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 2au0_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1001 G C 0.000 174.885 174.900 -0.024 0.000 0.946 1001 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 1002 I N 1.353 121.900 120.570 -0.038 0.000 2.569 1002 I HA 0.648 4.818 4.170 -0.000 0.000 0.296 1002 I C -0.472 175.667 176.117 0.037 0.000 1.028 1002 I CA -1.404 59.869 61.300 -0.045 0.000 1.082 1002 I CB 2.596 40.493 38.000 -0.172 0.000 1.264 1002 I HN 0.201 nan 8.210 nan 0.000 0.429 1003 V N 6.370 126.345 119.914 0.101 0.000 2.524 1003 V HA 0.370 4.490 4.120 -0.000 0.000 0.297 1003 V C -0.555 175.659 176.094 0.201 0.000 1.035 1003 V CA -0.490 61.900 62.300 0.150 0.000 0.867 1003 V CB 2.100 34.019 31.823 0.160 0.000 1.004 1003 V HN 0.495 nan 8.190 nan 0.000 0.426 1004 L N 5.520 126.853 121.223 0.183 0.000 2.287 1004 L HA 0.697 5.036 4.340 -0.000 0.000 0.287 1004 L C -1.086 175.906 176.870 0.203 0.000 1.022 1004 L CA -0.420 54.518 54.840 0.163 0.000 0.814 1004 L CB 1.226 43.330 42.059 0.076 0.000 1.217 1004 L HN 0.641 nan 8.230 nan 0.000 0.420 1005 F N 5.412 125.380 119.950 0.030 0.000 2.480 1005 F HA 0.652 5.179 4.527 0.000 0.000 0.329 1005 F C -1.061 174.662 175.800 -0.128 0.000 1.091 1005 F CA -0.604 57.349 58.000 -0.079 0.000 0.972 1005 F CB 1.711 40.666 39.000 -0.075 0.000 1.150 1005 F HN 0.093 nan 8.300 nan 0.000 0.467 1006 V N 4.854 124.138 119.914 -1.050 0.000 2.378 1006 V HA 0.245 4.365 4.120 -0.000 0.000 0.288 1006 V C -1.188 174.152 176.094 -1.258 0.000 1.016 1006 V CA -0.635 61.172 62.300 -0.822 0.000 0.840 1006 V CB 1.455 33.054 31.823 -0.374 0.000 0.994 1006 V HN 0.742 nan 8.190 nan 0.000 0.431 1007 D N 4.455 124.411 120.400 -0.741 0.000 2.256 1007 D HA 0.460 5.100 4.640 -0.000 0.000 0.240 1007 D C -0.725 175.502 176.300 -0.123 0.000 1.062 1007 D CA -0.387 53.336 54.000 -0.463 0.000 0.832 1007 D CB 0.933 41.696 40.800 -0.062 0.000 1.135 1007 D HN 0.184 nan 8.370 nan 0.000 0.484 1008 F N 2.166 121.933 119.950 -0.305 0.000 2.445 1008 F HA 0.206 4.733 4.527 0.000 0.000 0.359 1008 F C 0.788 176.498 175.800 -0.151 0.000 1.101 1008 F CA -1.022 56.817 58.000 -0.270 0.000 1.177 1008 F CB 0.211 38.926 39.000 -0.474 0.000 1.110 1008 F HN 0.271 nan 8.300 nan 0.000 0.522 1009 D N 4.987 125.418 120.400 0.051 0.000 2.349 1009 D HA -0.022 4.618 4.640 -0.000 0.000 0.266 1009 D C 0.428 176.577 176.300 -0.251 0.000 1.293 1009 D CA 0.349 54.376 54.000 0.045 0.000 0.926 1009 D CB -0.243 40.583 40.800 0.043 0.000 1.090 1009 D HN 0.645 nan 8.370 nan 0.000 0.502 1010 Y N 0.600 121.034 120.300 0.224 0.000 3.001 1010 Y HA -0.360 4.190 4.550 -0.000 0.000 0.199 1010 Y C 0.610 176.569 175.900 0.099 0.000 1.320 1010 Y CA -0.409 57.740 58.100 0.082 0.000 0.974 1010 Y CB -2.659 35.833 38.460 0.055 0.000 1.291 1010 Y HN 0.259 nan 8.280 nan 0.000 0.465 1011 F N 1.547 121.376 119.950 -0.202 0.000 2.032 1011 F HA -0.322 4.205 4.527 -0.000 0.000 0.297 1011 F C 2.124 177.839 175.800 -0.143 0.000 1.125 1011 F CA 2.297 60.178 58.000 -0.199 0.000 1.202 1011 F CB -0.834 38.048 39.000 -0.196 0.000 0.958 1011 F HN 0.409 nan 8.300 nan 0.000 0.491 1012 Y N 0.002 120.087 120.300 -0.357 0.000 2.352 1012 Y HA -0.001 4.549 4.550 -0.000 0.000 0.292 1012 Y C 2.516 178.192 175.900 -0.373 0.000 1.136 1012 Y CA 0.616 58.225 58.100 -0.817 0.000 1.227 1012 Y CB -1.682 36.312 38.460 -0.776 0.000 0.991 1012 Y HN 0.179 nan 8.280 nan 0.000 0.545 1013 A N -0.405 122.453 122.820 0.062 0.000 1.874 1013 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 1013 A C 2.236 179.938 177.584 0.195 0.000 1.189 1013 A CA 1.232 53.372 52.037 0.172 0.000 0.615 1013 A CB -0.736 18.435 19.000 0.286 0.000 0.830 1013 A HN 0.423 nan 8.150 nan 0.000 0.443 1014 Q N 0.088 119.968 119.800 0.133 0.000 2.135 1014 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 1014 Q C 1.874 177.884 176.000 0.015 0.000 0.981 1014 Q CA 2.098 57.911 55.803 0.018 0.000 0.856 1014 Q CB -0.318 28.114 28.738 -0.510 0.000 0.902 1014 Q HN 0.421 nan 8.270 nan 0.000 0.425 1015 V N 1.460 121.345 119.914 -0.048 0.000 2.220 1015 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 1015 V C 2.280 178.407 176.094 0.054 0.000 1.049 1015 V CA 2.186 64.478 62.300 -0.013 0.000 1.003 1015 V CB -0.859 30.948 31.823 -0.027 0.000 0.634 1015 V HN 0.423 nan 8.190 nan 0.000 0.444 1016 E N 0.383 120.638 120.200 0.092 0.000 2.086 1016 E HA -0.297 4.053 4.350 -0.000 0.000 0.200 1016 E C 2.123 178.769 176.600 0.076 0.000 1.012 1016 E CA 1.876 58.329 56.400 0.088 0.000 0.812 1016 E CB -0.527 29.231 29.700 0.097 0.000 0.743 1016 E HN 0.728 nan 8.360 nan 0.000 0.453 1017 E N 0.372 120.632 120.200 0.099 0.000 2.118 1017 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 1017 E C 2.238 178.886 176.600 0.079 0.000 0.992 1017 E CA 1.132 57.595 56.400 0.105 0.000 0.804 1017 E CB 0.022 29.828 29.700 0.178 0.000 0.741 1017 E HN 0.053 nan 8.360 nan 0.000 0.458 1018 V N 0.854 120.806 119.914 0.064 0.000 2.273 1018 V HA -0.225 3.895 4.120 -0.000 0.000 0.242 1018 V C 2.183 178.298 176.094 0.035 0.000 1.035 1018 V CA 1.074 63.401 62.300 0.044 0.000 1.013 1018 V CB -0.416 31.425 31.823 0.030 0.000 0.652 1018 V HN 0.177 nan 8.190 nan 0.000 0.452 1019 L N 0.212 121.454 121.223 0.031 0.000 2.011 1019 L HA -0.224 4.116 4.340 -0.000 0.000 0.225 1019 L C 1.178 178.062 176.870 0.023 0.000 1.084 1019 L CA 1.952 56.805 54.840 0.022 0.000 0.791 1019 L CB -1.044 41.026 42.059 0.018 0.000 0.898 1019 L HN 0.422 nan 8.230 nan 0.000 0.440 1020 N N -1.335 117.382 118.700 0.030 0.000 2.626 1020 N HA 0.203 4.943 4.740 -0.000 0.000 0.242 1020 N C -1.954 173.576 175.510 0.034 0.000 1.005 1020 N CA -1.162 51.905 53.050 0.028 0.000 0.905 1020 N CB 1.622 40.126 38.487 0.027 0.000 1.128 1020 N HN -0.116 nan 8.380 nan 0.000 0.512 1021 P HA -0.124 nan 4.420 nan 0.000 0.215 1021 P C 0.071 177.391 177.300 0.033 0.000 1.153 1021 P CA 0.750 63.871 63.100 0.035 0.000 0.853 1021 P CB 0.226 31.944 31.700 0.030 0.000 0.788 1022 S N 0.028 115.744 115.700 0.027 0.000 2.670 1022 S HA 0.054 4.524 4.470 -0.000 0.000 0.308 1022 S C 0.499 175.115 174.600 0.028 0.000 1.232 1022 S CA 0.164 58.379 58.200 0.025 0.000 1.126 1022 S CB -1.300 61.912 63.200 0.021 0.000 0.897 1022 S HN 0.157 nan 8.310 nan 0.000 0.508 1023 L N 3.090 124.329 121.223 0.027 0.000 3.442 1023 L HA -0.002 4.338 4.340 -0.000 0.000 0.414 1023 L C -0.795 176.097 176.870 0.037 0.000 1.107 1023 L CA 0.523 55.380 54.840 0.029 0.000 1.052 1023 L CB -1.230 40.849 42.059 0.033 0.000 1.890 1023 L HN 0.708 nan 8.230 nan 0.000 0.499 1024 K N -0.584 119.837 120.400 0.035 0.000 2.502 1024 K HA 0.770 5.090 4.320 -0.000 0.000 0.257 1024 K C 1.036 177.654 176.600 0.030 0.000 0.938 1024 K CA 0.080 56.393 56.287 0.043 0.000 0.819 1024 K CB 1.754 34.289 32.500 0.059 0.000 1.333 1024 K HN 0.620 nan 8.250 nan 0.000 0.434 1025 G N 2.385 111.200 108.800 0.024 0.000 2.417 1025 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.233 1025 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.233 1025 G C -0.295 174.609 174.900 0.006 0.000 1.103 1025 G CA 0.378 45.487 45.100 0.015 0.000 0.647 1025 G HN 0.507 nan 8.290 nan 0.000 0.512 1026 K N 2.150 122.553 120.400 0.004 0.000 2.219 1026 K HA 0.433 4.753 4.320 -0.000 0.000 0.258 1026 K C -2.369 174.216 176.600 -0.026 0.000 1.008 1026 K CA -1.016 55.266 56.287 -0.009 0.000 0.928 1026 K CB 0.961 33.458 32.500 -0.005 0.000 0.983 1026 K HN 0.233 nan 8.250 nan 0.000 0.484 1027 P HA 0.185 nan 4.420 nan 0.000 0.290 1027 P C -0.923 176.313 177.300 -0.106 0.000 1.276 1027 P CA -0.409 62.643 63.100 -0.080 0.000 0.808 1027 P CB 1.151 32.788 31.700 -0.105 0.000 0.966 1028 V N 3.704 123.553 119.914 -0.108 0.000 2.656 1028 V HA 0.356 4.476 4.120 -0.000 0.000 0.307 1028 V C 0.061 176.072 176.094 -0.138 0.000 1.051 1028 V CA -0.625 61.618 62.300 -0.096 0.000 0.893 1028 V CB 2.458 34.276 31.823 -0.009 0.000 0.999 1028 V HN 0.273 nan 8.190 nan 0.000 0.426 1029 V N 4.608 124.414 119.914 -0.180 0.000 2.554 1029 V HA 0.225 4.345 4.120 -0.000 0.000 0.258 1029 V C -0.048 176.017 176.094 -0.049 0.000 0.919 1029 V CA -0.508 61.679 62.300 -0.188 0.000 0.910 1029 V CB 1.186 32.695 31.823 -0.524 0.000 1.100 1029 V HN 0.621 nan 8.190 nan 0.000 0.491 1030 V N 1.259 121.168 119.914 -0.007 0.000 2.901 1030 V HA 0.087 4.207 4.120 -0.000 0.000 0.307 1030 V C 0.521 176.585 176.094 -0.050 0.000 1.084 1030 V CA 0.439 62.739 62.300 0.001 0.000 1.184 1030 V CB 0.666 32.512 31.823 0.038 0.000 0.941 1030 V HN 0.859 nan 8.190 nan 0.000 0.493 1031 C N 3.228 122.404 119.300 -0.206 0.000 2.898 1031 C HA 0.579 5.039 4.460 -0.000 0.000 0.304 1031 C C -0.048 174.624 174.990 -0.530 0.000 1.237 1031 C CA -0.716 58.067 59.018 -0.393 0.000 1.529 1031 C CB 1.973 29.336 27.740 -0.629 0.000 2.021 1031 C HN 0.620 nan 8.230 nan 0.000 0.474 1032 V N 2.997 122.703 119.914 -0.345 0.000 2.259 1032 V HA 0.280 4.400 4.120 -0.000 0.000 0.267 1032 V C -0.713 175.297 176.094 -0.140 0.000 1.051 1032 V CA -0.088 62.084 62.300 -0.213 0.000 0.830 1032 V CB -0.361 31.424 31.823 -0.062 0.000 1.080 1032 V HN 0.647 nan 8.190 nan 0.000 0.467 1033 F N 3.168 123.140 119.950 0.038 0.000 2.462 1033 F HA 0.175 4.702 4.527 -0.000 0.000 0.360 1033 F C 1.796 177.601 175.800 0.009 0.000 1.134 1033 F CA 0.259 58.273 58.000 0.023 0.000 1.148 1033 F CB 0.866 39.880 39.000 0.023 0.000 1.147 1033 F HN 0.528 nan 8.300 nan 0.000 0.550 1034 S N 3.494 119.302 115.700 0.181 0.000 2.377 1034 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 1034 S C 2.056 176.685 174.600 0.049 0.000 1.042 1034 S CA 2.313 60.559 58.200 0.077 0.000 1.086 1034 S CB -0.567 62.650 63.200 0.028 0.000 0.995 1034 S HN 1.161 nan 8.310 nan 0.000 0.428 1035 G N 0.295 109.110 108.800 0.024 0.000 2.253 1035 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.209 1035 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.209 1035 G C 0.801 175.650 174.900 -0.084 0.000 0.997 1035 G CA 0.535 45.629 45.100 -0.009 0.000 0.640 1035 G HN 0.529 nan 8.290 nan 0.000 0.496 1036 R N -0.203 120.177 120.500 -0.200 0.000 2.326 1036 R HA -0.003 4.337 4.340 -0.000 0.000 0.216 1036 R C 0.721 176.781 176.300 -0.401 0.000 1.064 1036 R CA 2.358 58.170 56.100 -0.479 0.000 0.827 1036 R CB -0.456 29.306 30.300 -0.896 0.000 0.809 1036 R HN 0.831 nan 8.270 nan 0.000 0.430 1037 F N -0.553 119.400 119.950 0.006 0.000 3.034 1037 F HA 0.459 4.986 4.527 -0.000 0.000 0.371 1037 F C -1.017 174.769 175.800 -0.024 0.000 1.233 1037 F CA -1.449 56.546 58.000 -0.009 0.000 1.134 1037 F CB 0.158 39.154 39.000 -0.006 0.000 1.495 1037 F HN 0.279 nan 8.300 nan 0.000 0.563 1038 E N 1.561 121.846 120.200 0.142 0.000 8.073 1038 E HA -0.189 4.161 4.350 -0.000 0.000 0.466 1038 E C -0.781 175.831 176.600 0.020 0.000 0.782 1038 E CA 0.437 56.867 56.400 0.049 0.000 1.366 1038 E CB 0.133 29.862 29.700 0.048 0.000 0.986 1038 E HN 0.848 nan 8.360 nan 0.000 0.263 1039 D N 1.572 121.922 120.400 -0.083 0.000 4.216 1039 D HA -0.176 4.464 4.640 -0.000 0.000 0.187 1039 D C -0.022 176.301 176.300 0.038 0.000 1.247 1039 D CA 1.661 55.603 54.000 -0.096 0.000 0.671 1039 D CB -1.102 39.630 40.800 -0.114 0.000 1.061 1039 D HN 0.419 nan 8.370 nan 0.000 0.511 1040 S N -0.959 114.788 115.700 0.079 0.000 2.578 1040 S HA 0.849 5.319 4.470 -0.000 0.000 0.301 1040 S C 0.595 175.291 174.600 0.161 0.000 1.091 1040 S CA 0.016 58.276 58.200 0.100 0.000 1.032 1040 S CB 3.347 66.571 63.200 0.041 0.000 1.064 1040 S HN 0.611 nan 8.310 nan 0.000 0.508 1041 G N 0.472 109.343 108.800 0.119 0.000 2.233 1041 G HA2 0.540 4.500 3.960 -0.000 0.000 0.162 1041 G HA3 0.540 4.500 3.960 -0.000 0.000 0.162 1041 G C -0.710 174.233 174.900 0.073 0.000 1.327 1041 G CA 0.072 45.236 45.100 0.107 0.000 1.187 1041 G HN 2.042 nan 8.290 nan 0.000 0.479 1042 A N -1.981 120.866 122.820 0.044 0.000 2.566 1042 A HA 0.758 5.078 4.320 -0.000 0.000 0.290 1042 A C -1.133 176.455 177.584 0.007 0.000 1.071 1042 A CA 0.233 52.291 52.037 0.035 0.000 0.658 1042 A CB 1.018 20.035 19.000 0.029 0.000 1.285 1042 A HN 1.864 nan 8.150 nan 0.000 0.427 1043 V N 1.623 121.559 119.914 0.037 0.000 2.461 1043 V HA 0.472 4.592 4.120 -0.000 0.000 0.275 1043 V C 1.371 177.478 176.094 0.022 0.000 1.047 1043 V CA 0.613 62.932 62.300 0.032 0.000 0.955 1043 V CB 0.719 32.579 31.823 0.061 0.000 0.988 