.380 nan 0.000 0.487 1154 T N 0.617 115.202 114.554 0.051 0.000 2.815 1154 T HA 0.183 4.533 4.350 -0.001 0.000 0.289 1154 T C -0.293 174.382 174.700 -0.042 0.000 1.000 1154 T CA -0.462 61.657 62.100 0.030 0.000 0.958 1154 T CB 1.485 70.386 68.868 0.056 0.000 0.944 1154 T HN 0.426 nan 8.240 nan 0.000 0.442 1155 E N 3.152 123.319 120.200 -0.055 0.000 2.052 1155 E HA 0.327 4.677 4.350 -0.001 0.000 0.283 1155 E C -0.165 176.385 176.600 -0.084 0.000 1.071 1155 E CA -0.441 55.895 56.400 -0.106 0.000 0.851 1155 E CB 0.475 30.123 29.700 -0.087 0.000 1.066 1155 E HN 0.412 nan 8.360 nan 0.000 0.396 1156 R N 4.163 124.566 120.500 -0.163 0.000 2.628 1156 R HA 0.426 4.765 4.340 -0.001 0.000 0.288 1156 R C -1.683 174.478 176.300 -0.231 0.000 0.980 1156 R CA -0.723 55.300 56.100 -0.128 0.000 0.891 1156 R CB 0.926 31.163 30.300 -0.105 0.000 1.188 1156 R HN 0.509 nan 8.270 nan 0.000 0.450 1157 Y N 0.829 121.128 120.300 -0.002 0.000 2.457 1157 Y HA 0.268 4.817 4.550 -0.001 0.000 0.343 1157 Y C -0.193 175.730 175.900 0.038 0.000 0.994 1157 Y CA -0.359 57.806 58.100 0.108 0.000 1.031 1157 Y CB 2.527 41.172 38.460 0.309 0.000 1.246 1157 Y HN 0.697 nan 8.280 nan 0.000 0.449 1158 S N 1.894 117.784 115.700 0.317 0.000 2.690 1158 S HA 0.432 4.902 4.470 -0.001 0.000 0.291 1158 S C 0.959 175.839 174.600 0.467 0.000 1.138 1158 S CA -0.905 57.438 58.200 0.239 0.000 1.013 1158 S CB 2.117 65.388 63.200 0.119 0.000 1.053 1158 S HN 0.781 nan 8.310 nan 0.000 0.539 1159 K N 0.831 121.511 120.400 0.468 0.000 2.032 1159 K HA -0.036 4.284 4.320 -0.001 0.000 0.209 1159 K C -1.019 175.610 176.600 0.048 0.000 1.048 1159 K CA 1.612 58.053 56.287 0.257 0.000 0.927 1159 K CB -1.267 31.349 32.500 0.193 0.000 0.712 1159 K HN 0.475 nan 8.250 nan 0.000 0.441 1160 P HA -0.158 nan 4.420 nan 0.000 0.215 1160 P C 0.482 177.733 177.300 -0.080 0.000 1.157 1160 P CA 1.402 64.480 63.100 -0.036 0.000 0.868 1160 P CB 0.033 31.718 31.700 -0.024 0.000 0.788 1161 E N -0.560 119.644 120.200 0.007 0.000 2.086 1161 E HA -0.167 4.183 4.350 -0.001 0.000 0.200 1161 E C 1.942 178.523 176.600 -0.032 0.000 1.012 1161 E CA 1.411 57.835 56.400 0.040 0.000 0.812 1161 E CB -0.774 29.094 29.700 0.280 0.000 0.743 1161 E HN 0.065 nan 8.360 nan 0.000 0.453 1162 V N 1.411 121.270 119.914 -0.092 0.000 2.307 1162 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 1162 V C 2.088 177.944 176.094 -0.397 0.000 1.045 1162 V CA 1.871 63.909 62.300 -0.436 0.000 1.024 1162 V CB -0.526 30.908 31.823 -0.649 0.000 0.651 1162 V HN 0.230 nan 8.190 nan 0.000 0.449 1163 E N 0.098 120.135 120.200 -0.271 0.000 2.058 1163 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 1163 E C 2.464 178.965 176.600 -0.165 0.000 0.997 1163 E CA 1.337 57.617 56.400 -0.200 0.000 0.801 1163 E CB -0.229 29.386 29.700 -0.142 0.000 0.746 1163 E HN 0.539 nan 8.360 nan 0.000 0.450 1164 R N 0.478 120.833 120.500 -0.242 0.000 2.097 1164 R HA -0.174 4.166 4.340 -0.001 0.000 0.236 1164 R C 2.787 179.012 176.300 -0.125 0.000 1.135 1164 R CA 1.953 57.837 56.100 -0.360 0.000 0.934 1164 R CB -0.907 28.809 30.300 -0.974 0.000 0.846 1164 R HN 0.246 nan 8.270 nan 0.000 0.431 1165 V N -1.338 118.534 119.914 -0.071 0.000 2.427 1165 V HA -0.091 4.029 4.120 -0.001 0.000 0.248 1165 V C 2.271 178.394 176.094 0.047 0.000 1.051 1165 V CA 1.770 64.148 62.300 0.130 0.000 1.048 1165 V CB -0.921 31.015 31.823 0.189 0.000 0.666 1165 V HN 0.308 nan 8.190 nan 0.000 0.456 1166 A N 0.687 123.470 122.820 -0.061 0.000 1.883 1166 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 1166 A C 2.389 180.016 177.584 0.073 0.000 1.186 1166 A CA 2.282 54.290 52.037 -0.048 0.000 0.624 1166 A CB -0.744 18.204 19.000 -0.087 0.000 0.822 1166 A HN 0.567 nan 8.150 nan 0.000 0.444 1167 R N -0.554 119.992 120.500 0.075 0.000 2.096 1167 R HA -0.125 4.214 4.340 -0.001 0.000 0.240 1167 R C 1.945 178.292 176.300 0.078 0.000 1.139 1167 R CA 1.907 58.058 56.100 0.085 0.000 0.952 1167 R CB -0.751 29.622 30.300 0.122 0.000 0.854 1167 R HN 0.314 nan 8.270 nan 0.000 0.436 1168 V N 0.413 120.413 119.914 0.142 0.000 2.407 1168 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 1168 V C 2.291 178.494 176.094 0.182 0.000 1.055 1168 V CA 1.858 64.285 62.300 0.211 0.000 1.049 1168 V CB -0.813 31.138 31.823 0.212 0.000 0.662 1168 V HN 0.540 nan 8.190 nan 0.000 0.455 1169 A N -0.181 122.640 122.820 0.002 0.000 1.845 1169 A HA -0.199 4.120 4.320 -0.001 0.000 0.215 1169 A C 2.061 179.529 177.584 -0.193 0.000 1.195 1169 A CA 1.979 53.931 52.037 -0.142 0.000 0.616 1169 A CB -0.835 17.981 19.000 -0.306 0.000 0.832 1169 A HN 0.462 nan 8.150 nan 0.000 0.443 1170 F N 0.238 120.048 119.950 -0.233 0.000 2.126 1170 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 1170 F C 2.627 178.282 175.800 -0.242 0.000 1.096 1170 F CA 1.525 59.289 58.000 -0.394 0.000 1.255 1170 F CB -0.161 38.196 39.000 -1.072 0.000 0.997 1170 F HN 0.183 nan 8.300 nan 0.000 0.479 1171 E N -0.109 120.086 120.200 -0.010 0.000 2.058 1171 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 1171 E C 2.188 178.798 176.600 0.018 0.000 0.997 1171 E CA 1.425 57.873 56.400 0.080 0.000 0.801 1171 E CB -0.715 29.044 29.700 0.099 0.000 0.746 1171 E HN 0.371 nan 8.360 nan 0.000 0.450 1172 F N 0.853 120.799 119.950 -0.007 0.000 2.234 1172 F HA -0.070 4.456 4.527 -0.001 0.000 0.299 1172 F C 2.379 178.186 175.800 0.012 0.000 1.087 1172 F CA 0.851 58.852 58.000 0.001 0.000 1.340 1172 F CB -0.482 38.490 39.000 -0.047 0.000 1.031 1172 F HN -0.012 nan 8.300 nan 0.000 0.500 1173 A N 0.259 123.162 122.820 0.138 0.000 1.908 1173 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 1173 A C 2.359 180.007 177.584 0.108 0.000 1.181 1173 A CA 1.637 53.728 52.037 0.090 0.000 0.627 1173 A CB -0.643 18.378 19.000 0.036 0.000 0.818 1173 A HN 0.283 nan 8.150 nan 0.000 0.445 1174 R N -0.216 120.352 120.500 0.114 0.000 2.083 1174 R HA -0.117 4.222 4.340 -0.001 0.000 0.237 1174 R C 1.857 178.195 176.300 0.063 0.000 1.137 1174 R CA 1.688 57.851 56.100 0.106 0.000 0.951 1174 R CB -0.289 30.088 30.300 0.129 0.000 0.851 1174 R HN 0.507 nan 8.270 nan 0.000 0.434 1175 K N -0.017 120.398 120.400 0.025 0.000 2.504 1175 K HA -0.034 4.286 4.320 -0.001 0.000 0.195 1175 K C 1.291 177.925 176.600 0.057 0.000 1.036 1175 K CA 0.639 56.931 56.287 0.009 0.000 0.984 1175 K CB 0.247 32.704 32.500 -0.073 0.000 0.788 1175 K HN 0.158 nan 8.250 nan 0.000 0.488 1176 R N 0.009 120.560 120.500 0.085 0.000 2.328 1176 R HA 0.300 4.639 4.340 -0.001 0.000 0.114 1176 R C 1.025 177.376 176.300 0.085 0.000 1.543 1176 R CA -0.573 55.587 56.100 0.099 0.000 1.352 1176 R CB 0.195 30.573 30.300 0.131 0.000 1.142 1176 R HN -0.141 nan 8.270 nan 0.000 0.443 1177 R N 1.251 121.806 120.500 0.092 0.000 2.466 1177 R HA 0.188 4.528 4.340 -0.001 0.000 0.279 1177 R C -0.586 175.777 176.300 0.105 0.000 0.976 1177 R CA 0.003 56.155 56.100 0.086 0.000 1.081 1177 R CB 0.204 30.552 30.300 0.079 0.000 1.215 1177 R HN 0.343 nan 8.270 nan 0.000 0.546 1178 K N 1.193 121.661 120.400 0.114 0.000 3.278 1178 K HA -0.240 4.080 4.320 -0.001 0.000 0.270 1178 K C -0.856 175.856 176.600 0.187 0.000 0.955 1178 K CA 0.837 57.205 56.287 0.135 0.000 0.723 1178 K CB -1.327 31.244 32.500 0.118 0.000 1.382 1178 K HN 0.366 nan 8.250 nan 0.000 0.461 1179 H N -1.370 117.725 119.070 0.041 0.000 3.096 1179 H HA 0.467 5.022 4.556 -0.001 0.000 0.335 1179 H C -1.433 173.887 175.328 -0.014 0.000 0.990 1179 H CA -0.650 55.412 56.048 0.023 0.000 1.393 1179 H CB 1.190 30.963 29.762 0.017 0.000 1.742 1179 H HN -0.036 nan 8.280 nan 0.000 0.501 1180 V N 5.773 125.456 119.914 -0.385 0.000 2.555 1180 V HA 0.502 4.622 4.120 -0.001 0.000 0.302 1180 V C -0.488 175.274 176.094 -0.553 0.000 1.038 1180 V CA -0.818 61.179 62.300 -0.505 0.000 0.887 1180 V CB 1.923 33.361 31.823 -0.641 0.000 0.991 1180 V HN 0.631 nan 8.190 nan 0.000 0.434 1181 V N 3.231 122.876 119.914 -0.449 0.000 2.444 1181 V HA 0.422 4.542 4.120 -0.001 0.000 0.294 1181 V C 0.090 176.050 176.094 -0.222 0.000 1.022 1181 V CA -0.319 61.807 62.300 -0.290 0.000 0.850 1181 V CB 1.910 33.632 31.823 -0.169 0.000 0.992 1181 V HN 0.863 nan 8.190 nan 0.000 0.426 1182 S N 4.324 119.909 115.700 -0.191 0.000 2.475 1182 S HA 0.617 5.086 4.470 -0.001 0.000 0.281 1182 S C -0.516 174.120 174.600 0.059 0.000 1.198 1182 S CA -0.434 57.781 58.200 0.025 0.000 1.063 1182 S CB 1.048 64.354 63.200 0.177 0.000 0.972 1182 S HN 0.490 nan 8.310 nan 0.000 0.486 1183 V N 6.059 125.964 119.914 -0.014 0.000 2.370 1183 V HA 0.511 4.630 4.120 -0.001 0.000 0.283 1183 V C -0.276 175.747 176.094 -0.117 0.000 1.023 1183 V CA -0.562 61.687 62.300 -0.085 0.000 0.857 1183 V CB 1.069 32.800 31.823 -0.153 0.000 0.985 1183 V HN 1.026 nan 8.190 nan 0.000 0.443 1184 D N 3.807 124.215 120.400 0.013 0.000 2.895 1184 D HA 0.560 5.199 4.640 -0.001 0.000 0.320 1184 D C -0.507 175.946 176.300 0.254 0.000 1.249 1184 D CA -0.909 53.169 54.000 0.130 0.000 0.997 1184 D CB 1.479 42.384 40.800 0.176 0.000 1.430 1184 D HN 0.186 nan 8.370 nan 0.000 0.558 1185 K N -0.998 119.593 120.400 0.319 0.000 3.278 1185 K HA 0.622 4.941 4.320 -0.001 0.000 0.200 1185 K C 0.458 177.179 176.600 0.200 0.000 1.107 1185 K CA 0.075 56.507 56.287 0.242 0.000 0.923 1185 K CB 0.276 32.917 32.500 0.235 0.000 0.787 1185 K HN 0.482 nan 8.250 nan 0.000 0.481 1186 A N 0.928 123.942 122.820 0.324 0.000 1.940 1186 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 1186 A C 1.594 179.268 177.584 0.150 0.000 1.176 1186 A CA 2.004 54.200 52.037 0.265 0.000 0.631 1186 A CB -0.842 18.340 19.000 0.304 0.000 0.814 1186 A HN 0.785 nan 8.150 nan 0.000 0.446 1187 N N -0.487 118.211 118.700 -0.002 0.000 2.609 1187 N HA -0.045 4.694 4.740 -0.001 0.000 0.190 1187 N C 0.907 176.345 175.510 -0.119 0.000 1.157 1187 N CA 1.383 54.336 53.050 -0.162 0.000 0.918 1187 N CB -0.048 38.117 38.487 -0.536 0.000 0.978 1187 N HN 0.561 nan 8.380 nan 0.000 0.448 1188 V N -4.029 115.843 119.914 -0.070 0.000 3.221 1188 V HA 0.360 4.480 4.120 -0.001 0.000 0.254 1188 V C 0.167 176.270 176.094 0.016 0.000 1.586 1188 V CA -0.505 61.774 62.300 -0.035 0.000 1.074 1188 V CB 0.061 31.849 31.823 -0.059 0.000 0.912 1188 V HN 0.013 nan 8.190 nan 0.000 0.426 1189 L N 1.037 122.290 121.223 0.050 0.000 2.317 1189 L HA 0.596 4.935 4.340 -0.001 0.000 0.281 1189 L C 1.227 178.161 176.870 0.106 0.000 1.024 1189 L CA -0.532 54.355 54.840 0.079 0.000 0.810 1189 L CB 1.985 44.106 42.059 0.104 0.000 1.240 1189 L HN 0.008 nan 8.230 nan 0.000 0.427 1190 E N 1.585 121.841 120.200 0.094 0.000 2.085 1190 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 1190 E C 1.874 178.586 176.600 0.187 0.000 0.994 1190 E CA 0.950 57.419 56.400 0.115 0.000 0.801 1190 E CB -0.024 29.718 29.700 0.072 0.000 0.743 1190 E HN 0.502 nan 8.360 nan 0.000 0.453 1191 V N 0.307 120.332 119.914 0.184 0.000 2.594 1191 V HA -0.192 3.928 4.120 -0.001 0.000 0.253 1191 V C 2.120 178.419 176.094 0.341 0.000 1.069 1191 V CA 1.871 64.342 62.300 0.284 0.000 1.082 1191 V CB -0.944 31.020 31.823 0.235 0.000 0.680 1191 V HN 0.424 nan 8.190 nan 0.000 0.469 1192 G N -0.362 108.592 108.800 0.256 0.000 2.404 1192 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.215 1192 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.215 1192 G C 1.433 176.499 174.900 0.277 0.000 1.174 1192 G CA 0.736 45.997 45.100 0.269 0.000 0.780 1192 G HN 0.549 nan 8.290 nan 0.000 0.537 1193 E N -0.347 119.989 120.200 0.227 0.000 2.058 1193 E HA -0.126 4.223 4.350 -0.001 0.000 0.194 1193 E C 2.056 178.774 176.600 0.197 0.000 0.997 1193 E CA 0.965 57.473 56.400 0.179 0.000 0.801 1193 E CB -0.296 29.496 29.700 0.154 0.000 0.746 1193 E HN 0.449 nan 8.360 nan 0.000 0.450 1194 F N 0.925 120.945 119.950 0.117 0.000 2.126 1194 F HA -0.240 4.287 4.527 -0.001 0.000 0.299 1194 F C 2.158 178.017 175.800 0.097 0.000 1.096 1194 F CA 1.455 59.513 58.000 0.097 0.000 1.255 1194 F CB -0.075 38.992 39.000 0.112 0.000 0.997 1194 F HN 0.180 nan 8.300 nan 0.000 0.479 1195 W N 1.982 123.290 121.300 0.014 0.000 2.353 1195 W HA -0.239 4.421 4.660 -0.000 0.000 0.319 1195 W C 2.593 179.044 176.519 -0.112 0.000 1.207 1195 W CA 2.161 59.440 57.345 -0.109 0.000 1.291 1195 W CB -1.051 28.379 29.460 -0.049 0.000 1.159 1195 W HN 0.082 nan 8.180 nan 0.000 0.478 1196 R N 1.136 121.778 120.500 0.235 0.000 2.112 1196 R HA -0.266 4.074 4.340 -0.001 0.000 0.242 1196 R C 2.612 178.866 176.300 -0.076 0.000 1.137 1196 R CA 2.673 58.828 56.100 0.091 0.000 0.944 1196 R CB -0.835 29.433 30.300 -0.052 0.000 0.857 1196 R HN 0.076 nan 8.270 nan 0.000 0.435 1197 K N -0.469 119.862 120.400 -0.115 0.000 2.001 1197 K HA -0.161 4.158 4.320 -0.001 0.000 0.214 1197 K C 1.779 178.253 176.600 -0.210 0.000 1.050 1197 K CA 2.312 58.514 56.287 -0.142 0.000 0.934 1197 K CB -0.336 32.086 32.500 -0.130 0.000 0.718 1197 K HN 0.246 nan 8.250 nan 0.000 0.443 1198 T N 0.978 115.299 114.554 -0.388 0.000 2.788 1198 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 1198 T C 1.931 176.437 174.700 -0.323 0.000 1.044 1198 T CA 1.390 63.223 62.100 -0.444 0.000 1.139 1198 T CB -0.106 68.330 68.868 -0.721 0.000 0.867 1198 T HN 0.051 nan 8.240 nan 0.000 0.454 1199 V N 1.308 121.037 119.914 -0.309 0.000 2.323 1199 V HA -0.121 3.998 4.120 -0.001 0.000 0.244 1199 V C 2.571 178.714 176.094 0.081 0.000 1.041 1199 V CA 1.651 63.878 62.300 -0.122 0.000 1.025 1199 V CB -0.534 31.243 31.823 -0.076 0.000 0.656 1199 V HN 0.539 nan 8.190 nan 0.000 0.451 1200 E N 0.300 120.568 120.200 0.113 0.000 2.085 1200 E HA -0.309 4.040 4.350 -0.001 0.000 0.194 1200 E C 2.224 178.835 176.600 0.019 0.000 0.994 1200 E CA 1.868 58.352 56.400 0.139 0.000 0.801 1200 E CB -0.091 29.674 29.700 0.107 0.000 0.743 1200 E HN 0.734 nan 8.360 nan 0.000 0.453 1201 E N 0.085 120.259 120.200 -0.043 0.000 2.007 1201 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 1201 