1043 V HN 1.395 nan 8.190 nan 0.000 0.471 1044 A N 4.672 127.509 122.820 0.028 0.000 1.861 1044 A HA 0.242 4.562 4.320 -0.000 0.000 0.212 1044 A C 1.056 178.670 177.584 0.049 0.000 1.199 1044 A CA 1.443 53.522 52.037 0.071 0.000 0.613 1044 A CB 0.003 19.096 19.000 0.155 0.000 0.846 1044 A HN 0.899 nan 8.150 nan 0.000 0.446 1045 T N -5.243 109.341 114.554 0.050 0.000 2.769 1045 T HA 0.693 5.043 4.350 -0.000 0.000 0.306 1045 T C -0.927 173.771 174.700 -0.004 0.000 1.400 1045 T CA -0.127 61.968 62.100 -0.008 0.000 1.007 1045 T CB 1.358 70.190 68.868 -0.060 0.000 1.392 1045 T HN 1.604 nan 8.240 nan 0.000 0.500 1046 A N 1.803 124.600 122.820 -0.039 0.000 2.565 1046 A HA 0.680 5.000 4.320 -0.000 0.000 0.298 1046 A C -0.281 177.232 177.584 -0.119 0.000 1.062 1046 A CA -0.949 51.051 52.037 -0.062 0.000 0.723 1046 A CB 0.899 19.850 19.000 -0.081 0.000 1.282 1046 A HN 1.283 nan 8.150 nan 0.000 0.400 1047 N N 0.701 119.325 118.700 -0.127 0.000 2.204 1047 N HA 0.080 4.820 4.740 -0.000 0.000 0.232 1047 N C 0.377 175.687 175.510 -0.334 0.000 1.340 1047 N CA 0.705 53.555 53.050 -0.333 0.000 0.883 1047 N CB -0.117 38.115 38.487 -0.424 0.000 1.109 1047 N HN 0.585 nan 8.380 nan 0.000 0.470 1048 Y N -1.340 118.730 120.300 -0.384 0.000 2.420 1048 Y HA 0.010 4.560 4.550 -0.000 0.000 0.292 1048 Y C 2.161 177.995 175.900 -0.111 0.000 1.119 1048 Y CA 0.981 58.963 58.100 -0.195 0.000 1.229 1048 Y CB -0.087 38.263 38.460 -0.183 0.000 1.026 1048 Y HN 0.634 nan 8.280 nan 0.000 0.554 1049 E N -0.094 120.119 120.200 0.022 0.000 2.208 1049 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 1049 E C 2.133 178.800 176.600 0.112 0.000 0.988 1049 E CA 1.109 57.549 56.400 0.067 0.000 0.828 1049 E CB -0.479 29.248 29.700 0.045 0.000 0.763 1049 E HN 0.401 nan 8.360 nan 0.000 0.478 1050 A N 2.891 125.720 122.820 0.015 0.000 1.872 1050 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 1050 A C 2.368 179.983 177.584 0.053 0.000 1.187 1050 A CA 1.507 53.550 52.037 0.011 0.000 0.614 1050 A CB -0.545 18.402 19.000 -0.089 0.000 0.826 1050 A HN 0.329 nan 8.150 nan 0.000 0.442 1051 R N -0.226 120.263 120.500 -0.018 0.000 2.235 1051 R HA 0.064 4.404 4.340 -0.000 0.000 0.213 1051 R C 1.256 177.561 176.300 0.009 0.000 1.059 1051 R CA 1.205 57.293 56.100 -0.022 0.000 0.997 1051 R CB -0.388 29.846 30.300 -0.111 0.000 0.884 1051 R HN 0.295 nan 8.270 nan 0.000 0.462 1052 K N 0.248 120.666 120.400 0.030 0.000 2.585 1052 K HA -0.065 4.255 4.320 -0.000 0.000 0.194 1052 K C -0.285 176.161 176.600 -0.257 0.000 1.037 1052 K CA 0.821 57.065 56.287 -0.072 0.000 0.964 1052 K CB 0.034 32.506 32.500 -0.046 0.000 0.787 1052 K HN 0.235 nan 8.250 nan 0.000 0.488 1053 F N -1.185 118.758 119.950 -0.011 0.000 2.837 1053 F HA 0.196 4.723 4.527 -0.000 0.000 0.328 1053 F C 1.035 176.836 175.800 0.003 0.000 1.173 1053 F CA -0.072 57.927 58.000 -0.001 0.000 1.160 1053 F CB 1.626 40.627 39.000 0.001 0.000 1.115 1053 F HN 0.061 nan 8.300 nan 0.000 0.512 1054 G N 0.102 108.962 108.800 0.100 0.000 2.199 1054 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 1054 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 1054 G C 0.120 175.060 174.900 0.066 0.000 0.982 1054 G CA 0.140 45.280 45.100 0.067 0.000 0.632 1054 G HN 0.108 nan 8.290 nan 0.000 0.529 1055 V N 3.491 123.454 119.914 0.082 0.000 2.287 1055 V HA 0.385 4.505 4.120 -0.000 0.000 0.246 1055 V C 0.944 177.043 176.094 0.008 0.000 1.165 1055 V CA 0.781 63.115 62.300 0.058 0.000 1.088 1055 V CB -0.042 31.811 31.823 0.049 0.000 1.242 1055 V HN 0.685 nan 8.190 nan 0.000 0.497 1056 K N 2.957 123.357 120.400 0.000 0.000 2.303 1056 K HA 0.897 5.217 4.320 -0.000 0.000 0.233 1056 K C -0.090 176.499 176.600 -0.018 0.000 1.046 1056 K CA -0.860 55.407 56.287 -0.034 0.000 0.895 1056 K CB 1.693 34.167 32.500 -0.043 0.000 1.220 1056 K HN 0.315 nan 8.250 nan 0.000 0.470 1057 A N -0.115 122.685 122.820 -0.034 0.000 2.454 1057 A HA 0.467 4.787 4.320 -0.000 0.000 0.260 1057 A C 0.797 178.376 177.584 -0.007 0.000 1.106 1057 A CA 0.490 52.516 52.037 -0.018 0.000 0.780 1057 A CB -1.059 17.921 19.000 -0.034 0.000 1.044 1057 A HN 1.183 nan 8.150 nan 0.000 0.498 1058 G N 1.512 110.317 108.800 0.007 0.000 2.327 1058 G HA2 0.074 4.034 3.960 -0.000 0.000 0.159 1058 G HA3 0.074 4.034 3.960 -0.000 0.000 0.159 1058 G C -0.353 174.558 174.900 0.019 0.000 1.056 1058 G CA -0.042 45.064 45.100 0.010 0.000 0.751 1058 G HN 2.018 nan 8.290 nan 0.000 0.488 1059 I N -3.125 117.463 120.570 0.031 0.000 2.894 1059 I HA 0.814 4.984 4.170 -0.000 0.000 0.302 1059 I C -2.725 173.422 176.117 0.050 0.000 1.188 1059 I CA -3.257 58.067 61.300 0.040 0.000 1.014 1059 I CB 2.156 40.185 38.000 0.049 0.000 1.242 1059 I HN -0.092 nan 8.210 nan 0.000 0.430 1060 P HA 0.320 nan 4.420 nan 0.000 0.269 1060 P C 0.704 178.042 177.300 0.064 0.000 1.209 1060 P CA -0.088 63.043 63.100 0.052 0.000 0.776 1060 P CB 0.925 32.651 31.700 0.044 0.000 0.876 1061 I N 2.072 122.683 120.570 0.068 0.000 2.208 1061 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 1061 I C 2.245 178.351 176.117 -0.018 0.000 1.097 1061 I CA 1.613 62.944 61.300 0.053 0.000 1.363 1061 I CB -0.519 37.532 38.000 0.085 0.000 1.051 1061 I HN 0.228 nan 8.210 nan 0.000 0.413 1062 V N -1.345 118.571 119.914 0.004 0.000 2.282 1062 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 1062 V C 2.268 178.367 176.094 0.008 0.000 1.057 1062 V CA 2.191 64.487 62.300 -0.006 0.000 1.032 1062 V CB -0.985 30.850 31.823 0.020 0.000 0.645 1062 V HN 0.493 nan 8.190 nan 0.000 0.447 1063 E N 0.882 121.101 120.200 0.032 0.000 2.338 1063 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 1063 E C 2.025 178.664 176.600 0.065 0.000 1.007 1063 E CA 1.214 57.640 56.400 0.043 0.000 0.849 1063 E CB 0.024 29.751 29.700 0.045 0.000 0.774 1063 E HN 0.744 nan 8.360 nan 0.000 0.506 1064 A N 0.235 123.108 122.820 0.089 0.000 2.044 1064 A HA 0.027 4.347 4.320 -0.000 0.000 0.213 1064 A C 1.989 179.683 177.584 0.182 0.000 1.169 1064 A CA 0.443 52.581 52.037 0.167 0.000 0.724 1064 A CB 0.043 19.214 19.000 0.286 0.000 0.840 1064 A HN -0.028 nan 8.150 nan 0.000 0.463 1065 K N 1.047 121.471 120.400 0.040 0.000 2.209 1065 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 1065 K C 1.689 178.306 176.600 0.029 0.000 1.048 1065 K CA 1.617 57.886 56.287 -0.030 0.000 0.940 1065 K CB -0.069 32.342 32.500 -0.148 0.000 0.729 1065 K HN 0.659 nan 8.250 nan 0.000 0.451 1066 K N -1.082 119.339 120.400 0.036 0.000 2.387 1066 K HA 0.090 4.410 4.320 -0.000 0.000 0.198 1066 K C 0.834 177.466 176.600 0.053 0.000 1.022 1066 K CA 0.240 56.548 56.287 0.035 0.000 1.128 1066 K CB 0.377 32.892 32.500 0.026 0.000 0.853 1066 K HN -0.076 nan 8.250 nan 0.000 0.523 1067 I N 0.976 121.592 120.570 0.078 0.000 2.900 1067 I HA 0.126 4.296 4.170 -0.000 0.000 0.251 1067 I C 0.659 176.810 176.117 0.056 0.000 1.102 1067 I CA 0.362 61.718 61.300 0.093 0.000 1.457 1067 I CB 0.459 38.533 38.000 0.122 0.000 1.285 1067 I HN 0.087 nan 8.210 nan 0.000 0.459 1068 L N 2.274 123.550 121.223 0.088 0.000 2.488 1068 L HA 0.274 4.614 4.340 -0.000 0.000 0.250 1068 L C -1.743 175.227 176.870 0.167 0.000 1.280 1068 L CA -1.014 53.843 54.840 0.029 0.000 0.929 1068 L CB 1.410 43.439 42.059 -0.051 0.000 1.200 1068 L HN 0.025 nan 8.230 nan 0.000 0.495 1069 P HA -0.170 nan 4.420 nan 0.000 0.219 1069 P C 0.486 177.857 177.300 0.117 0.000 1.150 1069 P CA 0.980 64.149 63.100 0.116 0.000 0.814 1069 P CB 0.025 31.747 31.700 0.037 0.000 0.787 1070 N N 0.288 119.006 118.700 0.031 0.000 2.543 1070 N HA 0.264 5.004 4.740 -0.000 0.000 0.289 1070 N C -0.564 174.928 175.510 -0.031 0.000 1.223 1070 N CA -0.297 52.744 53.050 -0.014 0.000 1.080 1070 N CB -0.364 38.074 38.487 -0.083 0.000 1.450 1070 N HN 0.063 nan 8.380 nan 0.000 0.501 1071 A N 1.651 124.489 122.820 0.030 0.000 2.515 1071 A HA 0.352 4.672 4.320 -0.000 0.000 0.292 1071 A C -1.289 176.275 177.584 -0.033 0.000 1.065 1071 A CA -0.660 51.327 52.037 -0.084 0.000 0.641 1071 A CB 1.019 19.852 19.000 -0.278 0.000 1.306 1071 A HN 0.148 nan 8.150 nan 0.000 0.441 1072 V N 1.709 121.541 119.914 -0.137 0.000 2.220 1072 V HA 0.288 4.408 4.120 -0.000 0.000 0.265 1072 V C -1.204 174.866 176.094 -0.040 0.000 1.078 1072 V CA -0.166 62.123 62.300 -0.018 0.000 0.872 1072 V CB -0.781 31.039 31.823 -0.004 0.000 1.121 1072 V HN 0.605 nan 8.190 nan 0.000 0.460 1073 Y N 4.249 124.600 120.300 0.086 0.000 2.480 1073 Y HA 0.463 5.013 4.550 -0.000 0.000 0.341 1073 Y C 0.519 176.534 175.900 0.192 0.000 1.031 1073 Y CA -0.068 58.111 58.100 0.132 0.000 1.295 1073 Y CB 0.384 38.952 38.460 0.181 0.000 1.162 1073 Y HN 0.417 nan 8.280 nan 0.000 0.523 1074 L N 5.833 127.208 121.223 0.253 0.000 2.299 1074 L HA 0.648 4.988 4.340 -0.000 0.000 0.268 1074 L C -2.313 174.682 176.870 0.209 0.000 1.012 1074 L CA -2.433 52.552 54.840 0.242 0.000 0.816 1074 L CB 1.735 43.877 42.059 0.137 0.000 1.355 1074 L HN 0.340 nan 8.230 nan 0.000 0.457 1075 P HA 0.259 nan 4.420 nan 0.000 0.287 1075 P C -1.121 176.169 177.300 -0.016 0.000 1.279 1075 P CA -0.822 62.322 63.100 0.073 0.000 0.867 1075 P CB 1.301 33.190 31.700 0.315 0.000 1.127 1076 M N 2.843 122.385 119.600 -0.096 0.000 2.219 1076 M HA 0.139 4.619 4.480 -0.000 0.000 0.353 1076 M C 0.521 176.785 176.300 -0.059 0.000 1.304 1076 M CA 0.125 55.403 55.300 -0.038 0.000 1.115 1076 M CB 0.362 32.919 32.600 -0.072 0.000 1.664 1076 M HN 0.129 nan 8.290 nan 0.000 0.459 1077 R N 3.631 124.048 120.500 -0.137 0.000 3.534 1077 R HA 0.072 4.412 4.340 -0.000 0.000 0.312 1077 R C 0.699 176.557 176.300 -0.737 0.000 1.419 1077 R CA -0.270 55.539 56.100 -0.486 0.000 1.262 1077 R CB -0.269 29.609 30.300 -0.702 0.000 1.437 1077 R HN 0.675 nan 8.270 nan 0.000 0.627 1078 K N 2.729 122.961 120.400 -0.279 0.000 2.032 1078 K HA -0.264 4.056 4.320 -0.000 0.000 0.218 1078 K C 1.660 178.161 176.600 -0.166 0.000 1.054 1078 K CA 2.428 58.636 56.287 -0.133 0.000 0.941 1078 K CB -0.006 32.469 32.500 -0.041 0.000 0.720 1078 K HN 0.531 nan 8.250 nan 0.000 0.449 1079 E N -0.500 119.600 120.200 -0.167 0.000 2.409 1079 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 1079 E C 0.700 177.193 176.600 -0.178 0.000 1.024 1079 E CA 1.075 57.399 56.400 -0.127 0.000 0.861 1079 E CB 0.048 29.694 29.700 -0.090 0.000 0.788 1079 E HN 0.128 nan 8.360 nan 0.000 0.521 1080 V N 0.820 120.511 119.914 -0.371 0.000 3.342 1080 V HA 0.064 4.184 4.120 -0.000 0.000 0.322 1080 V C 0.218 176.032 176.094 -0.466 0.000 1.370 1080 V CA 0.003 62.071 62.300 -0.388 0.000 1.170 1080 V CB -0.860 30.716 31.823 -0.413 0.000 1.101 1080 V HN 0.237 nan 8.190 nan 0.000 0.442 1081 Y N -0.458 119.791 120.300 -0.084 0.000 2.500 1081 Y HA 0.108 4.658 4.550 -0.000 0.000 0.284 1081 Y C 2.451 178.474 175.900 0.205 0.000 1.118 1081 Y CA 0.082 58.153 58.100 -0.048 0.000 1.241 1081 Y CB -0.450 37.940 38.460 -0.117 0.000 1.171 1081 Y HN 0.169 nan 8.280 nan 0.000 0.540 1082 Q N 0.774 120.749 119.800 0.290 0.000 2.173 1082 Q HA -0.258 4.082 4.340 -0.000 0.000 0.208 1082 Q C 1.791 177.893 176.000 0.169 0.000 0.989 1082 Q CA 1.986 57.926 55.803 0.229 0.000 0.872 1082 Q CB -0.198 28.612 28.738 0.120 0.000 0.909 1082 Q HN 0.506 nan 8.270 nan 0.000 0.420 1083 Q N -1.650 118.211 119.800 0.101 0.000 2.435 1083 Q HA -0.007 4.333 4.340 -0.000 0.000 0.207 1083 Q C 1.446 177.500 176.000 0.089 0.000 0.956 1083 Q CA 0.642 56.483 55.803 0.064 0.000 0.917 1083 Q CB 0.542 29.285 28.738 0.009 0.000 0.997 1083 Q HN 0.223 nan 8.270 nan 0.000 0.497 1084 V N -1.218 118.795 119.914 0.165 0.000 2.672 1084 V HA -0.098 4.022 4.120 -0.000 0.000 0.242 1084 V C 1.992 178.243 176.094 0.261 0.000 1.059 1084 V CA 1.297 63.720 62.300 0.204 0.000 1.081 1084 V CB 0.004 31.981 31.823 0.257 0.000 0.752 1084 V HN 0.263 nan 8.190 nan 0.000 0.472 1085 S N 0.195 116.161 115.700 0.443 0.000 2.343 1085 S HA -0.213 4.257 4.470 -0.000 0.000 0.219 1085 S C 2.295 177.001 174.600 0.177 0.000 1.033 1085 S CA 2.293 60.695 58.200 0.336 0.000 1.014 1085 S CB -0.382 63.071 63.200 0.422 0.000 0.915 1085 S HN 0.533 nan 8.310 nan 0.000 0.435 1086 S N 1.606 117.400 115.700 0.157 0.000 2.377 1086 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 1086 S C 1.989 176.629 174.600 0.067 0.000 1.042 1086 S CA 1.713 59.972 58.200 0.098 0.000 1.086 1086 S CB -0.557 62.689 63.200 0.077 0.000 0.995 1086 S HN 0.540 nan 8.310 nan 0.000 0.428 1087 R N 0.388 120.921 120.500 0.054 0.000 2.112 1087 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 1087 R C 2.296 178.601 176.300 0.008 0.000 1.137 1087 R CA 1.808 57.925 56.100 0.027 0.000 0.944 1087 R CB -0.751 29.562 30.300 0.021 0.000 0.857 1087 R HN 0.401 nan 8.270 nan 0.000 0.435 1088 I N 0.639 121.193 120.570 -0.027 0.000 2.091 1088 I HA -0.352 3.818 4.170 -0.000 0.000 0.239 1088 I C 2.510 178.626 176.117 -0.002 0.000 1.061 1088 I CA 1.411 62.657 61.300 -0.090 0.000 1.317 1088 I CB -0.239 37.561 38.000 -0.334 0.000 1.031 1088 I HN 0.201 nan 8.210 nan 0.000 0.401 1089 M N -0.059 119.576 119.600 0.058 0.000 2.267 1089 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 1089 M C 1.363 177.700 176.300 0.063 0.000 1.063 1089 M CA 1.726 57.079 55.300 0.088 0.000 1.090 1089 M CB -1.330 31.327 32.600 0.095 0.000 1.392 1089 M HN 0.313 nan 8.290 nan 0.000 0.422 1090 N N 0.238 118.967 118.700 0.048 0.000 2.299 1090 N HA 0.045 4.785 4.740 -0.000 0.000 0.187 1090 N C 1.387 176.918 175.510 0.035 0.000 1.099 1090 N CA 0.284 53.357 53.050 0.039 0.000 0.867 1090 N CB 0.038 38.543 38.487 0.031 0.000 0.974 1090 N HN 0.376 nan 8.380 nan 0.000 0.477 1091 L N -2.663 118.585 121.223 0.040 0.000 2.513 1091 L HA 0.378 4.718 4.340 -0.000 0.000 0.222 1091 L C 1.340 178.283 176.870 0.121 0.000 1.096 1091 L CA 0.932 55.804 54.840 0.053 0.000 0.857 1091 L CB -0.431 41.651 42.059 0.038 0.000 1.026 1091 L HN -0.042 nan 8.230 nan 0.000 0.469 1092 L N -0.165 121.125 121.223 0.113 0.000 2.179 1092 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 1092 L C 2.874 179.836 176.870 0.152 0.000 1.096 1092 L CA 0.866 55.798 54.840 0.155 0.000 0.779 1092 L CB -0.271 41.842 42.059 0.089 0.000 0.922 1092 L HN 0.378 nan 8.230 nan 0.000 0.443 1093 R N 0.470 121.027 120.500 0.096 0.000 2.120 1093 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 1093 R C 1.681 178.019 176.300 0.064 0.000 1.123 1093 R CA 1.283 57.426 56.100 0.073 0.000 0.975 1093 R CB 0.067 30.398 30.300 0.051 0.000 0.866 1093 R HN 0.390 nan 8.270 nan 0.000 0.446 1094 E N -0.844 119.383 120.200 0.045 0.000 2.478 1094 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 1094 E C 0.794 177.358 176.600 -0.059 0.000 1.045 1094 E CA 0.277 56.666 56.400 -0.019 0.000 0.868 1094 E CB 0.225 29.885 29.700 -0.066 0.000 0.885 1094 E HN 0.449 nan 8.360 nan 0.000 0.505 1095 Y N 0.652 120.959 120.300 0.011 0.000 2.544 1095 Y HA -0.007 4.543 4.550 -0.000 0.000 0.286 1095 Y C 1.001 176.912 175.900 0.018 0.000 1.141 1095 Y CA 0.408 58.516 58.100 0.013 0.000 1.299 1095 Y CB 0.743 39.210 38.460 0.012 0.000 1.030 1095 Y HN -0.151 nan 8.280 nan 0.000 0.543 1096 S N -1.552 114.239 115.700 0.152 0.000 2.580 1096 S HA 0.172 4.642 4.470 -0.000 0.000 0.281 1096 S C -0.236 174.408 174.600 0.073 0.000 1.129 1096 S CA -0.728 57.532 58.200 0.101 0.000 0.862 1096 S CB 1.061 64.326 63.200 0.108 0.000 1.090 1096 S HN 0.050 nan 8.310 nan 0.000 0.451 1097 E N 1.365 121.598 120.200 0.054 0.000 2.478 1097 E HA 0.266 4.616 4.350 -0.000 0.000 0.194 1097 E C 0.169 176.799 176.600 0.049 0.000 1.045 1097 E CA 0.411 56.837 56.400 0.044 0.000 0.868 1097 E CB 0.245 29.964 29.700 0.032 0.000 0.885 1097 E HN 0.435 nan 8.360 nan 0.000 0.505 1098 K N 1.005 121.438 120.400 0.056 0.000 2.997 1098 K HA 0.185 4.505 4.320 -0.000 0.000 0.249 1098 K C -0.101 176.544 176.600 0.074 0.000 1.284 1098 K CA -0.241 56.080 56.287 0.057 0.000 1.245 1098 K CB -0.153 32.378 32.500 0.052 0.000 1.670 1098 K HN 0.262 nan 8.250 nan 0.000 0.385 1099 I N 0.682 121.297 120.570 0.075 0.000 2.945 1099 I HA 0.024 4.194 4.170 -0.000 0.000 0.292 1099 I C 0.178 176.361 176.117 0.109 0.000 1.093 1099 I CA -0.057 61.297 61.300 0.091 0.000 1.336 1099 I CB 0.868 38.912 38.000 0.073 0.000 1.435 1099 I HN 0.335 nan 8.210 nan 0.000 0.593 1100 E N 5.766 126.061 120.200 0.159 0.000 2.317 1100 E HA 0.473 4.823 4.350 -0.000 0.000 0.270 1100 E C -1.550 175.143 176.600 0.155 0.000 0.885 1100 E CA -0.691 55.816 56.400 0.179 0.000 0.760 1100 E CB 1.687 31.552 29.700 0.274 0.000 1.227 1100 E HN 0.537 nan 8.360 nan 0.000 0.434 1101 I N 4.343 124.976 120.570 0.106 0.000 2.555 1101 I HA 0.283 4.453 4.170 -0.000 0.000 0.275 1101 I C 0.740 176.885 176.117 0.046 0.000 1.082 1101 I CA -0.305 61.018 61.300 0.038 0.000 1.167 1101 I CB 1.358 39.372 38.000 0.024 0.000 1.312 1101 I HN 0.722 nan 8.210 nan 0.000 0.493 1102 A N 3.520 126.376 122.820 0.060 0.000 2.015 1102 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 1102 A C 1.107 178.694 177.584 0.005 0.000 1.163 1102 A CA 1.444 53.532 52.037 0.086 0.000 0.646 1102 A CB 0.033 19.139 19.000 0.177 0.000 0.806 1102 A HN 0.634 nan 8.150 nan 0.000 0.448 1103 S N -3.299 112.359 115.700 -0.070 0.000 2.656 1103 S HA 0.339 4.809 4.470 -0.000 0.000 0.265 1103 S C 0.376 174.888 174.600 -0.146 0.000 1.132 1103 S CA 0.033 58.182 58.200 -0.085 0.000 0.819 1103 S CB -0.414 62.724 63.200 -0.105 0.000 1.119 1103 S HN 0.324 nan 8.310 nan 0.000 0.476 1104 I N 1.068 121.588 120.570 -0.083 0.000 2.614 1104 I HA -0.022 4.148 4.170 -0.000 0.000 0.258 1104 I C 0.293 176.197 176.117 -0.355 0.000 1.189 1104 I CA 1.941 63.221 61.300 -0.032 0.000 1.462 1104 I CB -0.102 38.040 38.000 0.237 0.000 1.092 1104 I HN 0.745 nan 8.210 nan 0.000 0.442 1105 D N -0.882 119.158 120.400 -0.600 0.000 2.819 1105 D HA 0.289 4.929 4.640 -0.000 0.000 0.326 1105 D C -0.465 175.095 176.300 -1.234 0.000 1.408 1105 D CA -0.334 52.985 54.000 -1.135 0.000 0.811 1105 D CB 0.184 40.611 40.800 -0.620 0.000 1.148 1105 D HN 0.134 nan 8.370 nan 0.000 0.457 1106 E N -0.274 119.238 120.200 -1.147 0.000 2.451 1106 E HA 0.627 4.977 4.350 -0.000 0.000 0.295 1106 E C -1.774 174.433 176.600 -0.654 0.000 0.966 1106 E CA -0.918 55.006 56.400 -0.793 0.000 0.808 1106 E CB 2.041 31.559 29.700 -0.303 0.000 1.242 1106 E HN 0.235 nan 8.360 nan 0.000 0.412 1107 A N 2.369 124.714 122.820 -0.791 0.000 2.589 1107 A HA 0.690 5.010 4.320 -0.000 0.000 0.296 1107 A C -2.132 175.165 177.584 -0.478 0.000 1.062 1107 A CA -0.644 51.125 52.037 -0.447 0.000 0.686 1107 A CB 0.905 19.736 19.000 -0.282 0.000 1.282 1107 A HN 0.466 nan 8.150 nan 0.000 0.404 1108 Y N 0.586 120.937 120.300 0.086 0.000 2.409 1108 Y HA 0.680 5.230 4.550 0.000 0.000 0.339 1108 Y C -0.304 175.639 175.900 0.072 0.000 1.033 1108 Y CA -0.950 57.247 58.100 0.162 0.000 1.094 1108 Y CB 1.713 40.297 38.460 0.207 0.000 1.210 1108 Y HN 0.456 nan 8.280 nan 0.000 0.456 1109 L N 3.272 124.617 121.223 0.204 0.000 2.333 1109 L HA 0.298 4.638 4.340 -0.000 0.000 0.280 1109 L C -0.582 176.372 176.870 0.140 0.000 1.004 1109 L CA -0.930 53.992 54.840 0.136 0.000 0.820 1109 L CB 1.457 43.564 42.059 0.081 0.000 1.247 1109 L HN 0.602 nan 8.230 nan 0.000 0.416 1110 D N 4.314 124.781 120.400 0.112 0.000 2.411 1110 D HA 0.179 4.819 4.640 -0.000 0.000 0.225 1110 D C 0.751 177.090 176.300 0.065 0.000 1.156 1110 D CA -0.153 53.897 54.000 0.083 0.000 0.874 1110 D CB 0.646 41.484 40.800 0.065 0.000 1.034 1110 D HN 0.538 nan 8.370 nan 0.000 0.502 1111 I N 0.741 121.346 120.570 0.057 0.000 3.874 1111 I HA 0.166 4.336 4.170 -0.000 0.000 0.331 1111 I C 0.474 176.604 176.117 0.022 0.000 1.489 1111 I CA -0.442 60.887 61.300 0.048 0.000 1.187 1111 I CB 0.191 38.223 38.000 0.053 0.000 1.150 1111 I HN -0.039 nan 8.210 nan 0.000 0.412 1112 S N 1.363 117.070 115.700 0.012 0.000 2.561 1112 S HA -0.008 4.462 4.470 -0.000 0.000 0.225 1112 S C 0.911 175.507 174.600 -0.007 0.000 0.977 1112 S CA 0.708 58.901 58.200 -0.011 0.000 0.926 1112 S CB -0.158 63.035 63.200 -0.013 0.000 0.769 1112 S HN 0.615 nan 8.310 nan 0.000 0.533 1113 D N 0.458 120.863 120.400 0.007 0.000 2.417 1113 D HA 0.106 4.746 4.640 -0.000 0.000 0.207 1113 D C 1.378 177.687 176.300 0.015 0.000 1.075 1113 D CA 0.211 54.215 54.000 0.008 0.000 0.851 1113 D CB 0.153 40.960 40.800 0.011 0.000 0.976 1113 D HN 0.165 nan 8.370 nan 0.000 0.505 1114 K N 0.783 121.197 120.400 0.024 0.000 2.202 1114 K HA 0.118 4.438 4.320 -0.000 0.000 0.201 1114 K C 1.224 177.845 176.600 0.035 0.000 1.051 1114 K CA 0.414 56.724 56.287 0.037 0.000 0.977 1114 K CB 0.424 32.960 32.500 0.060 0.000 0.792 1114 K HN 0.195 nan 8.250 nan 0.000 0.469 1115 V N -1.497 118.432 119.914 0.024 0.000 2.914 1115 V HA 0.458 4.578 4.120 -0.000 0.000 0.314 1115 V C 0.952 177.044 176.094 -0.004 0.000 1.084 1115 V CA -1.082 61.230 62.300 0.019 0.000 0.963 1115 V CB 2.459 34.299 31.823 0.027 0.000 1.025 1115 V HN -0.075 nan 8.190 nan 0.000 0.432 1116 R N 1.353 121.853 120.500 0.000 0.000 2.078 1116 R HA 0.147 4.487 4.340 -0.000 0.000 0.224 1116 R C -0.241 176.037 176.300 -0.037 0.000 1.149 1116 R CA 1.945 58.038 56.100 -0.011 0.000 0.916 1116 R CB -0.108 30.195 30.300 0.004 0.000 0.821 1116 R HN 1.025 nan 8.270 nan 0.000 0.434 1117 D N -2.523 117.864 120.400 -0.021 0.000 2.645 1117 D HA 0.106 4.745 4.640 -0.000 0.000 0.228 1117 D C -0.003 176.310 176.300 0.021 0.000 1.148 1117 D CA -0.807 53.173 54.000 -0.033 0.000 0.860 1117 D CB 0.195 41.012 40.800 0.028 0.000 1.548 1117 D HN -0.107 nan 8.370 nan 0.000 0.460 1118 Y N 0.447 120.779 120.300 0.053 0.000 2.064 1118 Y HA -0.371 4.179 4.550 -0.000 0.000 0.262 1118 Y C 2.690 178.655 175.900 0.108 0.000 1.243 1118 Y CA 2.425 60.570 58.100 0.075 0.000 1.096 1118 Y CB -0.492 38.009 38.460 0.069 0.000 0.915 1118 Y HN 0.484 nan 8.280 nan 0.000 0.505 1119 R N 0.767 121.423 120.500 0.260 0.000 2.206 1119 R HA -0.282 4.058 4.340 -0.000 0.000 0.240 1119 R C 1.926 178.317 176.300 0.152 0.000 1.117 1119 R CA 2.517 58.714 56.100 0.160 0.000 0.915 1119 R CB -0.675 29.679 30.300 0.090 0.000 0.888 1119 R HN 0.458 nan 8.270 nan 0.000 0.432 1120 E N -0.153 120.113 120.200 0.111 0.000 2.077 1120 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 1120 E C 1.930 178.605 176.600 0.125 0.000 0.989 1120 E CA 1.247 57.704 56.400 0.096 0.000 0.800 1120 E CB -0.341 29.396 29.700 0.062 0.000 0.746 1120 E HN 0.523 nan 8.360 nan 0.000 0.452 1121 A N 0.627 123.524 122.820 0.128 0.000 2.024 1121 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 1121 A C 2.049 179.728 177.584 0.159 0.000 1.164 1121 A CA 1.311 53.419 52.037 0.119 0.000 0.643 1121 A CB -0.793 18.267 19.000 0.099 0.000 0.806 1121 A HN 0.390 nan 8.150 nan 0.000 0.451 1122 Y N 0.568 120.915 120.300 0.078 0.000 2.109 1122 Y HA -0.239 4.311 4.550 -0.000 0.000 0.285 1122 Y C 2.575 178.493 175.900 0.030 0.000 1.131 1122 Y CA 1.768 59.903 58.100 0.058 0.000 1.121 1122 Y CB -0.238 38.258 38.460 0.061 0.000 0.987 1122 Y HN 0.476 nan 8.280 nan 0.000 0.495 1123 N N 0.441 119.332 118.700 0.318 0.000 2.137 1123 N HA -0.250 4.490 4.740 -0.000 0.000 0.190 1123 N C 1.897 177.486 175.510 0.132 0.000 1.017 1123 N CA 1.381 54.544 53.050 0.187 0.000 0.859 1123 N CB -0.251 38.295 38.487 0.098 0.000 1.002 1123 N HN 0.413 nan 8.380 nan 0.000 0.428 1124 L N 1.164 122.448 121.223 0.102 0.000 2.083 1124 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 1124 L C 2.344 179.168 176.870 -0.077 0.000 1.083 1124 L CA 1.773 56.632 54.840 0.030 0.000 0.752 1124 L CB -0.953 41.129 42.059 0.039 0.000 0.899 1124 L HN 0.189 nan 8.230 nan 0.000 0.433 1125 G N -0.433 108.345 108.800 -0.037 0.000 2.480 1125 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 1125 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 1125 G C 1.574 176.437 174.900 -0.061 0.000 1.200 1125 G CA 1.160 46.204 45.100 -0.092 0.000 0.782 1125 G HN 0.412 nan 8.290 nan 0.000 0.554 1126 L N 0.140 121.391 121.223 0.046 0.000 2.127 1126 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 1126 L C 2.751 179.635 176.870 0.024 0.000 1.089 1126 L CA 1.477 56.358 54.840 0.069 0.000 0.757 1126 L CB -0.340 41.812 42.059 0.155 0.000 0.899 1126 L HN 0.277 nan 8.230 nan 0.000 0.434 1127 E N 0.535 120.742 120.200 0.013 0.000 2.077 1127 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 1127 E C 2.096 178.667 176.600 -0.049 0.000 0.989 1127 E CA 1.272 57.688 56.400 0.026 0.000 0.800 1127 E CB -0.010 29.740 29.700 0.083 0.000 0.746 1127 E HN 0.439 nan 8.360 nan 0.000 0.452 1128 I N -0.120 120.305 120.570 -0.242 0.000 2.333 1128 I HA -0.139 4.031 4.170 -0.000 0.000 0.246 1128 I C 2.321 178.350 176.117 -0.146 0.000 1.106 1128 I CA 0.646 61.728 61.300 -0.363 0.000 1.411 1128 I CB -0.121 37.561 