E C 2.192 178.738 176.600 -0.090 0.000 0.999 1201 E CA 1.689 58.045 56.400 -0.072 0.000 0.811 1201 E CB -0.009 29.630 29.700 -0.102 0.000 0.762 1201 E HN 0.192 nan 8.360 nan 0.000 0.450 1202 V N 1.063 120.918 119.914 -0.100 0.000 2.453 1202 V HA -0.234 3.886 4.120 -0.001 0.000 0.252 1202 V C 2.414 178.357 176.094 -0.253 0.000 1.068 1202 V CA 1.835 64.071 62.300 -0.106 0.000 1.070 1202 V CB -0.996 30.795 31.823 -0.054 0.000 0.664 1202 V HN 0.527 nan 8.190 nan 0.000 0.461 1203 G N -0.652 107.943 108.800 -0.343 0.000 2.470 1203 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.220 1203 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.220 1203 G C 1.708 176.423 174.900 -0.308 0.000 1.121 1203 G CA 0.443 45.152 45.100 -0.652 0.000 0.766 1203 G HN 0.427 nan 8.290 nan 0.000 0.553 1204 R N -0.139 120.262 120.500 -0.165 0.000 2.105 1204 R HA -0.075 4.264 4.340 -0.001 0.000 0.239 1204 R C 2.736 178.951 176.300 -0.142 0.000 1.135 1204 R CA 1.086 57.118 56.100 -0.113 0.000 0.967 1204 R CB -0.377 29.872 30.300 -0.085 0.000 0.861 1204 R HN 0.349 nan 8.270 nan 0.000 0.442 1205 G N -1.136 107.556 108.800 -0.181 0.000 2.744 1205 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.211 1205 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.211 1205 G C -0.052 174.513 174.900 -0.557 0.000 1.143 1205 G CA 0.224 45.129 45.100 -0.326 0.000 0.788 1205 G HN 0.257 nan 8.290 nan 0.000 0.534 1206 Y N -0.303 119.830 120.300 -0.279 0.000 2.562 1206 Y HA 0.335 4.885 4.550 -0.001 0.000 0.363 1206 Y C -1.810 174.016 175.900 -0.124 0.000 0.991 1206 Y CA -2.305 55.670 58.100 -0.208 0.000 1.121 1206 Y CB 1.755 40.026 38.460 -0.315 0.000 1.159 1206 Y HN 0.022 nan 8.280 nan 0.000 0.651 1207 P HA -0.119 nan 4.420 nan 0.000 0.226 1207 P C 0.949 178.278 177.300 0.049 0.000 1.153 1207 P CA 1.412 64.517 63.100 0.010 0.000 0.777 1207 P CB 0.354 32.040 31.700 -0.023 0.000 0.794 1208 D N -1.539 118.904 120.400 0.072 0.000 2.350 1208 D HA -0.006 4.634 4.640 -0.001 0.000 0.213 1208 D C 0.235 176.613 176.300 0.130 0.000 1.031 1208 D CA 0.309 54.360 54.000 0.084 0.000 0.861 1208 D CB -0.203 40.640 40.800 0.070 0.000 0.926 1208 D HN -0.003 nan 8.370 nan 0.000 0.520 1209 V N 1.325 121.354 119.914 0.191 0.000 2.370 1209 V HA 0.533 4.653 4.120 -0.001 0.000 0.279 1209 V C 0.334 176.576 176.094 0.246 0.000 1.029 1209 V CA -1.188 61.262 62.300 0.250 0.000 0.870 1209 V CB 1.212 33.278 31.823 0.406 0.000 0.984 1209 V HN 0.286 nan 8.190 nan 0.000 0.451 1210 A N 5.942 128.892 122.820 0.218 0.000 2.410 1210 A HA 0.536 4.856 4.320 -0.001 0.000 0.292 1210 A C -0.484 177.263 177.584 0.272 0.000 1.232 1210 A CA -0.075 52.095 52.037 0.221 0.000 0.893 1210 A CB -0.140 18.969 19.000 0.181 0.000 1.131 1210 A HN 0.738 nan 8.150 nan 0.000 0.530 1211 L N 2.041 123.391 121.223 0.212 0.000 2.399 1211 L HA 0.684 5.023 4.340 -0.001 0.000 0.266 1211 L C 0.193 177.095 176.870 0.052 0.000 1.114 1211 L CA 0.216 55.122 54.840 0.110 0.000 0.804 1211 L CB 1.144 43.305 42.059 0.170 0.000 1.146 1211 L HN 0.808 nan 8.230 nan 0.000 0.451 1212 E N 1.730 121.863 120.200 -0.112 0.000 2.380 1212 E HA 0.324 4.673 4.350 -0.001 0.000 0.281 1212 E C -1.794 174.650 176.600 -0.261 0.000 0.999 1212 E CA -0.713 55.660 56.400 -0.045 0.000 0.800 1212 E CB 0.988 30.805 29.700 0.195 0.000 1.228 1212 E HN 0.709 nan 8.360 nan 0.000 0.436 1213 H N 2.111 121.195 119.070 0.024 0.000 2.569 1213 H HA 0.458 5.013 4.556 -0.001 0.000 0.357 1213 H C -0.633 174.628 175.328 -0.111 0.000 1.153 1213 H CA -0.849 55.177 56.048 -0.035 0.000 1.193 1213 H CB 1.953 31.687 29.762 -0.048 0.000 1.602 1213 H HN 0.404 nan 8.280 nan 0.000 0.523 1214 Q N 1.852 121.630 119.800 -0.036 0.000 2.340 1214 Q HA 0.208 4.547 4.340 -0.001 0.000 0.276 1214 Q C -1.145 174.749 176.000 -0.177 0.000 1.048 1214 Q CA -0.806 54.920 55.803 -0.128 0.000 0.832 1214 Q CB 2.622 31.366 28.738 0.010 0.000 1.373 1214 Q HN 0.502 nan 8.270 nan 0.000 0.409 1215 Y N 0.187 120.489 120.300 0.002 0.000 2.336 1215 Y HA 0.035 4.584 4.550 -0.001 0.000 0.331 1215 Y C 1.596 177.383 175.900 -0.189 0.000 1.211 1215 Y CA -0.269 57.784 58.100 -0.078 0.000 1.346 1215 Y CB 0.514 38.938 38.460 -0.062 0.000 1.271 1215 Y HN 0.512 nan 8.280 nan 0.000 0.538 1216 V N 2.710 122.508 119.914 -0.193 0.000 2.453 1216 V HA -0.285 3.834 4.120 -0.001 0.000 0.252 1216 V C 1.644 177.562 176.094 -0.293 0.000 1.068 1216 V CA 2.698 64.741 62.300 -0.428 0.000 1.070 1216 V CB -0.397 30.788 31.823 -1.062 0.000 0.664 1216 V HN 1.010 nan 8.190 nan 0.000 0.461 1217 D N 0.272 120.551 120.400 -0.202 0.000 2.178 1217 D HA -0.115 4.524 4.640 -0.001 0.000 0.202 1217 D C 2.043 178.251 176.300 -0.153 0.000 0.974 1217 D CA 1.410 55.316 54.000 -0.158 0.000 0.841 1217 D CB -0.233 40.496 40.800 -0.118 0.000 0.953 1217 D HN 0.559 nan 8.370 nan 0.000 0.478 1218 A N 0.852 123.598 122.820 -0.123 0.000 1.929 1218 A HA -0.025 4.295 4.320 -0.001 0.000 0.216 1218 A C 2.344 179.681 177.584 -0.412 0.000 1.176 1218 A CA 0.811 52.701 52.037 -0.246 0.000 0.628 1218 A CB -0.366 18.590 19.000 -0.072 0.000 0.816 1218 A HN 0.036 nan 8.150 nan 0.000 0.444 1219 M N -0.151 119.329 119.600 -0.200 0.000 2.159 1219 M HA -0.109 4.371 4.480 -0.001 0.000 0.263 1219 M C 2.455 178.648 176.300 -0.178 0.000 1.063 1219 M CA 1.455 56.657 55.300 -0.165 0.000 1.110 1219 M CB -1.352 31.121 32.600 -0.213 0.000 1.374 1219 M HN 0.493 nan 8.290 nan 0.000 0.411 1220 A N -0.136 122.573 122.820 -0.185 0.000 1.940 1220 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 1220 A C 2.188 179.705 177.584 -0.112 0.000 1.176 1220 A CA 1.738 53.691 52.037 -0.140 0.000 0.631 1220 A CB -0.531 18.388 19.000 -0.135 0.000 0.814 1220 A HN 0.518 nan 8.150 nan 0.000 0.446 1221 M N -1.763 117.735 119.600 -0.169 0.000 2.123 1221 M HA -0.060 4.419 4.480 -0.001 0.000 0.263 1221 M C 2.148 178.436 176.300 -0.021 0.000 1.069 1221 M CA 1.170 56.390 55.300 -0.134 0.000 1.133 1221 M CB -0.563 31.899 32.600 -0.230 0.000 1.356 1221 M HN 0.440 nan 8.290 nan 0.000 0.415 1222 H N 0.125 119.228 119.070 0.054 0.000 2.387 1222 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 1222 H C 1.946 177.389 175.328 0.193 0.000 1.090 1222 H CA 1.259 57.405 56.048 0.163 0.000 1.332 1222 H CB -0.459 29.472 29.762 0.282 0.000 1.386 1222 H HN 0.193 nan 8.280 nan 0.000 0.516 1223 L N 0.378 121.701 121.223 0.166 0.000 2.465 1223 L HA -0.062 4.278 4.340 -0.001 0.000 0.224 1223 L C 2.082 179.005 176.870 0.088 0.000 1.145 1223 L CA 0.722 55.621 54.840 0.098 0.000 0.834 1223 L CB -0.135 41.901 42.059 -0.038 0.000 0.944 1223 L HN 0.026 nan 8.230 nan 0.000 0.451 1224 V N -1.934 118.027 119.914 0.077 0.000 2.922 1224 V HA 0.013 4.132 4.120 -0.001 0.000 0.242 1224 V C 2.438 178.572 176.094 0.066 0.000 1.094 1224 V CA 0.854 63.184 62.300 0.051 0.000 1.106 1224 V CB -0.055 31.781 31.823 0.022 0.000 0.799 1224 V HN 0.316 nan 8.190 nan 0.000 0.474 1225 R N 1.416 121.972 120.500 0.094 0.000 