38.000 -0.530 0.000 1.082 1128 I HN -0.019 nan 8.210 nan 0.000 0.420 1129 K N 1.120 121.456 120.400 -0.107 0.000 2.020 1129 K HA -0.220 4.100 4.320 -0.000 0.000 0.212 1129 K C 2.013 178.590 176.600 -0.038 0.000 1.050 1129 K CA 1.800 58.047 56.287 -0.067 0.000 0.929 1129 K CB -0.129 32.345 32.500 -0.043 0.000 0.714 1129 K HN 0.300 nan 8.250 nan 0.000 0.443 1130 N N 0.309 119.001 118.700 -0.014 0.000 2.069 1130 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 1130 N C 1.769 177.289 175.510 0.017 0.000 1.031 1130 N CA 1.260 54.315 53.050 0.007 0.000 0.852 1130 N CB -0.082 38.419 38.487 0.025 0.000 1.018 1130 N HN 0.097 nan 8.380 nan 0.000 0.423 1131 K N 1.356 121.781 120.400 0.041 0.000 2.063 1131 K HA -0.028 4.292 4.320 -0.000 0.000 0.208 1131 K C 1.977 178.589 176.600 0.020 0.000 1.048 1131 K CA 0.880 57.205 56.287 0.063 0.000 0.928 1131 K CB -0.142 32.454 32.500 0.159 0.000 0.713 1131 K HN 0.147 nan 8.250 nan 0.000 0.442 1132 I N -0.020 120.542 120.570 -0.013 0.000 2.163 1132 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 1132 I C 2.117 178.201 176.117 -0.055 0.000 1.081 1132 I CA 0.695 61.959 61.300 -0.060 0.000 1.353 1132 I CB -0.332 37.594 38.000 -0.123 0.000 1.054 1132 I HN 0.154 nan 8.210 nan 0.000 0.407 1133 L N 1.007 122.204 121.223 -0.043 0.000 2.081 1133 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 1133 L C 2.174 179.037 176.870 -0.012 0.000 1.080 1133 L CA 1.992 56.816 54.840 -0.027 0.000 0.754 1133 L CB -0.534 41.516 42.059 -0.015 0.000 0.893 1133 L HN 0.128 nan 8.230 nan 0.000 0.433 1134 E N -0.973 119.224 120.200 -0.004 0.000 2.285 1134 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 1134 E C 1.892 178.492 176.600 0.000 0.000 0.997 1134 E CA 0.565 56.967 56.400 0.003 0.000 0.845 1134 E CB 0.088 29.795 29.700 0.011 0.000 0.782 1134 E HN 0.285 nan 8.360 nan 0.000 0.491 1135 K N -0.237 120.159 120.400 -0.007 0.000 2.335 1135 K HA 0.126 4.446 4.320 -0.000 0.000 0.195 1135 K C 0.459 177.050 176.600 -0.015 0.000 1.058 1135 K CA 0.505 56.787 56.287 -0.008 0.000 0.988 1135 K CB 0.892 33.389 32.500 -0.006 0.000 0.880 1135 K HN -0.022 nan 8.250 nan 0.000 0.513 1136 E N 0.400 120.584 120.200 -0.027 0.000 2.759 1136 E HA 0.100 4.450 4.350 -0.000 0.000 0.220 1136 E C -0.552 176.036 176.600 -0.019 0.000 0.974 1136 E CA -0.055 56.331 56.400 -0.024 0.000 1.148 1136 E CB 0.789 30.464 29.700 -0.043 0.000 1.059 1136 E HN 0.124 nan 8.360 nan 0.000 0.493 1137 K N 0.781 121.171 120.400 -0.016 0.000 2.960 1137 K HA -0.195 4.125 4.320 -0.000 0.000 0.259 1137 K C 0.163 176.753 176.600 -0.018 0.000 1.025 1137 K CA 0.655 56.937 56.287 -0.008 0.000 0.756 1137 K CB -1.162 31.341 32.500 0.005 0.000 1.221 1137 K HN 0.089 nan 8.250 nan 0.000 0.483 1138 I N 1.443 121.985 120.570 -0.046 0.000 2.437 1138 I HA 0.143 4.312 4.170 -0.000 0.000 0.298 1138 I C 1.236 177.304 176.117 -0.082 0.000 0.984 1138 I CA -0.360 60.895 61.300 -0.075 0.000 1.214 1138 I CB 1.442 39.362 38.000 -0.133 0.000 1.365 1138 I HN 0.152 nan 8.210 nan 0.000 0.469 1139 T N 3.847 118.357 114.554 -0.073 0.000 2.895 1139 T HA 0.834 5.184 4.350 -0.000 0.000 0.283 1139 T C -0.320 174.347 174.700 -0.055 0.000 1.014 1139 T CA -0.611 61.459 62.100 -0.050 0.000 1.037 1139 T CB 1.756 70.621 68.868 -0.004 0.000 1.006 1139 T HN 0.505 nan 8.240 nan 0.000 0.468 1140 V N -0.836 119.056 119.914 -0.037 0.000 3.114 1140 V HA 0.823 4.943 4.120 -0.000 0.000 0.308 1140 V C -0.549 175.534 176.094 -0.018 0.000 1.168 1140 V CA -0.996 61.301 62.300 -0.005 0.000 1.015 1140 V CB 1.841 33.662 31.823 -0.004 0.000 1.050 1140 V HN 0.993 nan 8.190 nan 0.000 0.433 1141 T N 2.437 116.980 114.554 -0.018 0.000 2.821 1141 T HA 0.575 4.925 4.350 -0.000 0.000 0.307 1141 T C -0.153 174.525 174.700 -0.037 0.000 1.034 1141 T CA -0.291 61.800 62.100 -0.016 0.000 0.953 1141 T CB 0.887 69.772 68.868 0.029 0.000 0.968 1141 T HN 0.731 nan 8.240 nan 0.000 0.462 1142 V N 2.725 122.605 119.914 -0.058 0.000 2.649 1142 V HA 0.738 4.858 4.120 -0.000 0.000 0.292 1142 V C 0.884 176.972 176.094 -0.009 0.000 1.055 1142 V CA -0.507 61.753 62.300 -0.067 0.000 1.023 1142 V CB 1.361 33.116 31.823 -0.114 0.000 0.992 1142 V HN 0.989 nan 8.190 nan 0.000 0.480 1143 G N 3.664 112.512 108.800 0.080 0.000 2.662 1143 G HA2 0.729 4.689 3.960 -0.000 0.000 0.302 1143 G HA3 0.729 4.689 3.960 -0.000 0.000 0.302 1143 G C -1.481 173.499 174.900 0.132 0.000 1.389 1143 G CA -0.476 44.692 45.100 0.114 0.000 0.998 1143 G HN 0.560 nan 8.290 nan 0.000 0.502 1144 I N 1.732 122.360 120.570 0.096 0.000 2.439 1144 I HA 0.581 4.751 4.170 -0.000 0.000 0.285 1144 I C 0.135 176.380 176.117 0.214 0.000 1.021 1144 I CA -0.090 61.301 61.300 0.153 0.000 1.091 1144 I CB 2.022 40.095 38.000 0.121 0.000 1.242 1144 I HN 0.519 nan 8.210 nan 0.000 0.439 1145 S N 4.027 119.889 115.700 0.271 0.000 2.819 1145 S HA 0.468 4.938 4.470 -0.000 0.000 0.299 1145 S C 0.799 175.591 174.600 0.321 0.000 1.192 1145 S CA -0.624 57.760 58.200 0.306 0.000 0.847 1145 S CB 1.481 64.823 63.200 0.235 0.000 1.224 1145 S HN 0.554 nan 8.310 nan 0.000 0.537 1146 K N 0.588 121.151 120.400 0.271 0.000 1.969 1146 K HA -0.121 4.199 4.320 -0.000 0.000 0.216 1146 K C 0.669 177.371 176.600 0.169 0.000 1.048 1146 K CA 2.078 58.482 56.287 0.194 0.000 0.948 1146 K CB -0.488 32.084 32.500 0.121 0.000 0.726 1146 K HN 0.669 nan 8.250 nan 0.000 0.442 1147 N N -0.590 118.241 118.700 0.218 0.000 2.741 1147 N HA 0.064 4.804 4.740 -0.000 0.000 0.310 1147 N C 0.331 175.963 175.510 0.204 0.000 1.295 1147 N CA -0.426 52.766 53.050 0.237 0.000 0.893 1147 N CB 0.821 39.532 38.487 0.374 0.000 1.247 1147 N HN -0.230 nan 8.380 nan 0.000 0.596 1148 K N -0.965 119.537 120.400 0.170 0.000 2.097 1148 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 1148 K C 1.288 177.837 176.600 -0.085 0.000 1.050 1148 K CA 0.981 57.241 56.287 -0.045 0.000 0.938 1148 K CB -0.170 32.202 32.500 -0.213 0.000 0.718 1148 K HN 0.381 nan 8.250 nan 0.000 0.442 1149 V N 0.174 120.026 119.914 -0.103 0.000 2.446 1149 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 1149 V C 1.667 177.577 176.094 -0.307 0.000 1.039 1149 V CA 1.293 63.421 62.300 -0.287 0.000 1.045 1149 V CB -0.388 31.094 31.823 -0.569 0.000 0.681 1149 V HN 0.197 nan 8.190 nan 0.000 0.459 1150 F N 0.959 120.846 119.950 -0.105 0.000 2.293 1150 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 1150 F C 2.385 178.168 175.800 -0.028 0.000 1.086 1150 F CA 1.066 59.025 58.000 -0.069 0.000 1.375 1150 F CB -0.747 38.224 39.000 -0.049 0.000 1.045 1150 F HN 0.095 nan 8.300 nan 0.000 0.516 1151 A N -0.188 122.729 122.820 0.162 0.000 1.940 1151 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 1151 A C 2.259 179.830 177.584 -0.022 0.000 1.176 1151 A CA 1.925 54.056 52.037 0.155 0.000 0.631 1151 A CB -0.615 18.559 19.000 0.291 0.000 0.814 1151 A HN 0.365 nan 8.150 nan 0.000 0.446 1152 K N -0.403 119.827 120.400 -0.283 0.000 1.991 1152 K HA 0.003 4.322 4.320 -0.000 0.000 0.207 1152 K C 1.824 178.286 176.600 -0.230 0.000 1.045 1152 K CA 1.272 57.204 56.287 -0.592 0.000 0.937 1152 K CB -0.343 31.764 32.500 -0.655 0.000 0.720 1152 K HN 0.395 nan 8.250 nan 0.000 0.438 1153 I N 1.423 121.879 120.570 -0.189 0.000 2.181 1153 I HA -0.382 3.788 4.170 -0.000 0.000 0.247 1153 I C 2.387 178.497 176.117 -0.012 0.000 1.081 1153 I CA 1.572 62.808 61.300 -0.107 0.000 1.340 1153 I CB -0.348 37.566 38.000 -0.143 0.000 1.036 1153 I HN 0.355 nan 8.210 nan 0.000 0.417 1154 A N 0.201 123.038 122.820 0.030 0.000 1.933 1154 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 1154 A C 2.483 180.095 177.584 0.047 0.000 1.175 1154 A CA 1.853 53.921 52.037 0.053 0.000 0.628 1154 A CB -0.716 18.330 19.000 0.076 0.000 0.814 1154 A HN 0.469 nan 8.150 nan 0.000 0.444 1155 A N -0.249 122.616 122.820 0.076 0.000 1.874 1155 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 1155 A C 1.735 179.362 177.584 0.072 0.000 1.189 1155 A CA 1.641 53.744 52.037 0.111 0.000 0.615 1155 A CB -0.595 18.574 19.000 0.282 0.000 0.830 1155 A HN 0.378 nan 8.150 nan 0.000 0.443 1156 D N -0.563 119.860 120.400 0.038 0.000 2.228 1156 D HA -0.156 4.484 4.640 -0.000 0.000 0.203 1156 D C 1.847 178.165 176.300 0.031 0.000 0.988 1156 D CA 1.304 55.321 54.000 0.028 0.000 0.864 1156 D CB -0.212 40.577 40.800 -0.018 0.000 0.928 1156 D HN 0.501 nan 8.370 nan 0.000 0.469 1157 M N -0.649 118.964 119.600 0.023 0.000 2.248 1157 M HA 0.051 4.531 4.480 -0.000 0.000 0.265 1157 M C 1.592 177.902 176.300 0.016 0.000 1.079 1157 M CA 0.899 56.211 55.300 0.019 0.000 1.150 1157 M CB 0.302 32.912 32.600 0.017 0.000 1.366 1157 M HN -0.088 nan 8.290 nan 0.000 0.433 1158 A N -0.249 122.580 122.820 0.014 0.000 2.476 1158 A HA 0.109 4.429 4.320 -0.000 0.000 0.263 1158 A C 1.388 178.969 177.584 -0.006 0.000 1.342 1158 A CA -0.037 52.000 52.037 -0.001 0.000 0.926 1158 A CB -0.495 18.500 19.000 -0.008 0.000 1.019 1158 A HN 0.325 nan 8.150 nan 0.000 0.515 1159 K N 0.870 121.278 120.400 0.012 0.000 1.988 1159 K HA -0.170 4.150 4.320 -0.000 0.000 0.231 1159 K C -1.662 174.904 176.600 -0.058 0.000 1.044 1159 K CA 1.657 57.963 56.287 0.032 0.000 1.013 1159 K CB -1.275 31.285 32.500 0.099 0.000 0.736 1159 K HN 0.346 nan 8.250 nan 0.000 0.446 1160 P HA 0.077 nan 4.420 nan 0.000 0.279 1160 P C -1.190 176.017 177.300 -0.155 0.000 1.318 1160 P CA -0.026 62.842 63.100 -0.387 0.000 0.819 1160 P CB 0.377 31.659 31.700 -0.697 0.000 0.927 1161 N N 2.593 121.255 118.700 -0.063 0.000 2.498 1161 N HA -0.133 4.607 4.740 -0.000 0.000 0.297 1161 N C -0.245 175.248 175.510 -0.028 0.000 1.338 1161 N CA 1.655 54.690 53.050 -0.025 0.000 0.681 1161 N CB -0.991 37.492 38.487 -0.007 0.000 0.952 1161 N HN 0.718 nan 8.380 nan 0.000 0.524 1162 G N 1.133 109.918 108.800 -0.025 0.000 2.554 1162 G HA2 0.662 4.622 3.960 -0.000 0.000 0.306 1162 G HA3 0.662 4.622 3.960 -0.000 0.000 0.306 1162 G C -1.457 173.416 174.900 -0.046 0.000 1.320 1162 G CA -0.308 44.778 45.100 -0.024 0.000 0.800 1162 G HN 0.768 nan 8.290 nan 0.000 0.481 1163 I N -0.552 119.976 120.570 -0.071 0.000 2.775 1163 I HA 0.788 4.958 4.170 -0.000 0.000 0.295 1163 I C -1.533 174.448 176.117 -0.226 0.000 1.287 1163 I CA -0.815 60.376 61.300 -0.182 0.000 1.029 1163 I CB 2.222 40.054 38.000 -0.280 0.000 1.282 1163 I HN 0.641 nan 8.210 nan 0.000 0.426 1164 K N 5.442 125.689 120.400 -0.255 0.000 2.562 1164 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 1164 K C -2.193 174.318 176.600 -0.150 0.000 0.938 1164 K CA -0.637 55.551 56.287 -0.166 0.000 0.840 1164 K CB 2.561 35.028 32.500 -0.054 0.000 1.390 1164 K HN 0.395 nan 8.250 nan 0.000 0.428 1165 V N 4.433 124.295 119.914 -0.088 0.000 2.540 1165 V HA 0.470 4.590 4.120 -0.000 0.000 0.302 1165 V C -0.263 175.775 176.094 -0.094 0.000 1.035 1165 V CA -0.744 61.518 62.300 -0.062 0.000 0.873 1165 V CB 1.642 33.447 31.823 -0.030 0.000 0.992 1165 V HN 0.643 nan 8.190 nan 0.000 0.428 1166 I N 5.586 126.095 120.570 -0.102 0.000 2.361 1166 I HA 0.231 4.401 4.170 -0.000 0.000 0.282 1166 I C 0.378 176.329 176.117 -0.277 0.000 1.075 1166 I CA -0.585 60.636 61.300 -0.132 0.000 1.205 1166 I CB 0.766 38.746 38.000 -0.033 0.000 1.406 1166 I HN 0.756 nan 8.210 nan 0.000 0.481 1167 D N 3.790 123.959 120.400 -0.385 0.000 2.319 1167 D HA -0.124 4.516 4.640 -0.000 0.000 0.235 1167 D C 0.469 176.610 176.300 -0.264 0.000 1.304 1167 D CA 0.043 53.762 54.000 -0.469 0.000 0.894 1167 D CB 0.849 41.440 40.800 -0.347 0.000 1.183 1167 D HN 0.372 nan 8.370 nan 0.000 0.472 1168 D N -0.692 119.605 120.400 -0.172 0.000 2.264 1168 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 1168 D C 1.362 177.582 176.300 -0.134 0.000 0.966 1168 D CA 0.927 54.858 54.000 -0.115 0.000 0.864 1168 D CB 0.047 40.829 40.800 -0.029 0.000 0.933 1168 D HN 0.400 nan 8.370 nan 0.000 0.499 1169 E N 0.297 120.425 120.200 -0.119 0.000 2.340 1169 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 1169 E C 1.325 177.858 176.600 -0.110 0.000 0.996 1169 E CA 0.259 56.600 56.400 -0.099 0.000 0.869 1169 E CB 0.083 29.740 29.700 -0.071 0.000 0.835 1169 E HN 0.420 nan 8.360 nan 0.000 0.493 1170 E N 0.938 121.058 120.200 -0.133 0.000 2.474 1170 E HA 0.034 4.383 4.350 -0.000 0.000 0.195 1170 E C 1.407 177.901 176.600 -0.178 0.000 1.039 1170 E CA -0.066 56.261 56.400 -0.121 0.000 0.881 1170 E CB 0.577 30.217 29.700 -0.099 0.000 0.970 1170 E HN -0.046 nan 8.360 nan 0.000 0.486 1171 V N 1.137 120.880 119.914 -0.284 0.000 2.346 1171 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 1171 V C 1.971 177.880 176.094 -0.307 0.000 1.037 1171 V CA 1.254 63.246 62.300 -0.513 0.000 1.029 1171 V CB -0.072 31.357 31.823 -0.657 0.000 0.663 1171 V HN 0.108 nan 8.190 nan 0.000 0.454 1172 K N 0.447 120.727 120.400 -0.200 0.000 2.487 1172 K HA 0.015 4.335 4.320 -0.000 0.000 0.192 1172 K C 1.951 178.506 176.600 -0.075 0.000 1.027 1172 K CA 0.324 56.539 56.287 -0.120 0.000 1.054 1172 K CB 0.050 32.492 32.500 -0.097 0.000 0.824 1172 K HN 0.596 nan 8.250 nan 0.000 0.510 1173 R N -0.236 120.221 120.500 -0.072 0.000 2.142 1173 R HA 0.160 4.500 4.340 -0.000 0.000 0.204 1173 R C 2.064 178.352 176.300 -0.022 0.000 1.059 1173 R CA 0.008 56.083 56.100 -0.041 0.000 1.055 1173 R CB -0.584 29.693 30.300 -0.037 0.000 0.976 1173 R HN -0.063 nan 8.270 nan 0.000 0.483 1174 L N 1.308 122.521 121.223 -0.017 0.000 2.013 1174 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 1174 L C 2.562 179.462 176.870 0.051 0.000 1.073 1174 L CA 1.676 56.537 54.840 0.035 0.000 0.753 1174 L CB -0.453 41.666 42.059 0.100 0.000 0.890 1174 L HN 0.259 nan 8.230 nan 0.000 0.432 1175 I N -0.436 120.163 120.570 0.049 0.000 2.227 1175 I HA -0.401 3.769 4.170 -0.000 0.000 0.250 1175 I C 2.271 178.403 176.117 0.025 0.000 1.087 1175 I CA 1.565 62.897 61.300 0.054 0.000 1.352 1175 I CB -0.307 37.707 38.000 0.023 0.000 1.043 1175 I HN 0.299 nan 8.210 nan 0.000 0.425 1176 R N -0.040 120.465 120.500 0.010 0.000 2.334 1176 R HA 0.123 4.463 4.340 -0.000 0.000 0.216 1176 R C 0.460 176.763 176.300 0.005 0.000 0.905 1176 R CA 0.240 56.342 56.100 0.004 0.000 1.064 1176 R CB 0.275 30.573 30.300 -0.004 0.000 1.046 1176 R HN 0.361 nan 8.270 nan 0.000 0.508 1177 E N 0.921 121.127 120.200 0.010 0.000 3.306 1177 E HA 0.238 4.588 4.350 -0.000 0.000 0.197 1177 E C -1.259 175.349 176.600 0.014 0.000 0.980 1177 E CA -0.066 56.339 56.400 0.008 0.000 1.259 1177 E CB 1.034 30.737 29.700 0.004 0.000 1.112 1177 E HN 0.032 nan 8.360 nan 0.000 0.458 1178 L N 1.063 122.297 121.223 0.017 0.000 2.438 1178 L HA 0.418 4.758 4.340 -0.000 0.000 0.270 1178 L C -1.289 175.583 176.870 0.004 0.000 0.972 1178 L CA -0.880 53.970 54.840 0.017 0.000 0.831 1178 L CB 1.886 43.968 42.059 0.038 0.000 1.273 1178 L HN -0.035 nan 8.230 nan 0.000 0.405 1179 D N 2.958 123.356 120.400 -0.002 0.000 2.372 1179 D HA 0.118 4.758 4.640 -0.000 0.000 0.243 1179 D C 1.155 177.448 176.300 -0.012 0.000 1.121 1179 D CA -0.168 53.829 54.000 -0.006 0.000 0.898 1179 D CB 1.489 42.285 40.800 -0.006 0.000 1.202 1179 D HN 0.365 nan 8.370 nan 0.000 0.428 1180 I N 1.940 122.506 120.570 -0.008 0.000 2.248 1180 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 1180 I C 2.148 178.258 176.117 -0.012 0.000 1.107 1180 I CA 1.436 62.732 61.300 -0.007 0.000 1.373 1180 I CB -0.370 37.631 38.000 0.002 0.000 1.055 1180 I HN 0.579 nan 8.210 nan 0.000 0.418 1181 A N -0.394 122.419 122.820 -0.012 0.000 1.877 1181 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 1181 A C 1.866 179.436 177.584 -0.024 0.000 1.186 1181 A CA 2.081 54.109 52.037 -0.015 0.000 0.620 1181 A CB -0.720 18.273 19.000 -0.012 0.000 0.822 1181 A HN 0.391 nan 8.150 nan 0.000 0.443 1182 D N -0.416 119.968 120.400 -0.027 0.000 2.352 1182 D HA 0.142 4.782 4.640 -0.000 0.000 0.232 1182 D C -0.126 176.135 176.300 -0.065 0.000 1.055 1182 D CA 0.193 54.171 54.000 -0.037 0.000 0.891 1182 D CB -0.026 40.758 40.800 -0.026 0.000 0.897 1182 D HN 0.139 nan 8.370 nan 0.000 0.529 1183 V N 2.543 122.418 119.914 -0.065 0.000 2.385 1183 V HA 0.201 4.321 4.120 -0.000 0.000 0.269 1183 V C -1.953 174.100 176.094 -0.069 0.000 1.043 1183 V CA -1.621 60.623 62.300 -0.094 0.000 0.906 1183 V CB 1.235 33.017 31.823 -0.068 0.000 0.995 1183 V HN -0.084 nan 8.190 nan 0.000 0.467 1184 P HA 0.314 nan 4.420 nan 0.000 0.270 1184 P C 1.087 178.334 177.300 -0.089 0.000 1.223 1184 P CA 1.045 64.088 63.100 -0.095 0.000 0.785 1184 P CB 0.785 32.405 31.700 -0.133 0.000 0.923 1185 G N 0.808 109.528 108.800 -0.132 0.000 2.417 1185 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.233 1185 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.233 1185 G C 0.018 174.828 174.900 -0.150 0.000 1.103 1185 G CA -0.160 44.809 45.100 -0.217 0.000 0.647 1185 G HN 0.503 nan 8.290 nan 0.000 0.512 1186 I N 2.940 123.462 120.570 -0.080 0.000 2.304 1186 I HA 0.570 4.740 4.170 -0.000 0.000 0.291 1186 I C 1.363 177.458 176.117 -0.037 0.000 1.018 1186 I CA -0.063 61.214 61.300 -0.039 0.000 1.260 1186 I CB 0.180 38.186 38.000 0.009 0.000 1.390 1186 I HN 0.247 nan 8.210 nan 0.000 0.475 1187 G N 5.460 114.239 108.800 -0.035 0.000 2.582 1187 G HA2 0.172 4.132 3.960 -0.000 0.000 0.232 1187 G HA3 0.172 4.132 3.960 -0.000 0.000 0.232 1187 G C 0.681 175.569 174.900 -0.021 0.000 1.458 1187 G CA -0.336 44.746 45.100 -0.030 0.000 1.062 1187 G HN 0.642 nan 8.290 nan 0.000 0.566 1188 N N -0.976 117.713 118.700 -0.018 0.000 2.197 1188 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 1188 N C 2.385 177.889 175.510 -0.011 0.000 1.030 1188 N CA 0.567 53.610 53.050 -0.013 0.000 0.851 1188 N CB -0.013 38.467 38.487 -0.012 0.000 1.003 1188 N HN 0.246 nan 8.380 nan 0.000 0.430 1189 I N 1.166 121.729 120.570 -0.012 0.000 2.087 1189 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 1189 I C 1.757 177.868 176.117 -0.009 0.000 1.054 1189 I CA 1.369 62.663 61.300 -0.010 0.000 1.311 1189 I CB -0.511 37.481 38.000 -0.012 0.000 1.024 1189 I HN 0.039 nan 8.210 nan 0.000 0.402 1190 T N 0.057 114.605 114.554 -0.009 0.000 3.855 1190 T HA 0.590 4.940 4.350 -0.000 0.000 0.306 1190 T C 0.348 175.046 174.700 -0.002 0.000 1.575 1190 T CA 0.481 62.578 62.100 -0.005 0.000 1.214 1190 T CB -0.440 68.426 68.868 -0.005 0.000 1.262 1190 T HN 0.397 nan 8.240 nan 0.000 0.883 1191 A N 1.962 124.781 122.820 -0.003 0.000 2.604 1191 A HA 0.267 4.587 4.320 -0.000 0.000 0.157 1191 A C 1.691 179.274 177.584 -0.002 0.000 1.680 1191 A CA -0.222 51.814 52.037 -0.002 0.000 1.227 1191 A CB 0.155 19.152 19.000 -0.005 0.000 1.493 1191 A HN 0.465 nan 8.150 nan 0.000 0.453 1192 E N 1.367 121.565 120.200 -0.003 0.000 2.060 1192 E HA -0.033 4.317 4.350 -0.000 0.000 0.189 1192 E C 1.395 177.994 176.600 -0.002 0.000 0.974 1192 E CA 0.976 57.374 56.400 -0.003 0.000 0.808 1192 E CB -0.311 29.387 29.700 -0.003 0.000 0.768 1192 E HN 0.597 nan 8.360 nan 0.000 0.453 1193 K N 0.722 121.120 120.400 -0.003 0.000 2.044 1193 K HA -0.216 4.104 4.320 -0.000 0.000 0.224 1193 K C 2.310 178.909 176.600 -0.001 0.000 1.056 1193 K CA 1.844 58.129 56.287 -0.002 0.000 0.962 1193 K CB -0.525 31.973 32.500 -0.003 0.000 0.730 1193 K HN 0.097 nan 8.250 nan 0.000 0.453 1194 L N 0.695 121.919 121.223 0.002 0.000 2.056 1194 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 1194 L C 2.623 179.494 176.870 0.003 0.000 1.078 1194 L CA 1.152 55.994 54.840 0.004 0.000 0.749 1194 L CB -0.469 41.594 42.059 0.008 0.000 0.901 1194 L HN 0.259 nan 8.230 nan 0.000 0.433 1195 K N 0.943 121.343 120.400 0.001 0.000 2.286 1195 K HA -0.209 4.111 4.320 -0.000 0.000 0.203 1195 K C 1.875 178.475 176.600 0.000 0.000 1.045 1195 K CA 1.417 57.704 56.287 0.001 0.000 0.935 1195 K CB 0.094 32.594 32.500 -0.001 0.000 0.737 1195 K HN 0.285 nan 8.250 nan 0.000 0.460 1196 K N -0.139 120.261 120.400 -0.000 0.000 2.305 1196 K HA 0.054 4.374 4.320 -0.000 0.000 0.199 1196 K C 1.224 177.824 176.600 -0.000 0.000 1.047 1196 K CA 0.268 56.555 56.287 -0.001 0.000 0.976 1196 K CB 0.339 32.838 32.500 -0.002 0.000 0.765 1196 K HN 0.158 nan 8.250 nan 0.000 0.474 1197 L N -0.035 121.188 121.223 0.001 0.000 2.667 1197 L HA 0.157 4.497 4.340 -0.000 0.000 0.232 1197 L C 1.043 177.915 176.870 0.003 0.000 1.138 1197 L CA 0.670 55.511 54.840 0.001 0.000 0.921 1197 L CB -0.071 41.989 42.059 0.002 0.000 1.180 1197 L HN 0.460 nan 8.230 nan 0.000 0.487 1198 G N 0.982 109.784 108.800 0.003 0.000 2.253 1198 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 1198 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 1198 G C 0.464 175.367 174.900 0.005 0.000 0.998 1198 G CA -0.083 45.019 45.100 0.003 0.000 0.621 1198 G HN 0.323 nan 8.290 nan 0.000 0.524 1199 I N 2.772 123.346 120.570 0.006 0.000 2.406 1199 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 1199 I C 1.274 177.395 176.117 0.006 0.000 1.101 1199 I CA -0.031 61.274 61.300 0.008 0.000 1.334 1199 I CB 0.354 38.361 38.000 0.013 0.000 1.421 1199 I HN 0.306 nan 8.210 nan 0.000 0.513 1200 N N 5.893 124.596 118.700 0.005 0.000 2.742 1200 N HA 0.173 4.913 4.740 -0.000 0.000 0.233 1200 N C 0.045 175.556 175.510 0.002 0.000 1.033 1200 N CA -0.179 52.872 53.050 0.003 0.000 0.993 1200 N CB 0.515 39.002 38.487 0.002 0.000 1.544 1200 N HN 0.406 nan 8.380 nan 0.000 0.459 1201 K N 0.991 121.392 120.400 0.003 0.000 2.156 1201 K HA 0.380 4.700 4.320 -0.000 0.000 0.250 1201 K C 1.033 177.634 176.600 0.002 0.000 0.955 1201 K CA -0.496 55.792 56.287 0.002 0.000 0.855 1201 K CB 2.527 35.029 32.500 0.003 0.000 1.101 1201 K HN -0.062 nan 8.250 nan 0.000 0.434 1202 L N 1.234 122.457 121.223 -0.001 0.000 2.034 1202 L HA -0.301 4.039 4.340 -0.000 0.000 0.217 1202 L C 2.368 179.238 176.870 -0.001 0.000 1.077 1202 L CA 1.438 56.275 54.840 -0.006 0.000 0.769 1202 L CB -0.455 41.600 42.059 -0.007 0.000 0.890 1202 L HN 0.540 nan 8.230 nan 0.000 0.435 1203 V N 0.270 120.186 119.914 0.003 0.000 2.439 1203 V HA -0.350 3.770 4.120 -0.000 0.000 0.253 1203 V C 1.915 178.012 176.094 0.005 0.000 1.074 1203 V CA 2.427 64.729 62.300 0.003 0.000 1.076 1203 V CB -0.497 31.327 31.823 0.002 0.000 0.664 1203 V HN 0.556 nan 8.190 nan 0.000 0.461 1204 D N -0.244 120.160 120.400 0.006 0.000 2.310 1204 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 1204 D C 2.087 178.396 176.300 0.015 0.000 0.965 1204 D CA 1.676 55.682 54.000 0.010 0.000 0.879 1204 D CB -0.222 40.584 40.800 0.009 0.000 0.921 1204 D HN 0.732 nan 8.370 nan 0.000 0.510 1205 T N -1.095 113.468 114.554 0.016 0.000 3.055 1205 T HA 0.019 4.369 4.350 -0.000 0.000 0.265 1205 T C 1.954 176.670 174.700 0.027 0.000 1.111 1205 T CA 0.191 62.307 62.100 0.026 0.000 1.118 1205 T CB -0.240 68.642 68.868 0.023 0.000 0.909 1205 T HN 0.130 nan 8.240 nan 0.000 0.501 1206 L N 0.799 122.031 121.223 0.015 0.000 2.611 1206 L HA 0.357 4.697 4.340 -0.000 0.000 0.229 1206 L C 2.391 179.270 176.870 0.015 0.000 1.137 1206 L CA 0.200 55.047 54.840 0.012 0.000 0.901 1206 L CB 0.025 42.086 42.059 0.003 0.000 1.098 1206 L HN 0.309 nan 8.230 nan 0.000 0.456 1207 S N -0.763 114.948 115.700 0.019 0.000 2.520 1207 S HA 0.234 4.704 4.470 -0.000 0.000 0.219 1207 S C 0.551 175.165 174.600 0.023 0.000 1.028 1207 S CA -0.325 57.885 58.200 0.017 0.000 0.921 1207 S CB 0.818 64.026 63.200 0.013 0.000 0.844 1207 S HN 0.160 nan 8.310 nan 0.000 0.495 1208 I N 2.004 122.593 120.570 0.031 0.000 2.693 1208 I HA 0.469 4.639 4.170 -0.000 0.000 0.303 1208 I C -0.641 175.510 176.117 0.057 0.000 1.025 1208 I CA -0.676 60.646 61.300 0.036 0.000 1.086 1208 I CB 2.067 40.086 38.000 0.031 0.000 1.268 1208 I HN 0.181 nan 8.210 nan 0.000 0.440 1209 E N 4.355 124.588 120.200 0.056 0.000 2.398 1209 E HA -0.059 4.291 4.350 -0.000 0.000 0.263 1209 E C 0.192 176.873 176.600 0.135 0.000 1.046 1209 E CA -0.020 56.431 56.400 0.084 0.000 0.908 1209 E CB 0.940 30.672 29.700 0.052 0.000 0.963 1209 E HN 0.518 nan 8.360 nan 0.000 0.431 1210 F N 3.465 123.418 119.950 0.005 0.000 2.069 1210 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 1210 F C 1.439 177.243 175.800 0.006 0.000 1.113 1210 F CA 2.042 60.047 58.000 0.007 0.000 1.214 1210 F CB -0.211 38.793 39.000 0.007 0.000 0.978 1210 F HN 0.449 nan 8.300 nan 0.000 0.474 1211 D N 0.334 120.623 120.400 -0.185 0.000 2.123 1211 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 1211 D C 2.259 178.436 176.300 -0.205 0.000 0.992 1211 D CA 1.512 55.321 54.000 -0.318 0.000 0.833 1211 D CB -0.330 40.384 40.800 -0.144 0.000 0.954 1211 D HN 0.369 nan 8.370 nan 0.000 0.455 1212 K N -0.286 120.058 120.400 -0.093 0.000 2.243 1212 K HA -0.013 4.307 4.320 -0.000 0.000 0.201 1212 K C 1.897 178.471 176.600 -0.044 0.000 1.051 1212 K CA -0.068 56.184 56.287 -0.058 0.000 0.970 1212 K CB 0.043 32.529 