2.080 1225 R HA 0.008 4.347 4.340 -0.001 0.000 0.222 1225 R C 0.960 177.313 176.300 0.088 0.000 1.107 1225 R CA 1.359 57.511 56.100 0.087 0.000 0.980 1225 R CB 0.218 30.578 30.300 0.100 0.000 0.879 1225 R HN 0.562 nan 8.270 nan 0.000 0.439 1226 S N -0.487 115.292 115.700 0.132 0.000 2.359 1226 S HA 0.320 4.790 4.470 -0.001 0.000 0.148 1226 S C -2.147 172.536 174.600 0.138 0.000 1.610 1226 S CA -1.169 57.079 58.200 0.079 0.000 1.274 1226 S CB 1.738 64.938 63.200 0.001 0.000 1.380 1226 S HN 0.123 nan 8.310 nan 0.000 0.380 1227 P HA 0.018 nan 4.420 nan 0.000 0.221 1227 P C 1.484 178.901 177.300 0.194 0.000 1.150 1227 P CA 1.087 64.347 63.100 0.266 0.000 0.800 1227 P CB -0.016 31.772 31.700 0.147 0.000 0.787 1228 A N 1.330 124.183 122.820 0.055 0.000 2.121 1228 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 1228 A C 2.209 179.751 177.584 -0.071 0.000 1.154 1228 A CA 0.959 52.998 52.037 0.003 0.000 0.679 1228 A CB -1.120 17.872 19.000 -0.014 0.000 0.795 1228 A HN 0.322 nan 8.150 nan 0.000 0.458 1229 R N -1.897 118.466 120.500 -0.228 0.000 2.313 1229 R HA 0.239 4.579 4.340 -0.001 0.000 0.199 1229 R C -0.513 175.500 176.300 -0.478 0.000 0.958 1229 R CA -0.005 55.846 56.100 -0.416 0.000 1.047 1229 R CB -0.361 29.576 30.300 -0.605 0.000 0.955 1229 R HN 0.340 nan 8.270 nan 0.000 0.481 1230 F N 0.105 120.086 119.950 0.052 0.000 2.432 1230 F HA 0.290 4.817 4.527 -0.001 0.000 0.329 1230 F C 0.837 176.677 175.800 0.066 0.000 1.076 1230 F CA -0.996 57.055 58.000 0.085 0.000 1.018 1230 F CB 1.638 40.652 39.000 0.023 0.000 1.201 1230 F HN -0.133 nan 8.300 nan 0.000 0.489 1231 D N 0.336 120.901 120.400 0.275 0.000 3.013 1231 D HA 0.204 4.843 4.640 -0.001 0.000 0.235 1231 D C -0.714 175.624 176.300 0.064 0.000 1.540 1231 D CA 0.616 54.702 54.000 0.144 0.000 1.303 1231 D CB 0.315 41.205 40.800 0.149 0.000 0.980 1231 D HN 0.083 nan 8.370 nan 0.000 0.250 1232 V N 1.268 121.170 119.914 -0.021 0.000 2.547 1232 V HA 0.571 4.690 4.120 -0.001 0.000 0.299 1232 V C -0.404 175.590 176.094 -0.167 0.000 1.040 1232 V CA -0.774 61.473 62.300 -0.088 0.000 0.913 1232 V CB 1.910 33.674 31.823 -0.099 0.000 0.992 1232 V HN 0.137 nan 8.190 nan 0.000 0.449 1233 V N 4.783 124.599 119.914 -0.164 0.000 2.419 1233 V HA 0.373 4.492 4.120 -0.001 0.000 0.287 1233 V C -0.364 175.637 176.094 -0.155 0.000 1.017 1233 V CA -0.546 61.640 62.300 -0.191 0.000 0.844 1233 V CB 1.833 33.527 31.823 -0.214 0.000 1.011 1233 V HN 0.625 nan 8.190 nan 0.000 0.429 1234 V N 5.405 125.237 119.914 -0.135 0.000 2.427 1234 V HA 0.872 4.992 4.120 -0.001 0.000 0.286 1234 V C -0.004 176.112 176.094 0.037 0.000 1.034 1234 V CA 0.643 62.922 62.300 -0.034 0.000 0.893 1234 V CB 1.830 33.636 31.823 -0.029 0.000 0.982 1234 V HN 1.026 nan 8.190 nan 0.000 0.452 1235 T N 3.495 118.035 114.554 -0.022 0.000 2.711 1235 T HA 0.619 4.969 4.350 -0.001 0.000 0.302 1235 T C 0.090 174.478 174.700 -0.520 0.000 1.373 1235 T CA 0.130 62.030 62.100 -0.334 0.000 1.000 1235 T CB 1.218 69.960 68.868 -0.210 0.000 1.483 1235 T HN 1.103 nan 8.240 nan 0.000 0.499 1236 G N 1.190 109.502 108.800 -0.813 0.000 2.621 1236 G HA2 0.246 4.206 3.960 -0.001 0.000 0.271 1236 G HA3 0.246 4.206 3.960 -0.001 0.000 0.271 1236 G C 0.935 175.687 174.900 -0.247 0.000 1.236 1236 G CA -0.195 44.543 45.100 -0.603 0.000 0.958 1236 G HN 0.688 nan 8.290 nan 0.000 0.512 1237 N N -0.533 118.091 118.700 -0.127 0.000 1.997 1237 N HA -0.163 4.577 4.740 -0.001 0.000 0.198 1237 N C 2.292 177.632 175.510 -0.284 0.000 1.063 1237 N CA 1.573 54.527 53.050 -0.160 0.000 0.860 1237 N CB -0.393 37.957 38.487 -0.229 0.000 1.063 1237 N HN 0.507 nan 8.380 nan 0.000 0.424 1238 I N -0.024 120.190 120.570 -0.594 0.000 2.226 1238 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 1238 I C 1.656 177.761 176.117 -0.019 0.000 1.100 1238 I CA 1.127 62.184 61.300 -0.406 0.000 1.374 1238 I CB -0.132 37.558 38.000 -0.517 0.000 1.057 1238 I HN -0.002 nan 8.210 nan 0.000 0.413 1239 F N 1.278 121.106 119.950 -0.202 0.000 2.161 1239 F HA -0.099 4.428 4.527 -0.001 0.000 0.300 1239 F C 2.581 178.292 175.800 -0.149 0.000 1.089 1239 F CA 1.082 58.977 58.000 -0.175 0.000 1.282 1239 F CB -1.890 36.969 39.000 -0.234 0.000 1.010 1239 F HN 0.148 nan 8.300 nan 0.000 0.485 1240 G N -0.802 108.024 108.800 0.043 0.000 2.422 1240 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 1240 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 1240 G C 1.579 176.486 174.900 0.012 0.000 1.140 1240 G CA 0.766 45.862 45.100 -0.007 0.000 0.775 1240 G HN 0.216 nan 8.290 nan 0.000 0.545 1241 D N 0.734 121.162 120.400 0.046 0.000 2.084 1241 D HA -0.078 4.562 4.640 -0.001 0.000 0.194 1241 D C 2.650 178.975 176.300 0.043 0.000 0.990 1241 D CA 0.661 54.703 54.000 0.070 0.000 0.826 1241 D CB -0.083 40.809 40.800 0.153 0.000 0.971 1241 D HN 0.353 nan 8.370 nan 0.000 0.453 1242 I N 0.671 121.269 120.570 0.047 0.000 2.142 1242 I HA -0.260 3.909 4.170 -0.001 0.000 0.240 1242 I C 2.575 178.680 176.117 -0.019 0.000 1.078 1242 I CA 0.729 62.039 61.300 0.017 0.000 1.343 1242 I CB -0.308 37.701 38.000 0.015 0.000 1.046 1242 I HN -0.009 nan 8.210 nan 0.000 0.405 1243 L N -0.011 121.189 121.223 -0.037 0.000 2.083 1243 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 1243 L C 2.696 179.531 176.870 -0.058 0.000 1.083 1243 L CA 1.153 55.951 54.840 -0.072 0.000 0.752 1243 L CB -0.619 41.376 42.059 -0.105 0.000 0.899 1243 L HN 0.212 nan 8.230 nan 0.000 0.433 1244 S N -0.269 115.408 115.700 -0.039 0.000 2.355 1244 S HA -0.184 4.285 4.470 -0.001 0.000 0.222 1244 S C 1.524 176.111 174.600 -0.023 0.000 1.031 1244 S CA 1.452 59.632 58.200 -0.033 0.000 0.993 1244 S CB -0.264 62.922 63.200 -0.023 0.000 0.859 1244 S HN 0.416 nan 8.310 nan 0.000 0.453 1245 D N 1.097 121.490 120.400 -0.012 0.000 2.123 1245 D HA -0.078 4.561 4.640 -0.001 0.000 0.196 1245 D C 1.844 178.136 176.300 -0.013 0.000 0.992 1245 D CA 0.556 54.552 54.000 -0.007 0.000 0.833 1245 D CB -0.339 40.462 40.800 0.000 0.000 0.954 1245 D HN 0.150 nan 8.370 nan 0.000 0.455 1246 L N 0.685 121.894 121.223 -0.022 0.000 2.017 1246 L HA -0.034 4.305 4.340 -0.001 0.000 0.208 1246 L C 2.017 178.873 176.870 -0.025 0.000 1.073 1246 L CA 1.841 56.665 54.840 -0.026 0.000 0.745 1246 L CB -0.950 41.085 42.059 -0.041 0.000 0.894 1246 L HN 0.014 nan 8.230 nan 0.000 0.432 1247 A N -1.523 121.278 122.820 -0.033 0.000 2.076 1247 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 1247 A C 2.315 179.885 177.584 -0.023 0.000 1.160 1247 A CA 1.764 53.782 52.037 -0.030 0.000 0.653 1247 A CB -0.828 18.147 19.000 -0.041 0.000 0.801 1247 A HN 0.569 nan 8.150 nan 0.000 0.455 1248 S N -0.353 115.336 115.700 -0.017 0.000 2.423 1248 S HA -0.133 4.337 4.470 -0.001 0.000 0.231 1248 S C 1.968 176.564 174.600 -0.007 0.000 1.014 1248 S CA 1.381 59.575 58.200 -0.009 0.000 0.965 1248 S CB -0.647 62.552 63.200 -0.000 0.000 0.785 1248 S HN 0.899 nan 8.310 nan 0.000 0.495 