32.500 -0.023 0.000 0.755 1212 K HN 0.043 nan 8.250 nan 0.000 0.465 1213 L N 2.554 123.764 121.223 -0.022 0.000 1.988 1213 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 1213 L C 2.073 178.929 176.870 -0.023 0.000 1.071 1213 L CA 1.957 56.804 54.840 0.011 0.000 0.744 1213 L CB -0.641 41.468 42.059 0.084 0.000 0.893 1213 L HN 0.061 nan 8.230 nan 0.000 0.433 1214 K N -0.954 119.388 120.400 -0.096 0.000 2.442 1214 K HA -0.069 4.251 4.320 -0.000 0.000 0.199 1214 K C 1.837 178.362 176.600 -0.126 0.000 1.044 1214 K CA 1.199 57.399 56.287 -0.145 0.000 0.941 1214 K CB -1.007 31.265 32.500 -0.380 0.000 0.759 1214 K HN 0.384 nan 8.250 nan 0.000 0.472 1215 G N 1.480 110.211 108.800 -0.115 0.000 2.491 1215 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 1215 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 1215 G C 1.461 176.331 174.900 -0.049 0.000 1.180 1215 G CA 1.113 46.166 45.100 -0.078 0.000 0.774 1215 G HN 0.304 nan 8.290 nan 0.000 0.562 1216 M N -0.075 119.506 119.600 -0.033 0.000 2.516 1216 M HA 0.319 4.799 4.480 -0.000 0.000 0.259 1216 M C 1.731 178.024 176.300 -0.011 0.000 1.146 1216 M CA 0.475 55.764 55.300 -0.019 0.000 1.122 1216 M CB 0.503 33.097 32.600 -0.011 0.000 1.341 1216 M HN 0.434 nan 8.290 nan 0.000 0.478 1217 I N -2.952 117.615 120.570 -0.005 0.000 3.817 1217 I HA 0.533 4.703 4.170 -0.000 0.000 0.325 1217 I C 0.306 176.431 176.117 0.013 0.000 1.550 1217 I CA -0.472 60.832 61.300 0.008 0.000 1.100 1217 I CB 0.057 38.072 38.000 0.024 0.000 1.216 1217 I HN 0.204 nan 8.210 nan 0.000 0.481 1218 G N 2.137 110.936 108.800 -0.001 0.000 2.755 1218 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.686 1218 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.686 1218 G C 0.136 175.057 174.900 0.034 0.000 1.427 1218 G CA 0.317 45.419 45.100 0.004 0.000 0.873 1218 G HN 0.632 nan 8.290 nan 0.000 0.580 1219 E N 0.446 120.670 120.200 0.039 0.000 2.047 1219 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 1219 E C 2.712 179.420 176.600 0.180 0.000 0.987 1219 E CA 1.964 58.431 56.400 0.111 0.000 0.799 1219 E CB -0.209 29.546 29.700 0.091 0.000 0.752 1219 E HN 1.142 nan 8.360 nan 0.000 0.449 1220 A N 0.283 123.172 122.820 0.114 0.000 2.132 1220 A HA 0.029 4.349 4.320 -0.000 0.000 0.213 1220 A C 1.868 179.532 177.584 0.133 0.000 1.154 1220 A CA 0.476 52.581 52.037 0.113 0.000 0.753 1220 A CB -0.043 18.993 19.000 0.060 0.000 0.826 1220 A HN 0.081 nan 8.150 nan 0.000 0.469 1221 K N -0.198 120.267 120.400 0.108 0.000 2.167 1221 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 1221 K C 2.270 178.999 176.600 0.214 0.000 1.052 1221 K CA 0.837 57.208 56.287 0.140 0.000 0.956 1221 K CB -0.155 32.384 32.500 0.064 0.000 0.735 1221 K HN 0.413 nan 8.250 nan 0.000 0.451 1222 A N 2.178 125.113 122.820 0.190 0.000 1.855 1222 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 1222 A C 1.917 179.627 177.584 0.211 0.000 1.191 1222 A CA 1.424 53.593 52.037 0.220 0.000 0.613 1222 A CB -0.242 18.934 19.000 0.294 0.000 0.829 1222 A HN 0.131 nan 8.150 nan 0.000 0.442 1223 K N -1.458 119.067 120.400 0.209 0.000 2.002 1223 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 1223 K C 2.022 178.685 176.600 0.105 0.000 1.048 1223 K CA 1.753 58.087 56.287 0.078 0.000 0.930 1223 K CB -0.626 31.908 32.500 0.055 0.000 0.714 1223 K HN 0.608 nan 8.250 nan 0.000 0.438 1224 Y N 2.266 122.601 120.300 0.059 0.000 2.040 1224 Y HA -0.298 4.252 4.550 -0.000 0.000 0.275 1224 Y C 2.064 178.003 175.900 0.065 0.000 1.171 1224 Y CA 1.591 59.742 58.100 0.085 0.000 1.123 1224 Y CB -0.601 37.903 38.460 0.073 0.000 0.963 1224 Y HN -0.049 nan 8.280 nan 0.000 0.493 1225 L N -0.180 121.061 121.223 0.031 0.000 1.989 1225 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 1225 L C 2.555 179.359 176.870 -0.111 0.000 1.071 1225 L CA 1.952 56.727 54.840 -0.107 0.000 0.749 1225 L CB -0.593 41.499 42.059 0.056 0.000 0.890 1225 L HN 0.321 nan 8.230 nan 0.000 0.431 1226 I N -0.561 119.993 120.570 -0.026 0.000 2.454 1226 I HA -0.275 3.895 4.170 -0.000 0.000 0.254 1226 I C 2.645 178.731 176.117 -0.051 0.000 1.156 1226 I CA 1.407 62.689 61.300 -0.029 0.000 1.433 1226 I CB -0.226 37.763 38.000 -0.019 0.000 1.082 1226 I HN 0.369 nan 8.210 nan 0.000 0.432 1227 S N 0.617 116.284 115.700 -0.056 0.000 2.395 1227 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 1227 S C 1.937 176.530 174.600 -0.013 0.000 1.027 1227 S CA 0.412 58.597 58.200 -0.026 0.000 0.965 1227 S CB -0.593 62.612 63.200 0.008 0.000 0.812 1227 S HN 0.307 nan 8.310 nan 0.000 0.482 1228 L N 2.116 123.272 121.223 -0.113 0.000 2.093 1228 L HA 0.275 4.615 4.340 -0.000 0.000 0.208 1228 L C 2.658 179.500 176.870 -0.047 0.000 1.085 1228 L CA 1.447 56.196 54.840 -0.151 0.000 0.755 1228 L CB -1.126 40.627 42.059 -0.509 0.000 0.904 1228 L HN 0.396 nan 8.230 nan 0.000 0.435 1229 A N 0.099 122.884 122.820 -0.058 0.000 2.067 1229 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 1229 A C 1.833 179.414 177.584 -0.005 0.000 1.158 1229 A CA 1.377 53.403 52.037 -0.019 0.000 0.661 1229 A CB -0.520 18.466 19.000 -0.024 0.000 0.801 1229 A HN 0.627 nan 8.150 nan 0.000 0.452 1230 R N -1.631 118.865 120.500 -0.007 0.000 2.652 1230 R HA 0.354 4.694 4.340 -0.000 0.000 0.372 1230 R C 0.089 176.391 176.300 0.002 0.000 1.104 1230 R CA 0.398 56.495 56.100 -0.006 0.000 1.072 1230 R CB -0.282 30.009 30.300 -0.014 0.000 1.367 1230 R HN 0.102 nan 8.270 nan 0.000 0.577 1231 D N 0.773 121.185 120.400 0.020 0.000 2.978 1231 D HA -0.191 4.449 4.640 -0.000 0.000 0.205 1231 D C 0.704 177.036 176.300 0.053 0.000 1.093 1231 D CA 1.469 55.488 54.000 0.031 0.000 1.006 1231 D CB -0.586 40.212 40.800 -0.005 0.000 1.116 1231 D HN 0.461 nan 8.370 nan 0.000 0.419 1232 E N -0.830 119.398 120.200 0.046 0.000 2.418 1232 E HA -0.085 4.265 4.350 -0.000 0.000 0.197 1232 E C 0.370 177.002 176.600 0.054 0.000 1.026 1232 E CA 0.167 56.585 56.400 0.030 0.000 0.862 1232 E CB -0.091 29.609 29.700 -0.001 0.000 0.799 1232 E HN 0.583 nan 8.360 nan 0.000 0.518 1233 Y N 1.947 122.234 120.300 -0.022 0.000 2.569 1233 Y HA 0.007 4.557 4.550 -0.000 0.000 0.332 1233 Y C 0.336 176.241 175.900 0.008 0.000 1.120 1233 Y CA 0.517 58.608 58.100 -0.015 0.000 1.416 1233 Y CB 0.271 38.717 38.460 -0.023 0.000 1.210 1233 Y HN -0.176 nan 8.280 nan 0.000 0.528 1234 N N 5.168 123.742 118.700 -0.210 0.000 2.976 1234 N HA 0.009 4.749 4.740 -0.000 0.000 0.220 1234 N C -1.815 173.525 175.510 -0.284 0.000 1.428 1234 N CA -0.342 52.624 53.050 -0.141 0.000 0.748 1234 N CB 0.479 38.961 38.487 -0.009 0.000 1.484 1234 N HN 0.599 nan 8.380 nan 0.000 0.578 1235 E N 2.195 122.097 120.200 -0.497 0.000 2.289 1235 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 1235 E C -2.026 174.484 176.600 -0.150 0.000 1.032 1235 E CA -1.601 54.608 56.400 -0.318 0.000 0.854 1235 E CB 1.003 30.487 29.700 -0.360 0.000 1.046 1235 E HN 0.425 nan 8.360 nan 0.000 0.409 1236 P HA 0.274 nan 4.420 nan 0.000 0.282 1236 P C -0.228 177.043 177.300 -0.047 0.000 1.249 1236 P CA -0.621 62.445 63.100 -0.056 0.000 0.806 1236 P CB 0.714 32.389 31.700 -0.042 0.000 0.984 1237 I N 3.334 123.889 120.570 -0.025 0.000 2.576 1237 I HA 0.072 4.242 4.170 -0.000 0.000 0.288 1237 I C 1.117 177.245 176.117 0.018 0.000 1.126 1237 I CA 0.778 62.075 61.300 -0.005 0.000 1.362 1237 I CB -0.724 37.306 38.000 0.050 0.000 1.419 1237 I HN 0.370 nan 8.210 nan 0.000 0.533 1238 R N 3.015 123.525 120.500 0.017 0.000 2.584 1238 R HA 0.677 5.017 4.340 -0.000 0.000 0.276 1238 R C -0.565 175.760 176.300 0.041 0.000 1.046 1238 R CA -0.850 55.266 56.100 0.026 0.000 0.906 1238 R CB 0.382 30.687 30.300 0.009 0.000 1.215 1238 R HN 0.411 nan 8.270 nan 0.000 0.449 1239 T N 0.403 114.986 114.554 0.048 0.000 2.748 1239 T HA 0.318 4.668 4.350 -0.000 0.000 0.304 1239 T C 0.024 174.753 174.700 0.049 0.000 1.041 1239 T CA -0.826 61.307 62.100 0.056 0.000 1.033 1239 T CB 0.417 69.317 68.868 0.053 0.000 0.995 1239 T HN 0.518 nan 8.240 nan 0.000 0.536 1240 R N 0.623 121.155 120.500 0.054 0.000 2.294 1240 R HA 0.471 4.811 4.340 -0.000 0.000 0.319 1240 R C -0.377 175.958 176.300 0.058 0.000 0.984 1240 R CA -0.819 55.311 56.100 0.050 0.000 0.861 1240 R CB 1.450 31.782 30.300 0.053 0.000 1.104 1240 R HN 0.618 nan 8.270 nan 0.000 0.451 1241 V N 0.867 120.814 119.914 0.055 0.000 2.125 1241 V HA 0.227 4.347 4.120 -0.000 0.000 0.263 1241 V C 0.499 176.648 176.094 0.091 0.000 1.365 1241 V CA -1.057 61.288 62.300 0.076 0.000 1.276 1241 V CB -0.258 31.602 31.823 0.062 0.000 1.350 1241 V HN 0.694 nan 8.190 nan 0.000 0.487 1242 R N 2.789 123.360 120.500 0.117 0.000 2.489 1242 R HA -0.092 4.248 4.340 -0.000 0.000 0.287 1242 R C 0.682 177.115 176.300 0.222 0.000 0.902 1242 R CA 1.286 57.478 56.100 0.154 0.000 1.136 1242 R CB 0.200 30.604 30.300 0.173 0.000 0.872 1242 R HN 0.716 nan 8.270 nan 0.000 0.421 1243 K N 1.928 122.373 120.400 0.076 0.000 2.353 1243 K HA 0.100 4.420 4.320 -0.000 0.000 0.195 1243 K C -0.392 176.038 176.600 -0.284 0.000 1.031 1243 K CA 0.599 56.765 56.287 -0.201 0.000 1.079 1243 K CB 0.561 32.955 32.500 -0.177 0.000 0.857 1243 K HN 0.777 nan 8.250 nan 0.000 0.535 1244 S N 0.229 116.047 115.700 0.197 0.000 2.535 1244 S HA 0.505 4.975 4.470 -0.000 0.000 0.272 1244 S C -1.030 173.779 174.600 0.347 0.000 1.149 1244 S CA -1.075 57.316 58.200 0.319 0.000 0.888 1244 S CB 1.564 64.826 63.200 0.103 0.000 1.110 1244 S HN -0.097 nan 8.310 nan 0.000 0.463 1245 I N 1.738 122.517 120.570 0.348 0.000 2.569 1245 I HA 0.904 5.074 4.170 -0.000 0.000 0.296 1245 I C 0.704 176.869 176.117 0.081 0.000 1.028 1245 I CA -0.187 61.220 61.300 0.179 0.000 1.082 1245 I CB 1.326 39.410 38.000 0.141 0.000 1.264 1245 I HN 1.158 nan 8.210 nan 0.000 0.429 1246 G N 4.645 113.460 108.800 0.025 0.000 2.559 1246 G HA2 0.681 4.641 3.960 -0.000 0.000 0.291 1246 G HA3 0.681 4.641 3.960 -0.000 0.000 0.291 1246 G C -1.718 173.170 174.900 -0.021 0.000 1.424 1246 G CA -0.808 44.255 45.100 -0.062 0.000 0.786 1246 G HN 0.583 nan 8.290 nan 0.000 0.485 1247 R N -0.448 120.026 120.500 -0.044 0.000 2.566 1247 R HA 0.594 4.934 4.340 -0.000 0.000 0.271 1247 R C -1.194 175.099 176.300 -0.012 0.000 1.071 1247 R CA -0.677 55.421 56.100 -0.002 0.000 0.915 1247 R CB 1.489 31.809 30.300 0.033 0.000 1.228 1247 R HN 0.742 nan 8.270 nan 0.000 0.449 1248 I N 1.568 122.140 120.570 0.002 0.000 2.863 1248 I HA 0.795 4.965 4.170 -0.000 0.000 0.311 1248 I C -0.548 175.582 176.117 0.022 0.000 1.026 1248 I CA -1.119 60.182 61.300 0.002 0.000 1.077 1248 I CB 1.991 39.986 38.000 -0.008 0.000 1.262 1248 I HN 0.341 nan 8.210 nan 0.000 0.461 1249 V N -1.010 118.920 119.914 0.027 0.000 2.891 1249 V HA 0.633 4.753 4.120 -0.000 0.000 0.304 1249 V C -0.266 175.849 176.094 0.035 0.000 1.171 1249 V CA -0.436 61.895 62.300 0.053 0.000 0.943 1249 V CB 0.946 32.829 31.823 0.100 0.000 1.037 1249 V HN 0.949 nan 8.190 nan 0.000 0.427 1250 T N 4.942 119.512 114.554 0.027 0.000 2.898 1250 T HA 0.516 4.866 4.350 -0.000 0.000 0.301 1250 T C 0.066 174.756 174.700 -0.017 0.000 1.049 1250 T CA -0.106 61.982 62.100 -0.019 0.000 1.095 1250 T CB 0.756 69.602 68.868 -0.036 0.000 0.976 1250 T HN 0.763 nan 8.240 nan 0.000 0.539 1251 M N 2.545 122.058 119.600 -0.145 0.000 2.080 1251 M HA 0.249 4.729 4.480 -0.000 0.000 0.350 1251 M C 1.431 177.656 176.300 -0.125 0.000 1.143 1251 M CA -0.533 54.587 55.300 -0.299 0.000 1.064 1251 M CB 1.084 33.337 32.600 -0.578 0.000 1.429 1251 M HN 0.763 nan 8.290 nan 0.000 0.418 1252 K N 2.941 123.360 120.400 0.032 0.000 2.324 1252 K HA -0.269 4.051 4.320 -0.000 0.000 0.215 1252 K C -0.125 176.464 176.600 -0.017 0.000 0.924 1252 K CA 2.021 58.330 56.287 0.037 0.000 0.953 1252 K CB 0.205 32.812 32.500 0.178 0.000 1.058 1252 K HN 0.627 nan 8.250 nan 0.000 0.504 1253 R N 0.247 120.729 120.500 -0.031 0.000 2.673 1253 R HA 0.280 4.620 4.340 -0.000 0.000 0.281 1253 R C -1.076 175.157 176.300 -0.111 0.000 0.991 1253 R CA -0.994 55.081 56.100 -0.042 0.000 0.896 1253 R CB 1.596 31.898 30.300 0.003 0.000 1.201 1253 R HN 0.209 nan 8.270 nan 0.000 0.457 1254 N N 0.427 119.073 118.700 -0.090 0.000 2.434 1254 N HA 0.421 5.161 4.740 -0.000 0.000 0.266 1254 N C -0.533 174.927 175.510 -0.084 0.000 1.223 1254 N CA -0.465 52.519 53.050 -0.110 0.000 0.972 1254 N CB 1.339 39.778 38.487 -0.080 0.000 1.207 1254 N HN 0.700 nan 8.380 nan 0.000 0.525 1255 S N -1.266 114.382 115.700 -0.088 0.000 2.595 1255 S HA 0.460 4.930 4.470 -0.000 0.000 0.270 1255 S C -1.003 173.564 174.600 -0.056 0.000 1.145 1255 S CA -1.069 57.093 58.200 -0.063 0.000 0.825 1255 S CB 1.749 64.909 63.200 -0.067 0.000 1.107 1255 S HN 0.472 nan 8.310 nan 0.000 0.461 1256 R N 1.110 121.588 120.500 -0.038 0.000 3.220 1256 R HA 0.410 4.750 4.340 -0.000 0.000 0.324 1256 R C -0.821 175.465 176.300 -0.024 0.000 1.283 1256 R CA -0.356 55.725 56.100 -0.031 0.000 1.387 1256 R CB -0.020 30.267 30.300 -0.021 0.000 1.413 1256 R HN 0.585 nan 8.270 nan 0.000 0.610 1257 N N 1.558 120.239 118.700 -0.031 0.000 2.653 1257 N HA 0.057 4.797 4.740 -0.000 0.000 0.261 1257 N C 0.499 175.994 175.510 -0.025 0.000 1.216 1257 N CA -0.263 52.775 53.050 -0.020 0.000 0.784 1257 N CB 0.892 39.371 38.487 -0.014 0.000 1.327 1257 N HN 0.267 nan 8.380 nan 0.000 0.539 1258 L N 1.912 123.122 121.223 -0.022 0.000 2.017 1258 L HA -0.147 4.193 4.340 -0.000 0.000 0.234 1258 L C 0.711 177.565 176.870 -0.026 0.000 1.097 1258 L CA 1.743 56.567 54.840 -0.026 0.000 0.816 1258 L CB -0.036 42.020 42.059 -0.005 0.000 0.914 1258 L HN 0.472 nan 8.230 nan 0.000 0.444 1259 E N 0.532 120.733 120.200 0.001 0.000 3.187 1259 E HA -0.142 4.208 4.350 -0.000 0.000 0.297 1259 E C 0.577 177.190 176.600 0.023 0.000 1.515 1259 E CA 0.714 57.125 56.400 0.018 0.000 1.641 1259 E CB -0.153 29.567 29.700 0.035 0.000 1.314 1259 E HN 0.618 nan 8.360 nan 0.000 0.462 1260 E N -0.629 119.579 120.200 0.014 0.000 2.145 1260 E HA 0.002 4.352 4.350 -0.000 0.000 0.199 1260 E C 1.252 177.915 176.600 0.105 0.000 1.006 1260 E CA 0.036 56.474 56.400 0.063 0.000 1.418 1260 E CB -0.021 29.700 29.700 0.034 0.000 3.464 1260 E HN 0.185 nan 8.360 nan 0.000 1.000 1261 I N 1.536 122.099 120.570 -0.012 0.000 2.584 1261 I HA -0.055 4.115 4.170 -0.000 0.000 0.255 1261 I C 2.189 178.292 176.117 -0.022 0.000 1.145 1261 I CA 0.582 61.844 61.300 -0.062 0.000 1.462 1261 I CB -0.006 37.913 38.000 -0.135 0.000 1.102 1261 I HN -0.017 nan 8.210 nan 0.000 0.433 1262 K N 0.971 121.244 120.400 -0.211 0.000 2.015 1262 K HA -0.219 4.100 4.320 -0.000 0.000 0.220 1262 K C -0.619 175.610 176.600 -0.618 0.000 1.055 1262 K CA 2.126 57.995 56.287 -0.696 0.000 0.951 1262 K CB -1.465 30.595 32.500 -0.734 0.000 0.725 1262 K HN 0.261 nan 8.250 nan 0.000 0.449 1263 P HA -0.121 nan 4.420 nan 0.000 0.226 1263 P C 0.650 177.892 177.300 -0.097 0.000 1.153 1263 P CA 1.230 64.298 63.100 -0.053 0.000 0.777 1263 P CB -0.056 31.603 31.700 -0.068 0.000 0.794 1264 Y N -0.450 119.790 120.300 -0.101 0.000 2.130 1264 Y HA -0.099 4.451 4.550 -0.000 0.000 0.287 1264 Y C 2.362 178.214 175.900 -0.081 0.000 1.124 1264 Y CA 0.557 58.615 58.100 -0.070 0.000 1.118 1264 Y CB -1.351 37.062 38.460 -0.079 0.000 0.994 1264 Y HN -0.152 nan 8.280 nan 0.000 0.497 1265 L N -0.845 120.388 121.223 0.016 0.000 2.079 1265 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 1265 L C 1.749 178.610 176.870 -0.015 0.000 1.081 1265 L CA 1.712 56.512 54.840 -0.066 0.000 0.752 1265 L CB -0.808 41.144 42.059 -0.179 0.000 0.896 1265 L HN 0.069 nan 8.230 nan 0.000 0.433 1266 F N -0.050 119.838 119.950 -0.104 0.000 2.325 1266 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 1266 F C 2.688 178.411 175.800 -0.127 0.000 1.090 1266 F CA 0.991 58.831 58.000 -0.266 0.000 1.392 1266 F CB -1.005 37.947 39.000 -0.080 0.000 1.053 1266 F HN 0.150 nan 8.300 nan 0.000 0.521 1267 R N 0.463 121.046 120.500 0.138 0.000 2.082 1267 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 1267 R C 2.455 178.817 176.300 0.103 0.000 1.136 1267 R CA 1.624 57.784 56.100 0.099 0.000 0.935 1267 R CB -0.574 29.759 30.300 0.055 0.000 0.842 1267 R HN 0.190 nan 8.270 nan 0.000 0.430 1268 A N 1.098 123.970 122.820 0.086 0.000 1.873 1268 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 1268 A C 2.193 179.872 177.584 0.159 0.000 1.193 1268 A CA 1.916 54.006 52.037 0.089 0.000 0.629 1268 A CB -0.777 18.242 19.000 0.031 0.000 0.826 1268 A HN 0.407 nan 8.150 nan 0.000 0.447 1269 I N -0.289 120.375 120.570 0.157 0.000 2.113 1269 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 1269 I C 2.625 178.954 176.117 0.353 0.000 1.064 1269 I CA 1.850 63.341 61.300 0.317 0.000 1.320 1269 I CB -0.372 37.630 38.000 0.004 0.000 1.028 1269 I HN 0.358 nan 8.210 nan 0.000 0.406 1270 E N 0.472 120.809 120.200 0.227 0.000 2.031 1270 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 1270 E C 2.098 178.870 176.600 0.286 0.000 0.994 1270 E CA 1.065 57.605 56.400 0.233 0.000 0.800 1270 E CB -0.416 29.377 29.700 0.154 0.000 0.752 1270 E HN 0.494 nan 8.360 nan 0.000 0.447 1271 E N 0.784 121.128 120.200 0.240 0.000 2.130 1271 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 1271 E C 2.152 178.936 176.600 0.308 0.000 0.998 1271 E CA 1.093 57.651 56.400 0.264 0.000 0.806 1271 E CB -0.143 29.665 29.700 0.179 0.000 0.738 1271 E HN 0.108 nan 8.360 nan 0.000 0.459 1272 S N -0.042 115.864 115.700 0.345 0.000 2.377 1272 S HA -0.062 4.408 4.470 -0.000 0.000 0.223 1272 S C 1.894 176.752 174.600 0.429 0.000 1.030 1272 S CA 0.546 58.973 58.200 0.379 0.000 0.970 1272 S CB -0.360 63.113 63.200 0.454 0.000 0.830 1272 S HN 0.324 nan 8.310 nan 0.000 0.473 1273 Y N 0.085 120.575 120.300 0.317 0.000 2.439 1273 Y HA -0.046 4.504 4.550 -0.000 0.000 0.292 1273 Y C 2.092 178.117 175.900 0.208 0.000 1.130 1273 Y CA 0.841 59.062 58.100 0.201 0.000 1.254 1273 Y CB -0.227 38.321 38.460 0.147 0.000 1.000 1273 Y HN 0.344 nan 8.280 nan 0.000 0.554 1274 Y N 1.729 122.156 120.300 0.212 0.000 2.200 1274 Y HA -0.261 4.289 4.550 -0.000 0.000 0.290 1274 Y C 1.834 177.776 175.900 0.070 0.000 1.137 1274 Y CA 1.346 59.517 58.100 0.119 0.000 1.163 1274 Y CB 0.116 38.640 38.460 0.107 0.000 0.988 1274 Y HN 0.099 nan 8.280 nan 0.000 0.518 1275 K N -0.631 119.802 120.400 0.055 0.000 2.410 1275 K HA 0.171 4.491 4.320 -0.000 0.000 0.200 1275 K C 0.800 177.360 176.600 -0.065 0.000 1.023 1275 K CA 0.245 56.483 56.287 -0.082 0.000 1.149 1275 K CB 0.158 32.626 32.500 -0.054 0.000 0.859 1275 K HN 0.341 nan 8.250 nan 0.000 0.514 1276 L N 0.722 121.905 121.223 -0.066 0.000 2.357 1276 L HA 0.073 4.413 4.340 -0.000 0.000 0.211 1276 L C 0.078 176.854 176.870 -0.157 0.000 1.075 1276 L CA -0.133 54.602 54.840 -0.176 0.000 0.830 1276 L CB -0.147 41.731 42.059 -0.302 0.000 0.996 1276 L HN 0.264 nan 8.230 nan 0.000 0.467 1277 D N 1.852 122.203 120.400 -0.081 0.000 8.133 1277 D HA -0.246 4.394 4.640 -0.000 0.000 0.154 1277 D C 0.693 176.951 176.300 -0.070 0.000 1.258 1277 D CA 1.025 54.998 54.000 -0.045 0.000 0.886 1277 D CB -0.092 40.697 40.800 -0.018 0.000 1.696 1277 D HN 0.284 nan 8.370 nan 0.000 0.965 1278 K N 0.068 120.419 120.400 -0.082 0.000 3.114 1278 K HA -0.169 4.151 4.320 -0.000 0.000 0.348 1278 K C 0.079 176.610 176.600 -0.116 0.000 0.663 1278 K CA 0.273 56.515 56.287 -0.075 0.000 1.509 1278 K CB -0.759 31.710 32.500 -0.051 0.000 1.062 1278 K HN 0.354 nan 8.250 nan 0.000 0.524 1279 R N 1.715 122.101 120.500 -0.190 0.000 2.288 1279 R HA 0.311 4.651 4.340 -0.000 0.000 0.330 1279 R C -0.128 175.981 176.300 -0.318 0.000 1.069 1279 R CA 0.163 56.089 56.100 -0.290 0.000 0.941 1279 R CB 0.124 30.125 30.300 -0.499 0.000 0.998 1279 R HN 0.158 nan 8.270 nan 0.000 0.452 1280 I N 6.397 126.856 120.570 -0.186 0.000 2.328 1280 I HA 0.238 4.408 4.170 -0.000 0.000 0.287 1280 I C -1.839 174.268 176.117 -0.016 0.000 1.012 1280 I CA -2.294 58.921 61.300 -0.141 0.000 1.195 1280 I CB 1.692 39.658 38.000 -0.056 0.000 1.350 1280 I HN 0.280 nan 8.210 nan 0.000 0.464 1281 P HA 0.248 nan 4.420 nan 0.000 0.277 1281 P C -0.593 176.821 177.300 0.190 0.000 1.240 1281 P CA -0.461 62.785 63.100 0.243 0.000 0.798 1281 P CB 1.569 33.404 31.700 0.224 0.000 0.979 1282 K N 0.315 120.854 120.400 0.231 0.000 2.391 1282 K HA 0.400 4.720 4.320 -0.000 0.000 0.197 1282 K C 0.433 177.165 176.600 0.220 0.000 1.087 1282 K CA 0.033 56.434 56.287 0.191 0.000 1.012 1282 K CB 0.844 33.425 32.500 0.134 0.000 0.925 1282 K HN 0.471 nan 8.250 nan 0.000 0.547 1283 A N 1.815 124.753 122.820 0.198 0.000 2.353 1283 A HA 0.539 4.859 4.320 -0.000 0.000 0.299 1283 A C -1.234 176.449 177.584 0.165 0.000 1.089 1283 A CA -0.628 51.471 52.037 0.104 0.000 0.736 1283 A CB 0.750 19.786 19.000 0.059 0.000 1.195 1283 A HN 0.219 nan 8.150 nan 0.000 0.447 1284 I N 2.347 122.953 120.570 0.060 0.000 2.607 1284 I HA 0.594 4.764 4.170 -0.000 0.000 0.305 1284 I C -0.858 175.115 176.117 -0.239 0.000 0.995 1284 I CA -0.532 60.881 61.300 0.187 0.000 1.148 1284 I CB 1.213 39.423 38.000 0.351 0.000 1.323 1284 I HN 0.710 nan 8.210 nan 0.000 0.461 1285 H N 5.357 124.502 119.070 0.125 0.000 2.865 1285 H HA 0.387 4.943 4.556 -0.000 0.000 0.362 1285 H C -1.266 174.075 175.328 0.021 0.000 1.114 1285 H CA -0.571 55.507 56.048 0.049 0.000 1.208 1285 H CB 2.148 31.919 29.762 0.015 0.000 1.727 1285 H HN 0.251 nan 8.280 nan 0.000 0.534 1286 V N 3.279 123.263 119.914 0.116 0.000 2.532 1286 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 1286 V C 0.147 176.267 176.094 0.043 0.000 1.041 1286 V CA -0.666 61.670 62.300 0.060 0.000 0.926 1286 V CB 2.004 33.856 31.823 0.049 0.000 0.992 1286 V HN 0.430 nan 8.190 nan 0.000 0.457 1287 V N 2.446 122.366 119.914 0.010 0.000 2.864 1287 V HA 0.927 5.047 4.120 -0.000 0.000 0.314 1287 V C -0.083 175.999 176.094 -0.020 0.000 1.073 1287 V CA -0.607 61.691 62.300 -0.004 0.000 0.956 1287 V CB 1.971 33.786 31.823 -0.014 0.000 1.023 1287 V HN 1.036 nan 8.190 nan 0.000 0.435 1288 A N 2.750 125.555 122.820 -0.024 0.000 2.402 1288 A HA 0.772 5.092 4.320 -0.000 0.000 0.291 1288 A C -1.272 176.292 177.584 -0.035 0.000 1.051 1288 A CA -0.465 51.550 52.037 -0.037 0.000 0.716 1288 A CB 1.816 20.793 19.000 -0.039 0.000 1.223 1288 A HN 0.644 nan 8.150 nan 0.000 0.425 1289 V N 3.816 123.705 119.914 -0.041 0.000 2.311 1289 V HA 0.384 4.504 4.120 -0.000 0.000 0.275 1289 V C 0.763 176.832 176.094 -0.041 0.000 1.022 1289 V CA 0.103 62.382 62.300 -0.036 0.000 0.830 1289 V CB 1.288 33.091 31.823 -0.033 0.000 1.012 1289 V HN 1.073 nan 8.190 nan 0.000 0.452 1290 T N 1.597 116.130 114.554 -0.034 0.000 2.900 1290 T HA 0.122 4.472 4.350 -0.000 0.000 0.307 1290 T C 1.418 176.099 174.700 -0.032 0.000 1.065 1290 T CA 0.153 62.232 62.100 -0.035 0.000 1.105 1290 T CB 0.748 69.600 68.868 -0.027 0.000 0.979 1290 T HN 0.854 nan 8.240 nan 0.000 0.544 1291 E N 1.784 121.963 120.200 -0.034 0.000 2.172 1291 E HA -0.427 3.923 4.350 -0.000 0.000 0.213 1291 E C 1.194 177.783 176.600 -0.018 0.000 1.051 1291 E CA 2.395 58.778 56.400 -0.028 0.000 0.860 1291 E CB -0.866 28.821 29.700 -0.023 0.000 0.755 1291 E HN 0.888 nan 8.360 nan 0.000 0.462 1292 D N 0.446 120.837 120.400 -0.015 0.000 2.088 1292 D HA -0.127 4.513 4.640 -0.000 0.000 0.191 1292 D C 1.971 178.265 176.300 -0.010 0.000 0.992 1292 D CA 1.947 55.941 54.000 -0.010 0.000 0.831 1292 D CB -0.140 40.654 40.800 -0.010 0.000 0.973 1292 D HN 0.428 nan 8.370 nan 0.000 0.447 1293 L N -2.590 118.624 121.223 -0.014 0.000 2.403 1293 L HA -0.015 4.325 4.340 -0.000 0.000 0.511 1293 L C -0.680 176.180 176.870 -0.016 0.000 0.779 1293 L CA -0.162 54.670 54.840 -0.014 0.000 2.104 1293 L CB -0.320 41.734 42.059 -0.009 0.000 1.514 1293 L HN -0.056 nan 8.230 nan 0.000 0.459 1294 D N 1.318 121.708 120.400 -0.016 0.000 2.423 1294 D HA 0.333 4.973 4.640 -0.000 0.000 0.238 1294 D C -0.259 176.030 176.300 -0.019 0.000 1.142 1294 D CA 0.637 54.627 54.000 -0.017 0.000 0.884 1294 D CB 0.937 41.728 40.800 -0.015 0.000 1.199 1294 D HN 0.210 nan 8.370 nan 0.000 0.438 1295 I N 2.408 122.966 120.570 -0.019 0.000 2.646 1295 I HA 0.500 4.670 4.170 -0.000 0.000 0.299 1295 I C -1.090 175.016 176.117 -0.019 0.000 1.036 1295 I CA -0.708 60.580 61.300 -0.021 0.000 1.074 1295 I CB 1.681 39.667 38.000 -0.023 0.000 1.258 1295 I HN 0.189 nan 8.210 nan 0.000 0.430 1296 V N 4.375 124.279 119.914 -0.017 0.000 3.147 1296 V HA 0.712 4.832 4.120 -0.000 0.000 0.306 1296 V C -0.854 175.237 176.094 -0.004 0.000 1.209 1296 V CA -0.554 61.739 62.300 -0.011 0.000 1.023 1296 V CB 2.075 33.891 31.823 -0.010 0.000 1.059 1296 V HN 0.797 nan 8.190 nan 0.000 0.435 1297 S N 2.909 118.613 115.700 0.007 0.000 2.547 1297 S HA 0.834 5.304 4.470 -0.000 0.000 0.270 1297 S C -1.757 172.874 