1249 V N 0.102 120.012 119.914 -0.007 0.000 2.427 1249 V HA -0.098 4.021 4.120 -0.001 0.000 0.248 1249 V C 1.940 178.032 176.094 -0.004 0.000 1.051 1249 V CA 1.102 63.400 62.300 -0.003 0.000 1.048 1249 V CB -1.051 30.770 31.823 -0.002 0.000 0.666 1249 V HN 0.241 nan 8.190 nan 0.000 0.456 1250 L N 0.644 121.862 121.223 -0.008 0.000 1.997 1250 L HA -0.089 4.251 4.340 -0.001 0.000 0.216 1250 L C 0.373 177.232 176.870 -0.018 0.000 1.074 1250 L CA 2.857 57.691 54.840 -0.009 0.000 0.763 1250 L CB -2.453 39.599 42.059 -0.010 0.000 0.890 1250 L HN 0.345 nan 8.230 nan 0.000 0.434 1251 P HA 0.013 nan 4.420 nan 0.000 0.221 1251 P C 0.951 178.251 177.300 -0.001 0.000 1.150 1251 P CA 1.741 64.819 63.100 -0.038 0.000 0.800 1251 P CB 0.200 31.863 31.700 -0.061 0.000 0.787 1252 G N -2.363 106.439 108.800 0.004 0.000 3.532 1252 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.196 1252 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.196 1252 G C 0.060 174.968 174.900 0.013 0.000 2.074 1252 G CA 0.176 45.284 45.100 0.013 0.000 1.323 1252 G HN 0.429 nan 8.290 nan 0.000 0.439 1253 S N -0.002 115.709 115.700 0.018 0.000 2.600 1253 S HA 0.678 5.147 4.470 -0.001 0.000 0.300 1253 S C 0.898 175.512 174.600 0.024 0.000 1.087 1253 S CA -0.102 58.108 58.200 0.017 0.000 0.965 1253 S CB 1.550 64.758 63.200 0.014 0.000 1.089 1253 S HN 0.792 nan 8.310 nan 0.000 0.496 1254 L N 3.431 124.669 121.223 0.025 0.000 2.313 1254 L HA 0.264 4.604 4.340 -0.001 0.000 0.214 1254 L C 1.703 178.611 176.870 0.063 0.000 1.119 1254 L CA 1.990 56.851 54.840 0.035 0.000 0.809 1254 L CB -1.291 40.786 42.059 0.031 0.000 0.933 1254 L HN 0.929 nan 8.230 nan 0.000 0.449 1255 G N -0.617 108.220 108.800 0.061 0.000 2.920 1255 G HA2 0.021 3.981 3.960 -0.001 0.000 0.208 1255 G HA3 0.021 3.981 3.960 -0.001 0.000 0.208 1255 G C 1.300 176.263 174.900 0.105 0.000 1.159 1255 G CA -0.093 45.063 45.100 0.092 0.000 0.784 1255 G HN 0.405 nan 8.290 nan 0.000 0.535 1256 L N -0.052 121.223 121.223 0.087 0.000 2.693 1256 L HA 0.403 4.743 4.340 -0.001 0.000 0.235 1256 L C 0.293 177.237 176.870 0.122 0.000 1.127 1256 L CA -0.048 54.854 54.840 0.104 0.000 0.914 1256 L CB 0.191 42.312 42.059 0.102 0.000 1.193 1256 L HN 0.055 nan 8.230 nan 0.000 0.502 1257 L N 2.293 123.576 121.223 0.099 0.000 2.309 1257 L HA 0.480 4.820 4.340 -0.001 0.000 0.282 1257 L C -2.302 174.606 176.870 0.063 0.000 1.036 1257 L CA -1.635 53.250 54.840 0.076 0.000 0.806 1257 L CB 1.625 43.708 42.059 0.041 0.000 1.220 1257 L HN -0.206 nan 8.230 nan 0.000 0.429 1258 P HA 0.414 nan 4.420 nan 0.000 0.285 1258 P C -1.287 176.041 177.300 0.046 0.000 1.285 1258 P CA -0.496 62.645 63.100 0.067 0.000 0.854 1258 P CB 2.254 34.024 31.700 0.117 0.000 1.180 1259 S N -1.088 114.638 115.700 0.043 0.000 2.625 1259 S HA 0.867 5.336 4.470 -0.001 0.000 0.271 1259 S C -1.550 173.041 174.600 -0.016 0.000 1.161 1259 S CA -0.789 57.409 58.200 -0.004 0.000 0.820 1259 S CB 1.285 64.456 63.200 -0.048 0.000 1.137 1259 S HN 0.708 nan 8.310 nan 0.000 0.470 1260 A N 0.643 123.381 122.820 -0.136 0.000 2.515 1260 A HA 0.842 5.161 4.320 -0.001 0.000 0.298 1260 A C -0.790 176.569 177.584 -0.374 0.000 1.059 1260 A CA -0.716 51.105 52.037 -0.360 0.000 0.698 1260 A CB 1.818 20.613 19.000 -0.341 0.000 1.289 1260 A HN 0.922 nan 8.150 nan 0.000 0.404 1261 S N 1.122 116.542 115.700 -0.466 0.000 2.640 1261 S HA 0.616 5.085 4.470 -0.001 0.000 0.320 1261 S C -0.881 173.466 174.600 -0.421 0.000 1.097 1261 S CA -0.329 57.653 58.200 -0.363 0.000 1.092 1261 S CB 0.457 63.488 63.200 -0.282 0.000 0.988 1261 S HN 0.503 nan 8.310 nan 0.000 0.470 1262 L N 2.380 123.354 121.223 -0.415 0.000 2.313 1262 L HA 0.991 5.330 4.340 -0.001 0.000 0.268 1262 L C 0.953 177.429 176.870 -0.657 0.000 1.010 1262 L CA 0.152 54.737 54.840 -0.426 0.000 0.814 1262 L CB 1.389 43.258 42.059 -0.315 0.000 1.304 1262 L HN 0.818 nan 8.230 nan 0.000 0.441 1263 G N 0.458 108.897 108.800 -0.601 0.000 2.586 1263 G HA2 0.187 4.146 3.960 -0.001 0.000 0.105 1263 G HA3 0.187 4.146 3.960 -0.001 0.000 0.105 1263 G C 0.031 174.795 174.900 -0.227 0.000 1.129 1263 G CA -0.392 44.210 45.100 -0.829 0.000 1.127 1263 G HN 0.299 nan 8.290 nan 0.000 0.532 1264 R N 0.126 120.602 120.500 -0.040 0.000 2.175 1264 R HA 0.361 4.700 4.340 -0.001 0.000 0.202 1264 R C 1.653 177.950 176.300 -0.005 0.000 1.018 1264 R CA 1.156 57.280 56.100 0.041 0.000 1.029 1264 R CB -0.363 30.000 30.300 0.105 0.000 0.959 1264 R HN 0.611 nan 8.270 nan 0.000 0.480 1265 G N -0.888 107.890 108.800 -0.037 0.000 2.630 1265 G HA2 0.133 4.093 3.960 -0.001 0.000 0.223 1265 G HA3 0.133 4.093 3.960 -0.001 0.000 0.223 1265 G C -0.667 174.198 174.900 -0.058 0.000 1.434 1265 G CA -0.425 44.653 45.100 -0.036 0.000 1.057 1265 G HN 0.094 nan 8.290 nan 0.000 0.570 1266 T N 3.114 117.637 114.554 -0.052 0.000 2.799 1266 T HA 0.347 4.696 4.350 -0.001 0.000 0.296 1266 T C -2.155 172.480 174.700 -0.109 0.000 0.947 1266 T CA -0.484 61.586 62.100 -0.051 0.000 1.141 1266 T CB 1.255 70.110 68.868 -0.022 0.000 0.891 1266 T HN 0.290 nan 8.240 nan 0.000 0.533 1267 P HA 0.227 nan 4.420 nan 0.000 0.271 1267 P C -0.805 176.290 177.300 -0.343 0.000 1.216 1267 P CA -0.345 62.585 63.100 -0.283 0.000 0.771 1267 P CB 0.709 32.253 31.700 -0.260 0.000 0.864 1268 V N 4.414 124.031 119.914 -0.494 0.000 2.435 1268 V HA 0.384 4.503 4.120 -0.001 0.000 0.290 1268 V C -0.070 175.660 176.094 -0.607 0.000 1.030 1268 V CA -0.326 61.743 62.300 -0.385 0.000 0.881 1268 V CB 0.654 32.305 31.823 -0.286 0.000 0.983 1268 V HN 0.353 nan 8.190 nan 0.000 0.445 1269 F N 3.406 123.320 119.950 -0.061 0.000 2.449 1269 F HA 0.666 5.192 4.527 -0.001 0.000 0.342 1269 F C 0.280 176.050 175.800 -0.050 0.000 1.127 1269 F CA -0.448 57.530 58.000 -0.037 0.000 0.975 1269 F CB 1.725 40.726 39.000 0.002 0.000 1.146 1269 F HN 0.654 nan 8.300 nan 0.000 0.444 1270 E N 3.565 123.803 120.200 0.063 0.000 2.372 1270 E HA 0.465 4.814 4.350 -0.001 0.000 0.279 1270 E C -3.329 173.240 176.600 -0.052 0.000 0.946 1270 E CA -2.594 53.801 56.400 -0.008 0.000 0.769 1270 E CB 2.761 32.425 29.700 -0.061 0.000 1.230 1270 E HN 0.122 nan 8.360 nan 0.000 0.442 1271 P HA -0.011 nan 4.420 nan 0.000 0.275 1271 P C 0.850 177.962 177.300 -0.314 0.000 1.227 1271 P CA -0.395 62.548 63.100 -0.260 0.000 0.781 1271 P CB 1.500 32.875 31.700 -0.541 0.000 0.906 1272 V N 1.866 121.675 119.914 -0.174 0.000 2.759 1272 V HA -0.161 3.959 4.120 -0.001 0.000 0.256 1272 V C 1.390 177.441 176.094 -0.072 0.000 1.080 1272 V CA 1.443 63.687 62.300 -0.094 0.000 1.101 1272 V CB -2.109 29.701 31.823 -0.021 0.000 0.698 1272 V HN 0.736 nan 8.190 nan 0.000 0.477 1273 H N -0.021 119.061 119.070 0.020 0.000 2.757 1273 H HA 0.508 5.063 4.556 -0.001 0.000 0.370 1273 H C 0.671 176.012 175.328 0.022 0.000 1.172 1273 H CA -0.088 55.970 56.048 0.017 0.000 1.426 1273 H CB 0.058 29.828 29.762 0.013 0.000 1.438 1273 H HN 0.115 nan 8.280 nan 0.000 0.612 1274 G N -0.456 108.492 108.800 0.247 0.000 2.588 1274 G HA2 0.237 4.197 3.960 -0.001 0.000 0.278 1274 G HA3 0.237 4.197 3.960 -0.001 0.000 0.278 1274 G C 0.741 175.786 174.900 0.242 0.000 1.307 1274 G CA -0.327 44.878 45.100 0.176 0.000 1.016 1274 G HN 0.856 nan 8.290 nan 0.000 0.503 1275 S N -1.227 114.567 115.700 0.157 0.000 2.527 1275 S HA 0.293 4.762 4.470 -0.001 0.000 0.222 1275 S C 1.584 176.246 174.600 0.103 0.000 0.985 1275 S CA 0.961 59.250 58.200 0.148 0.000 0.921 1275 S CB -0.247 63.037 63.200 0.140 0.000 0.772 1275 S HN 2.081 nan 8.310 nan 0.000 0.529 1276 A N 2.986 125.851 122.820 0.075 0.000 2.103 1276 A HA -0.117 4.202 4.320 -0.001 0.000 0.269 1276 A C -0.281 177.329 177.584 0.043 0.000 1.346 1276 A CA 0.674 52.734 52.037 0.038 0.000 0.755 1276 A CB -1.497 17.499 19.000 -0.006 0.000 1.146 1276 A HN 0.582 nan 8.150 nan 0.000 0.330 1277 P HA -0.174 nan 4.420 nan 0.000 0.219 1277 P C 0.745 178.067 177.300 0.037 0.000 1.146 1277 P CA 1.565 64.704 63.100 0.066 0.000 0.808 1277 P CB 0.058 31.807 31.700 0.082 0.000 0.779 1278 D N 0.344 120.757 120.400 0.021 0.000 2.269 1278 D HA -0.045 4.595 4.640 -0.001 0.000 0.208 1278 D C 1.826 178.130 176.300 0.007 0.000 0.963 1278 D CA 0.855 54.861 54.000 0.009 0.000 0.864 1278 D CB -0.115 40.687 40.800 0.003 0.000 0.936 1278 D HN 0.430 nan 8.370 nan 0.000 0.505 1279 I N -2.552 118.021 120.570 0.006 0.000 3.941 1279 I HA 0.379 4.548 4.170 -0.001 0.000 0.335 1279 I C 0.453 176.575 176.117 0.007 0.000 1.402 1279 I CA -0.552 60.748 61.300 -0.000 0.000 1.112 1279 I CB 0.326 38.318 38.000 -0.014 0.000 1.043 1279 I HN -0.306 nan 8.210 nan 0.000 0.395 1280 A N 1.577 124.410 122.820 0.021 0.000 2.454 1280 A HA 0.519 4.838 4.320 -0.001 0.000 0.260 1280 A C 1.461 179.064 177.584 0.031 0.000 1.106 1280 A CA 0.638 52.695 52.037 0.034 0.000 0.780 1280 A CB -0.373 18.660 19.000 0.056 0.000 1.044 1280 A HN 1.060 nan 8.150 nan 0.000 0.498 1281 G N 2.198 111.017 108.800 0.031 0.000 2.217 1281 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.246 1281 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.246 1281 G C 0.856 175.768 174.900 0.020 0.000 0.990 1281 G CA 0.502 45.619 45.100 0.028 0.000 0.627 1281 G HN 0.662 nan 8.290 nan 0.000 0.522 1282 K N 1.273 121.681 120.400 0.014 0.000 2.444 1282 K HA 0.382 4.702 4.320 -0.001 0.000 0.193 1282 K C 1.813 178.419 176.600 0.009 0.000 1.024 1282 K CA 1.169 57.462 56.287 0.010 0.000 1.077 1282 K CB 0.100 32.603 32.500 0.004 0.000 0.833 1282 K HN 1.547 nan 8.250 nan 0.000 0.517 1283 G N 2.152 110.959 108.800 0.012 0.000 2.509 1283 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.256 1283 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.256 1283 G C 0.837 175.736 174.900 -0.002 0.000 1.152 1283 G CA 0.604 45.711 45.100 0.012 0.000 0.951 1283 G HN 0.446 nan 8.290 nan 0.000 0.559 1284 I N -3.076 117.491 120.570 -0.005 0.000 3.708 1284 I HA -0.281 3.888 4.170 -0.001 0.000 0.169 1284 I C 1.250 177.332 176.117 -0.057 0.000 0.428 1284 I CA 2.274 63.559 61.300 -0.025 0.000 1.234 1284 I CB -1.759 36.228 38.000 -0.022 0.000 1.065 1284 I HN 2.470 nan 8.210 nan 0.000 0.251 1285 A N 2.362 125.146 122.820 -0.060 0.000 2.511 1285 A HA 0.209 4.528 4.320 -0.001 0.000 0.242 1285 A C 0.562 178.062 177.584 -0.140 0.000 1.069 1285 A CA 0.706 52.681 52.037 -0.104 0.000 0.763 1285 A CB -0.178 18.769 19.000 -0.089 0.000 1.001 1285 A HN 0.642 nan 8.150 nan 0.000 0.498 1286 N N 3.636 122.212 118.700 -0.208 0.000 2.401 1286 N HA 0.207 4.946 4.740 -0.001 0.000 0.255 1286 N C -1.685 173.702 175.510 -0.206 0.000 1.110 1286 N CA -1.626 51.250 53.050 -0.291 0.000 0.949 1286 N CB 0.947 39.241 38.487 -0.322 0.000 1.110 1286 N HN 0.414 nan 8.380 nan 0.000 0.490 1287 P HA 0.031 nan 4.420 nan 0.000 0.249 1287 P C 0.837 178.190 177.300 0.089 0.000 1.229 1287 P CA 0.288 63.405 63.100 0.028 0.000 0.788 1287 P CB 0.336 32.093 31.700 0.095 0.000 1.072 1288 T N 0.961 115.525 114.554 0.018 0.000 2.653 1288 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 1288 T C 2.012 176.801 174.700 0.148 0.000 1.035 1288 T CA 2.213 64.389 62.100 0.126 0.000 1.154 1288 T CB -0.721 68.181 68.868 0.057 0.000 0.862 1288 T HN 0.156 nan 8.240 nan 0.000 0.441 1289 A N 1.174 124.090 122.820 0.159 0.000 1.933 1289 A HA 0.163 4.482 4.320 -0.001 0.000 0.218 1289 A C 2.620 180.288 177.584 0.139 0.000 1.175 1289 A CA 1.868 54.009 52.037 0.174 0.000 0.628 1289 A CB -1.001 18.160 19.000 0.268 0.000 0.814 1289 A HN 0.536 nan 8.150 nan 0.000 0.444 1290 A N -0.173 122.746 122.820 0.166 0.000 1.929 1290 A HA 0.009 4.329 4.320 -0.001 0.000 0.216 1290 A C 2.078 179.718 177.584 0.092 0.000 1.176 1290 A CA 1.364 53.473 52.037 0.120 0.000 0.628 1290 A CB -0.515 18.569 19.000 0.139 0.000 0.816 1290 A HN 0.494 nan 8.150 nan 0.000 0.444 1291 I N -0.357 120.276 120.570 0.105 0.000 2.353 1291 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 1291 I C 2.118 178.277 176.117 0.071 0.000 1.119 1291 I CA 0.900 62.248 61.300 0.081 0.000 1.417 1291 I CB -0.281 37.782 38.000 0.106 0.000 1.078 1291 I HN 0.256 nan 8.210 nan 0.000 0.421 1292 L N -0.175 121.108 121.223 0.100 0.000 2.217 1292 L HA -0.107 4.232 4.340 -0.001 0.000 0.211 1292 L C 2.558 179.488 176.870 0.101 0.000 1.107 1292 L CA 0.762 55.668 54.840 0.110 0.000 0.783 1292 L CB -0.461 41.694 42.059 0.161 0.000 0.919 1292 L HN 0.159 nan 8.230 nan 0.000 0.442 1293 S N 0.228 115.988 115.700 0.100 0.000 2.387 1293 S HA -0.088 4.381 4.470 -0.001 0.000 0.226 1293 S C 2.216 176.838 174.600 0.037 0.000 1.026 1293 S CA 1.092 59.369 58.200 0.128 0.000 0.972 1293 S CB -0.140 63.138 63.200 0.130 0.000 0.814 1293 S HN 0.488 nan 8.310 nan 0.000 0.477 1294 A N 1.363 124.185 122.820 0.003 0.000 2.015 1294 A HA 0.237 4.557 4.320 -0.001 0.000 0.219 1294 A C 2.265 179.791 177.584 -0.095 0.000 1.163 1294 A CA 1.433 53.432 52.037 -0.063 0.000 0.646 1294 A CB -0.780 18.200 19.000 -0.033 0.000 0.806 1294 A HN 0.490 nan 8.150 nan 0.000 0.448 1295 A N -0.587 122.208 122.820 -0.041 0.000 1.929 1295 A HA -0.024 4.296 4.320 -0.001 0.000 0.216 1295 A C 2.208 179.748 177.584 -0.074 0.000 1.176 1295 A CA 1.532 53.546 52.037 -0.037 0.000 0.628 1295 A CB -0.473 18.534 19.000 0.012 0.000 0.816 1295 A HN 0.491 nan 8.150 nan 0.000 0.444 1296 M N -1.243 118.332 119.600 -0.043 0.000 2.159 1296 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 1296 M C 2.428 178.526 176.300 -0.336 0.000 1.063 1296 M CA 1.872 57.184 55.300 0.020 0.000 1.110 1296 M CB -0.336 32.459 32.600 0.325 0.000 1.374 1296 M HN 0.660 nan 8.290 nan 0.000 0.411 1297 M N 0.569 119.631 119.600 -0.897 0.000 2.086 1297 M HA -0.219 4.261 4.480 -0.001 0.000 0.261 1297 M C 1.908 177.958 176.300 -0.417 0.000 1.067 1297 M CA 1.760 56.225 55.300 -1.391 0.000 1.116 1297 M CB -0.104 31.901 32.600 -0.992 0.000 1.348 1297 M HN 0.229 nan 8.290 nan 0.000 0.407 1298 L N -0.031 121.107 121.223 -0.142 0.000 2.046 1298 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 1298 L C 2.553 179.424 176.870 0.001 0.000 1.077 1298 L CA 1.791 56.674 54.840 0.072 0.000 0.747 1298 L CB -0.755 41.307 42.059 0.005 0.000 0.896 1298 L HN 0.472 nan 8.230 nan 0.000 0.432 1299 E N -0.414 119.706 120.200 -0.133 0.000 2.028 1299 E HA -0.203 4.146 4.350 -0.001 0.000 0.190 1299 E C 1.994 178.454 176.600 -0.234 0.000 0.984 1299 E CA 1.322 57.589 56.400 -0.221 0.000 0.800 1299 E CB 0.039 29.512 29.700 -0.379 0.000 0.758 1299 E HN 0.605 nan 8.360 nan 0.000 0.448 1300 H N -1.288 117.810 119.070 0.046 0.000 2.525 1300 H HA 0.227 4.783 4.556 -0.001 0.000 0.275 1300 H C 1.507 176.856 175.328 0.035 0.000 0.984 1300 H CA 0.728 56.847 56.048 0.119 0.000 1.264 1300 H CB 0.531 30.493 29.762 0.334 0.000 1.432 1300 H HN 0.220 nan 8.280 nan 0.000 0.549 1301 A N -0.197 122.588 122.820 -0.057 0.000 2.014 1301 A HA 0.125 4.445 4.320 -0.001 0.000 0.210 1301 A C 1.016 178.173 177.584 -0.711 0.000 1.188 1301 A CA 0.364 52.158 52.037 -0.404 0.000 0.731 1301 A CB -0.001 18.604 19.000 -0.657 0.000 0.858 1301 A HN 0.303 nan 8.150 nan 0.000 0.464 1302 F N -1.167 118.790 119.950 0.011 0.000 2.706 1302 F HA 0.380 4.907 4.527 -0.001 0.000 0.313 1302 F C 1.761 177.554 175.800 -0.012 0.000 1.096 1302 F CA 0.394 58.392 58.000 -0.003 0.000 1.219 1302 F CB 0.689 39.673 39.000 -0.026 0.000 1.051 1302 F HN 0.312 nan 8.300 nan 0.000 0.568 1303 G N 0.816 109.659 108.800 0.072 0.000 2.196 1303 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.268 1303 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.268 1303 G C 0.336 175.255 174.900 0.031 0.000 0.975 1303 G CA 0.050 45.172 45.100 0.037 0.000 0.648 1303 G HN 0.152 nan 8.290 nan 0.000 0.538 1304 L N 2.092 123.347 121.223 0.054 0.000 2.416 1304 L HA 0.234 4.574 4.340 -0.001 0.000 0.243 1304 L C 2.203 179.067 176.870 -0.010 0.000 1.373 1304 L CA -0.160 54.695 54.840 0.024 0.000 1.227 1304 L CB -0.668 41.408 42.059 0.028 0.000 1.428 1304 L HN 0.092 nan 8.230 nan 0.000 0.425 1305 V N 1.242 121.143 119.914 -0.022 0.000 2.252 1305 V HA -0.293 3.827 4.120 -0.001 0.000 0.249 1305 V C 2.518 178.599 176.094 -0.022 0.000 1.056 1305 V CA 2.059 64.336 62.300 -0.038 0.000 1.022 1305 V CB -0.406 31.400 31.823 -0.028 0.000 0.641 1305 V HN 0.742 nan 8.190 nan 0.000 0.445 1306 E N 0.551 120.744 120.200 -0.011 0.000 2.130 1306 E HA -0.265 4.085 4.350 -0.001 0.000 0.196 1306 E C 2.053 178.646 176.600 -0.012 0.000 0.998 1306 E CA 1.654 58.049 56.400 -0.008 0.000 0.806 1306 E CB -0.706 28.992 29.700 -0.005 0.000 0.738 1306 E HN 0.478 nan 8.360 nan 0.000 0.459 1307 L N 1.147 122.361 121.223 -0.015 0.000 2.109 1307 L HA 0.025 4.364 4.340 -0.001 0.000 0.207 1307 L C 2.701 179.557 176.870 -0.024 0.000 1.086 1307 L CA 1.664 56.492 54.840 -0.020 0.000 0.760 1307 L CB -0.827 41.220 42.059 -0.021 0.000 0.910 1307 L HN 0.223 nan 8.230 nan 0.000 0.437 1308 A N -0.540 122.263 122.820 -0.028 0.000 1.858 1308 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 1308 A C 2.377 179.953 177.584 -0.014 0.000 1.190 1308 A CA 1.321 53.341 52.037 -0.029 0.000 0.617 1308 A CB -0.387 18.584 19.000 -0.049 0.000 0.827 1308 A HN 0.247 nan 8.150 nan 0.000 0.443 1309 R N -0.024 120.472 120.500 -0.007 0.000 2.091 1309 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 1309 R C 2.138 178.424 176.300 -0.022 0.000 1.136 1309 R CA 1.768 57.870 56.100 0.003 0.000 0.959 1309 R CB -0.829 29.478 30.300 0.012 0.000 0.856 1309 R HN 0.720 nan 8.270 nan 0.000 0.437 1310 K N 1.034 121.419 120.400 -0.025 0.000 2.103 1310 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 1310 K C 1.980 178.550 176.600 -0.050 0.000 1.048 1310 K CA 1.530 57.797 56.287 -0.033 0.000 0.930 1310 K CB -0.015 32.470 32.500 -0.024 0.000 0.716 1310 K HN 0.155 nan 8.250 nan 0.000 0.444 1311 V N -0.891 118.994 119.914 -0.048 0.000 2.951 1311 V HA -0.048 4.071 4.120 -0.001 0.000 0.255 1311 V C 1.433 177.468 176.094 -0.099 0.000 1.088 1311 V CA 1.233 63.498 62.300 -0.058 0.000 1.109 1311 V CB -0.120 31.681 31.823 -0.036 0.000 0.724 1311 V HN 0.282 nan 8.190 nan 0.000 0.471 1312 E N 0.528 120.663 120.200 -0.109 0.000 2.072 1312 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 1312 E C 1.877 178.228 176.600 -0.415 0.000 0.985 1312 E CA 1.674 57.941 56.400 -0.222 0.000 0.801 1312 E CB -0.116 29.531 29.700 -0.088 0.000 0.750 1312 E HN 0.690 nan 8.360 nan 0.000 0.452 1313 D N 0.590 120.834 120.400 -0.261 0.000 2.144 1313 D HA -0.110 4.530 4.640 -0.001 0.000 0.200 1313 D C 1.887 178.025 176.300 -0.270 0.000 0.978 1313 D CA 1.098 54.943 54.000 -0.259 0.000 0.833 1313 D CB -0.262 40.458 40.800 -0.134 0.000 0.961 1313 D HN 0.141 nan 8.370 nan 0.000 0.470 1314 A N 1.203 123.903 122.820 -0.199 0.000 1.902 1314 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 1314 A C 2.498 179.921 177.584 -0.267 0.000 1.181 1314 A CA 2.067 53.993 52.037 -0.185 0.000 0.623 1314 A CB -0.828 18.131 19.000 -0.067 0.000 0.818 1314 A HN 0.248 nan 8.150 nan 0.000 0.443 1315 V N -2.665 117.110 119.914 -0.232 0.000 2.548 1315 V HA 0.052 4.172 4.120 -0.001 0.000 0.249 1315 V C 2.466 178.440 176.094 -0.200 0.000 1.055 1315 V CA 1.618 63.815 62.300 -0.171 0.000 1.065 1315 V CB -1.329 30.475 31.823 -0.032 0.000 0.681 1315 V HN 0.499 nan 8.190 nan 0.000 0.462 1316 A N 0.998 123.601 122.820 -0.362 0.000 1.877 1316 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 1316 A C 2.282 179.735 177.584 -0.218 0.000 1.186 1316 A CA 2.058 53.906 52.037 -0.315 0.000 0.620 1316 A CB -0.601 18.134 19.000 -0.440 0.000 0.822 1316 A HN 0.511 nan 8.150 nan 0.000 0.443 1317 K N 0.014 120.207 120.400 -0.345 0.000 2.009 1317 K HA -0.123 4.197 4.320 -0.001 0.000 0.210 1317 K C 2.284 178.668 176.600 -0.360 0.000 1.049 1317 K CA 1.503 57.518 56.287 -0.453 0.000 0.929 1317 K CB -1.058 30.834 32.500 -1.015 0.000 0.714 1317 K HN 0.456 nan 8.250 nan 0.000 0.440 1318 A N 1.569 124.153 122.820 -0.394 0.000 1.940 1318 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 1318 A C 2.370 179.927 177.584 -0.045 0.000 1.176 1318 A CA 1.265 53.113 52.037 -0.315 0.000 0.631 1318 A CB -0.664 17.928 19.000 -0.679 0.000 0.814 1318 A HN 0.200 nan 8.150 nan 0.000 0.446 1319 L N -1.368 119.916 121.223 0.103 0.000 2.141 1319 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 1319 L C 2.468 179.419 176.870 0.136 0.000 1.094 1319 L CA 0.696 55.692 54.840 0.259 0.000 0.763 1319 L CB -0.270 41.911 42.059 0.203 0.000 0.908 1319 L HN 0.390 nan 8.230 nan 0.000 0.437 1320 L N -0.478 120.775 121.223 0.050 0.000 2.095 1320 L HA -0.100 4.240 4.340 -0.001 0.000 0.204 1320 L C 2.308 179.198 176.870 0.034 0.000 1.080 1320 L CA 1.676 56.535 54.840 0.033 0.000 0.759 1320 L CB -0.336 41.721 42.059 -0.003 0.000 0.914 1320 L HN 0.192 nan 8.230 nan 0.000 0.439 1321 E N -1.160 119.051 120.200 0.019 0.000 2.042 1321 E HA -0.010 4.339 4.350 -0.001 0.000 0.189 1321 E C 0.266 176.902 176.600 0.059 0.000 0.974 1321 E CA 1.210 57.631 56.400 0.036 0.000 0.806 1321 E CB -0.031 29.695 29.700 0.045 0.000 0.769 1321 E HN 0.455 nan 8.360 nan 0.000 0.451 1322 T N 0.659 115.261 114.554 0.080 0.000 3.331 1322 T HA 0.367 4.717 4.350 -0.001 0.000 0.381 1322 T C -2.849 172.003 174.700 0.252 0.000 1.656 1322 T CA -2.209 59.968 62.100 0.129 0.000 1.453 1322 T CB 0.994 69.925 68.868 0.104 0.000 1.066 1322 T HN -0.232 nan 8.240 nan 0.000 0.655 1323 P HA 0.213 nan 4.420 nan 0.000 0.268 1323 P C -2.263 175.100 177.300 0.106 0.000 1.204 1323 P CA -1.065 62.134 63.100 0.165 0.000 0.768 1323 P CB 0.105 31.859 31.700 0.090 0.000 0.842 1324 P HA 0.121 nan 4.420 nan 0.000 0.274 1324 P C -2.104 175.163 177.300 -0.055 0.000 1.246 1324 P CA -1.722 61.319 63.100 -0.098 0.000 0.795 1324 P CB -0.008 31.485 31.700 -0.346 0.000 1.006 1325 P HA -0.220 nan 4.420 nan 0.000 0.217 1325 P C 1.154 178.433 177.300 -0.035 0.000 1.151 1325 P CA 1.851 64.933 63.100 -0.030 0.000 0.849 1325 P CB -0.297 31.385 31.700 -0.030 0.000 0.787 1326 D N -1.133 119.232 120.400 -0.058 0.000 2.348 1326 D HA -0.101 4.538 4.640 -0.001 0.000 0.216 1326 D C 1.274 177.553 176.300 -0.035 0.000 0.970 1326 D CA 0.656 54.627 54.000 -0.050 0.000 0.889 1326 D CB -0.557 40.202 40.800 -0.069 0.000 0.912 1326 D HN 0.175 nan 8.370 nan 0.000 0.524 1327 L N -0.311 120.891 121.223 -0.034 0.000 2.818 1327 L HA 0.394 4.733 4.340 -0.001 0.000 0.243 1327 L C 1.499 178.371 176.870 0.004 0.000 1.185 1327 L CA 0.661 55.494 54.840 -0.011 0.000 0.988 1327 L CB 0.284 42.339 42.059 -0.007 0.000 1.292 1327 L HN 0.272 nan 8.230 nan 0.000 0.519 1328 G N -1.673 107.126 108.800 -0.001 0.000 2.199 1328 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.254 1328 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.254 1328 G C 0.753 175.660 174.900 0.012 0.000 0.982 1328 G CA 0.171 45.275 45.100 0.006 0.000 0.632 1328 G HN 0.717 nan 8.290 nan 0.000 0.529 1329 G N -0.560 108.249 108.800 0.015 0.000 2.630 1329 G HA2 0.636 4.595 3.960 -0.001 0.000 0.223 1329 G HA3 0.636 4.595 3.960 -0.001 0.000 0.223 1329 G C 0.828 175.741 174.900 0.021 0.000 1.434 1329 G CA 1.000 46.116 45.100 0.027 0.000 1.057 1329 G HN 1.497 nan 8.290 nan 0.000 0.570 1330 S N -1.982 113.738 115.700 0.033 0.000 3.088 1330 S HA 0.515 4.985 4.470 -0.001 0.000 0.249 1330 S C 0.171 174.797 174.600 0.044 0.000 0.877 1330 S CA 0.328 58.545 58.200 0.028 0.000 1.184 1330 S CB 0.291 63.506 63.200 0.025 0.000 1.170 1330 S HN 1.114 nan 8.310 nan 0.000 0.603 1331 A N 1.567 124.429 122.820 0.069 0.000 2.316 1331 A HA 0.763 5.082 4.320 -0.001 0.000 0.311 1331 A C 0.876 178.514 177.584 0.089 0.000 1.339 1331 A CA -0.067 52.036 52.037 0.110 0.000 0.960 1331 A CB -0.251 18.874 19.000 0.208 0.000 1.152 1331 A HN 0.640 nan 8.150 nan 0.000 0.547 1332 G N 1.532 110.374 108.800 0.069 0.000 2.684 1332 G HA2 0.341 4.300 3.960 -0.001 0.000 0.255 1332 G HA3 0.341 4.300 3.960 -0.001 0.000 0.255 1332 G C 0.994 175.942 174.900 0.080 0.000 1.219 1332 G CA 0.421 45.548 45.100 0.045 0.000 0.901 1332 G HN 0.645 nan 8.290 nan 0.000 0.548 1333 T N 0.447 115.031 114.554 0.050 0.000 2.597 1333 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 1333 T C 2.108 176.883 174.700 0.124 0.000 1.053 1333 T CA 1.766 63.913 62.100 0.077 0.000 1.165 1333 T CB -0.218 68.677 68.868 0.044 0.000 0.863 1333 T HN 0.535 nan 8.240 nan 0.000 0.427 1334 E N 1.354 121.605 120.200 0.086 0.000 2.038 1334 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 1334 E C 2.695 179.345 176.600 0.084 0.000 1.000 1334 E CA 1.419 57.864 56.400 0.074 0.000 0.803 1334 E CB -0.734 28.996 29.700 0.050 0.000 0.750 1334 E HN 0.551 nan 8.360 nan 0.000 0.448 1335 A N 0.756 123.630 122.820 0.090 0.000 1.940 1335 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 1335 A C 2.107 179.758 177.584 0.111 0.000 1.176 1335 A CA 1.387 53.474 52.037 0.084 0.000 0.631 1335 A CB -0.796 18.253 19.000 0.081 0.000 0.814 1335 A HN 0.269 nan 8.150 nan 0.000 0.446 1336 F N 1.250 121.210 119.950 0.016 0.000 2.084 1336 F HA -0.129 4.398 4.527 -0.001 0.000 0.296 1336 F C 2.522 178.336 175.800 0.023 0.000 1.111 1336 F CA 2.273 60.285 58.000 0.020 0.000 1.224 1336 F CB -0.615 38.394 39.000 0.016 0.000 0.991 1336 F HN 0.207 nan 8.300 nan 0.000 0.471 1337 T N 0.747 115.401 114.554 0.168 0.000 2.803 1337 T HA -0.219 4.131 4.350 -0.001 0.000 0.269 1337 T C 2.171 176.848 174.700 -0.038 0.000 1.052 1337 T CA 1.231 63.367 62.100 0.060 0.000 1.136 1337 T CB -0.850 68.077 68.868 0.098 0.000 0.864 1337 T HN 0.390 nan 8.240 nan 0.000 0.467 1338 A N 1.710 124.515 122.820 -0.025 0.000 1.865 1338 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 1338 A C 2.596 180.129 177.584 -0.085 0.000 1.191 1338 A CA 2.231 54.243 52.037 -0.042 0.000 0.623 1338 A CB -1.408 17.579 19.000 -0.022 0.000 0.826 1338 A HN 0.489 nan 8.150 nan 0.000 0.444 1339 T N -0.185 114.295 114.554 -0.123 0.000 2.684 1339 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 1339 T C 1.868 176.533 174.700 -0.057 0.000 1.036 1339 T CA 1.658 63.688 62.100 -0.116 0.000 1.148 1339 T CB -0.637 68.129 68.868 -0.170 0.000 0.863 1339 T HN 0.147 nan 8.240 nan 0.000 0.436 1340 V N 1.574 121.361 119.914 -0.211 0.000 2.287 1340 V HA -0.165 3.955 4.120 -0.001 0.000 0.248 1340 V C 2.547 178.615 176.094 -0.044 0.000 1.053 1340 V CA 1.607 63.820 62.300 -0.145 0.000 1.027 1340 V CB -0.759 30.949 31.823 -0.192 0.000 0.646 1340 V HN 0.439 nan 8.190 nan 0.000 0.447 1341 L N -0.762 120.424 121.223 -0.062 0.000 2.079 1341 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 1341 L C 2.793 179.621 176.870 -0.069 0.000 1.081 1341 L CA 1.656 56.466 54.840 -0.050 0.000 0.752 1341 L CB -0.607 41.425 42.059 -0.044 0.000 0.896 1341 L HN 0.256 nan 8.230 nan 0.000 0.433 1342 R N -0.865 119.565 120.500 -0.117 0.000 2.081 1342 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 1342 R C 1.966 178.108 176.300 -0.264 0.000 1.131 1342 R CA 1.127 57.097 56.100 -0.216 0.000 0.960 1342 R CB -0.379 29.721 30.300 -0.333 0.000 0.856 1342 R HN 0.523 nan 8.270 nan 0.000 0.436 1343 H N -0.441 118.576 119.070 -0.088 0.000 2.547 1343 H HA -0.007 4.548 4.556 -0.001 0.000 0.266 1343 H C 1.431 176.717 175.328 -0.071 0.000 0.988 1343 H CA 0.405 56.405 56.048 -0.081 0.000 1.147 1343 H CB 0.407 30.110 29.762 -0.100 0.000 1.365 1343 H HN 0.075 nan 8.280 nan 0.000 0.589 1344 L N 0.531 121.760 121.223 0.009 0.000 2.446 1344 L HA 0.225 4.565 4.340 -0.001 0.000 0.219 1344 L C 1.416 178.273 176.870 -0.021 0.000 1.116 1344 L CA 0.277 55.112 54.840 -0.008 0.000 0.844 1344 L CB -0.213 41.834 42.059 -0.020 0.000 0.970 1344 L HN 0.072 nan 8.230 nan 0.000 0.457 1345 A N 0.000 122.799 122.820 -0.035 0.000 2.254 1345 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 1345 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 1345 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 1345 A HN 0.000 nan 8.150 nan 0.000 0.486