174.600 0.051 0.000 1.150 1297 S CA -0.998 57.219 58.200 0.030 0.000 0.850 1297 S CB 2.696 65.914 63.200 0.030 0.000 1.118 1297 S HN 0.667 nan 8.310 nan 0.000 0.461 1298 R N 0.912 121.456 120.500 0.072 0.000 2.574 1298 R HA 0.723 5.063 4.340 -0.000 0.000 0.288 1298 R C -0.032 176.314 176.300 0.077 0.000 1.004 1298 R CA -0.392 55.748 56.100 0.066 0.000 0.895 1298 R CB 1.695 32.014 30.300 0.030 0.000 1.191 1298 R HN 1.001 nan 8.270 nan 0.000 0.444 1299 G N 0.753 109.581 108.800 0.047 0.000 2.714 1299 G HA2 0.768 4.728 3.960 -0.000 0.000 0.292 1299 G HA3 0.768 4.728 3.960 -0.000 0.000 0.292 1299 G C -1.256 173.491 174.900 -0.256 0.000 1.308 1299 G CA -0.629 44.347 45.100 -0.207 0.000 0.964 1299 G HN 0.436 nan 8.290 nan 0.000 0.484 1300 R N -0.701 119.548 120.500 -0.418 0.000 2.561 1300 R HA 0.537 4.877 4.340 -0.000 0.000 0.266 1300 R C -1.350 174.647 176.300 -0.505 0.000 1.091 1300 R CA -0.451 55.404 56.100 -0.408 0.000 0.927 1300 R CB 1.553 31.595 30.300 -0.431 0.000 1.240 1300 R HN 0.570 nan 8.270 nan 0.000 0.449 1301 T N 3.633 117.914 114.554 -0.454 0.000 2.902 1301 T HA 0.567 4.917 4.350 -0.000 0.000 0.283 1301 T C -0.892 173.479 174.700 -0.549 0.000 1.009 1301 T CA -0.161 61.728 62.100 -0.352 0.000 1.051 1301 T CB 0.605 69.376 68.868 -0.160 0.000 0.999 1301 T HN 0.308 nan 8.240 nan 0.000 0.474 1302 F N 1.869 121.738 119.950 -0.136 0.000 2.561 1302 F HA 0.422 4.949 4.527 0.000 0.000 0.321 1302 F C -1.714 173.947 175.800 -0.231 0.000 1.065 1302 F CA -2.548 55.294 58.000 -0.264 0.000 0.934 1302 F CB 2.005 40.689 39.000 -0.526 0.000 1.215 1302 F HN 0.352 nan 8.300 nan 0.000 0.471 1303 P HA 0.058 nan 4.420 nan 0.000 0.253 1303 P C -1.084 176.299 177.300 0.137 0.000 1.508 1303 P CA 0.626 63.771 63.100 0.075 0.000 0.883 1303 P CB -0.389 31.386 31.700 0.124 0.000 1.519 1304 H N -4.034 115.124 119.070 0.146 0.000 2.987 1304 H HA 0.442 4.998 4.556 -0.000 0.000 0.316 1304 H C -0.399 174.971 175.328 0.070 0.000 1.380 1304 H CA -1.038 55.056 56.048 0.076 0.000 1.160 1304 H CB 0.405 30.181 29.762 0.024 0.000 1.865 1304 H HN -0.052 nan 8.280 nan 0.000 0.521 1305 G N 0.418 109.328 108.800 0.182 0.000 2.664 1305 G HA2 0.393 4.353 3.960 -0.000 0.000 0.242 1305 G HA3 0.393 4.353 3.960 -0.000 0.000 0.242 1305 G C -0.181 174.766 174.900 0.078 0.000 1.225 1305 G CA -0.604 44.563 45.100 0.110 0.000 0.849 1305 G HN 0.519 nan 8.290 nan 0.000 0.581 1306 I N 0.891 121.480 120.570 0.032 0.000 2.378 1306 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 1306 I C 0.833 176.988 176.117 0.063 0.000 0.992 1306 I CA -0.608 60.684 61.300 -0.014 0.000 1.154 1306 I CB 1.876 39.881 38.000 0.008 0.000 1.315 1306 I HN 0.624 nan 8.210 nan 0.000 0.448 1307 S N 5.365 121.077 115.700 0.020 0.000 2.641 1307 S HA 0.221 4.691 4.470 -0.000 0.000 0.261 1307 S C 0.995 175.570 174.600 -0.042 0.000 1.257 1307 S CA -0.304 57.925 58.200 0.048 0.000 0.983 1307 S CB 1.511 64.696 63.200 -0.026 0.000 0.990 1307 S HN 0.757 nan 8.310 nan 0.000 0.572 1308 K N 0.375 120.666 120.400 -0.181 0.000 2.021 1308 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 1308 K C 1.949 178.407 176.600 -0.236 0.000 1.047 1308 K CA 1.425 57.373 56.287 -0.566 0.000 0.943 1308 K CB -0.435 31.799 32.500 -0.442 0.000 0.725 1308 K HN 0.714 nan 8.250 nan 0.000 0.439 1309 E N 0.057 120.139 120.200 -0.196 0.000 2.085 1309 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 1309 E C 1.932 178.497 176.600 -0.059 0.000 0.994 1309 E CA 2.070 58.353 56.400 -0.194 0.000 0.801 1309 E CB -0.445 29.142 29.700 -0.188 0.000 0.743 1309 E HN 0.304 nan 8.360 nan 0.000 0.453 1310 T N 0.642 115.162 114.554 -0.056 0.000 2.708 1310 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 1310 T C 1.994 176.722 174.700 0.048 0.000 1.037 1310 T CA 1.366 63.451 62.100 -0.024 0.000 1.146 1310 T CB -0.496 68.320 68.868 -0.087 0.000 0.865 1310 T HN 0.315 nan 8.240 nan 0.000 0.435 1311 A N 0.560 123.398 122.820 0.029 0.000 1.892 1311 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 1311 A C 1.981 179.675 177.584 0.184 0.000 1.188 1311 A CA 1.678 53.780 52.037 0.108 0.000 0.631 1311 A CB -1.224 17.751 19.000 -0.042 0.000 0.822 1311 A HN 0.590 nan 8.150 nan 0.000 0.447 1312 Y N 0.674 120.967 120.300 -0.012 0.000 2.006 1312 Y HA -0.299 4.251 4.550 -0.000 0.000 0.266 1312 Y C 3.268 179.230 175.900 0.103 0.000 1.133 1312 Y CA 2.344 60.448 58.100 0.006 0.000 1.098 1312 Y CB -0.497 37.808 38.460 -0.258 0.000 0.969 1312 Y HN 0.478 nan 8.280 nan 0.000 0.482 1313 S N -0.344 115.485 115.700 0.215 0.000 2.465 1313 S HA -0.232 4.238 4.470 -0.000 0.000 0.241 1313 S C 1.690 176.391 174.600 0.169 0.000 1.000 1313 S CA 1.695 59.993 58.200 0.163 0.000 0.964 1313 S CB -0.299 62.958 63.200 0.095 0.000 0.763 1313 S HN 0.473 nan 8.310 nan 0.000 0.512 1314 E N 1.325 121.637 120.200 0.187 0.000 2.400 1314 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 1314 E C 2.018 178.730 176.600 0.185 0.000 1.012 1314 E CA 0.862 57.384 56.400 0.204 0.000 0.875 1314 E CB -0.096 29.769 29.700 0.275 0.000 0.859 1314 E HN 0.727 nan 8.360 nan 0.000 0.498 1315 S N -1.246 114.572 115.700 0.196 0.000 2.421 1315 S HA -0.037 4.433 4.470 -0.000 0.000 0.224 1315 S C 2.010 176.686 174.600 0.127 0.000 1.035 1315 S CA 0.741 59.039 58.200 0.164 0.000 0.953 1315 S CB -0.437 62.868 63.200 0.176 0.000 0.810 1315 S HN 0.076 nan 8.310 nan 0.000 0.497 1316 V N 2.726 122.739 119.914 0.166 0.000 2.392 1316 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 1316 V C 2.578 178.727 176.094 0.092 0.000 1.059 1316 V CA 2.129 64.507 62.300 0.131 0.000 1.051 1316 V CB -0.782 31.159 31.823 0.198 0.000 0.658 1316 V HN 0.530 nan 8.190 nan 0.000 0.455 1317 K N -0.325 120.135 120.400 0.100 0.000 2.155 1317 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 1317 K C 2.065 178.699 176.600 0.057 0.000 1.052 1317 K CA 0.972 57.304 56.287 0.075 0.000 0.948 1317 K CB -0.176 32.374 32.500 0.084 0.000 0.728 1317 K HN 0.376 nan 8.250 nan 0.000 0.448 1318 L N 0.546 121.806 121.223 0.063 0.000 2.072 1318 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 1318 L C 2.325 179.214 176.870 0.032 0.000 1.079 1318 L CA 0.382 55.249 54.840 0.044 0.000 0.752 1318 L CB -0.348 41.743 42.059 0.053 0.000 0.906 1318 L HN 0.127 nan 8.230 nan 0.000 0.436 1319 L N -0.109 121.133 121.223 0.031 0.000 2.017 1319 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 1319 L C 2.524 179.398 176.870 0.007 0.000 1.073 1319 L CA 1.810 56.655 54.840 0.008 0.000 0.745 1319 L CB -0.584 41.470 42.059 -0.009 0.000 0.894 1319 L HN 0.239 nan 8.230 nan 0.000 0.432 1320 Q N -0.593 119.218 119.800 0.019 0.000 2.061 1320 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 1320 Q C 2.328 178.336 176.000 0.014 0.000 0.984 1320 Q CA 2.099 57.913 55.803 0.017 0.000 0.846 1320 Q CB -0.230 28.525 28.738 0.029 0.000 0.902 1320 Q HN 0.467 nan 8.270 nan 0.000 0.421 1321 K N 0.302 120.713 120.400 0.018 0.000 2.074 1321 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 1321 K C 1.910 178.515 176.600 0.008 0.000 1.048 1321 K CA 1.158 57.453 56.287 0.013 0.000 0.926 1321 K CB 0.023 32.532 32.500 0.015 0.000 0.713 1321 K HN 0.157 nan 8.250 nan 0.000 0.444 1322 I N 0.809 121.383 120.570 0.006 0.000 2.252 1322 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 1322 I C 2.034 178.148 176.117 -0.006 0.000 1.102 1322 I CA 0.843 62.143 61.300 -0.001 0.000 1.385 1322 I CB -0.765 37.232 38.000 -0.005 0.000 1.064 1322 I HN 0.164 nan 8.210 nan 0.000 0.414 1323 L N 0.863 122.082 121.223 -0.007 0.000 1.937 1323 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 1323 L C 2.356 179.223 176.870 -0.004 0.000 1.077 1323 L CA 1.662 56.497 54.840 -0.009 0.000 0.758 1323 L CB -1.673 40.380 42.059 -0.010 0.000 0.888 1323 L HN 0.135 nan 8.230 nan 0.000 0.433 1324 E N -0.473 119.727 120.200 0.000 0.000 2.401 1324 E HA -0.233 4.117 4.350 -0.000 0.000 0.204 1324 E C 1.902 178.503 176.600 0.001 0.000 1.036 1324 E CA 1.295 57.697 56.400 0.002 0.000 0.856 1324 E CB -0.044 29.659 29.700 0.006 0.000 0.770 1324 E HN 0.530 nan 8.360 nan 0.000 0.527 1325 E N -1.067 119.133 120.200 -0.000 0.000 2.414 1325 E HA 0.044 4.394 4.350 -0.000 0.000 0.208 1325 E C -0.042 176.556 176.600 -0.003 0.000 0.820 1325 E CA -0.034 56.365 56.400 -0.001 0.000 1.143 1325 E CB 0.741 30.441 29.700 0.001 0.000 1.150 1325 E HN 0.006 nan 8.360 nan 0.000 0.540 1326 D N 1.033 121.430 120.400 -0.005 0.000 2.502 1326 D HA 0.026 4.666 4.640 -0.000 0.000 0.249 1326 D C -0.221 176.073 176.300 -0.010 0.000 1.092 1326 D CA -0.094 53.901 54.000 -0.008 0.000 0.839 1326 D CB 1.416 42.210 40.800 -0.010 0.000 1.264 1326 D HN 0.098 nan 8.370 nan 0.000 0.511 1327 E N 2.538 122.732 120.200 -0.010 0.000 2.419 1327 E HA 0.121 4.471 4.350 -0.000 0.000 0.190 1327 E C 0.048 176.640 176.600 -0.014 0.000 1.040 1327 E CA -0.538 55.856 56.400 -0.011 0.000 0.900 1327 E CB 0.475 30.170 29.700 -0.008 0.000 1.054 1327 E HN 0.120 nan 8.360 nan 0.000 0.462 1328 R N 1.742 122.232 120.500 -0.016 0.000 2.583 1328 R HA 0.339 4.679 4.340 -0.000 0.000 0.268 1328 R C 0.328 176.612 176.300 -0.026 0.000 1.101 1328 R CA -0.505 55.583 56.100 -0.019 0.000 1.180 1328 R CB 0.288 30.576 30.300 -0.020 0.000 1.128 1328 R HN 0.048 nan 8.270 nan 0.000 0.568 1329 K N 0.700 121.083 120.400 -0.029 0.000 2.149 1329 K HA 0.340 4.660 4.320 -0.000 0.000 0.245 1329 K C 0.074 176.644 176.600 -0.051 0.000 1.024 1329 K CA -0.114 56.149 56.287 -0.040 0.000 0.899 1329 K CB 0.439 32.916 32.500 -0.039 0.000 1.038 1329 K HN 0.370 nan 8.250 nan 0.000 0.496 1330 I N 1.719 122.246 120.570 -0.072 0.000 2.439 1330 I HA 0.196 4.366 4.170 -0.000 0.000 0.285 1330 I C 1.068 177.117 176.117 -0.115 0.000 1.021 1330 I CA -0.400 60.849 61.300 -0.084 0.000 1.091 1330 I CB 1.733 39.679 38.000 -0.089 0.000 1.242 1330 I HN 0.656 nan 8.210 nan 0.000 0.439 1331 R N 5.537 125.980 120.500 -0.096 0.000 2.048 1331 R HA 0.251 4.591 4.340 -0.000 0.000 0.221 1331 R C 0.399 176.624 176.300 -0.124 0.000 1.174 1331 R CA 0.565 56.601 56.100 -0.107 0.000 0.971 1331 R CB 0.394 30.651 30.300 -0.071 0.000 0.863 1331 R HN 0.471 nan 8.270 nan 0.000 0.439 1332 R N 0.935 121.382 120.500 -0.088 0.000 2.229 1332 R HA 0.299 4.639 4.340 -0.000 0.000 0.332 1332 R C -1.109 175.148 176.300 -0.071 0.000 0.989 1332 R CA -0.478 55.578 56.100 -0.074 0.000 0.842 1332 R CB 1.588 31.861 30.300 -0.044 0.000 1.119 1332 R HN 0.197 nan 8.270 nan 0.000 0.456 1333 I N 1.906 122.429 120.570 -0.078 0.000 2.404 1333 I HA 0.586 4.756 4.170 -0.000 0.000 0.293 1333 I C -0.040 176.060 176.117 -0.028 0.000 0.992 1333 I CA 0.042 61.305 61.300 -0.062 0.000 1.149 1333 I CB 1.696 39.642 38.000 -0.091 0.000 1.315 1333 I HN 0.680 nan 8.210 nan 0.000 0.446 1334 G N 5.083 113.866 108.800 -0.029 0.000 3.021 1334 G HA2 0.752 4.712 3.960 -0.000 0.000 0.290 1334 G HA3 0.752 4.712 3.960 -0.000 0.000 0.290 1334 G C -1.750 173.123 174.900 -0.045 0.000 1.291 1334 G CA -0.539 44.544 45.100 -0.029 0.000 0.834 1334 G HN 0.726 nan 8.290 nan 0.000 0.564 1335 V N -0.776 119.083 119.914 -0.092 0.000 3.108 1335 V HA 0.803 4.923 4.120 -0.000 0.000 0.287 1335 V C -1.664 174.239 176.094 -0.319 0.000 1.436 1335 V CA -0.820 61.380 62.300 -0.165 0.000 1.001 1335 V CB 2.329 34.046 31.823 -0.177 0.000 1.141 1335 V HN 1.126 nan 8.190 nan 0.000 0.443 1336 R N 4.000 124.315 120.500 -0.308 0.000 2.574 1336 R HA 0.734 5.074 4.340 -0.000 0.000 0.288 1336 R C -2.190 174.028 176.300 -0.137 0.000 1.004 1336 R CA -0.370 55.569 56.100 -0.269 0.000 0.895 1336 R CB 1.577 31.859 30.300 -0.031 0.000 1.191 1336 R HN 0.495 nan 8.270 nan 0.000 0.444 1337 F N 2.031 122.120 119.950 0.231 0.000 2.450 1337 F HA 0.667 5.194 4.527 -0.000 0.000 0.332 1337 F C 0.171 176.182 175.800 0.352 0.000 1.093 1337 F CA -0.547 57.615 58.000 0.269 0.000 1.003 1337 F CB 2.194 41.329 39.000 0.225 0.000 1.151 1337 F HN 0.692 nan 8.300 nan 0.000 0.474 1338 S N -0.230 115.767 115.700 0.495 0.000 2.688 1338 S HA 0.564 5.034 4.470 -0.000 0.000 0.275 1338 S C -1.263 173.299 174.600 -0.063 0.000 1.175 1338 S CA -1.577 56.691 58.200 0.113 0.000 0.818 1338 S CB 1.663 64.919 63.200 0.094 0.000 1.157 1338 S HN 0.549 nan 8.310 nan 0.000 0.482 1339 K N 0.659 120.828 120.400 -0.384 0.000 4.856 1339 K HA -0.143 4.177 4.320 -0.000 0.000 0.306 1339 K C -1.214 175.357 176.600 -0.048 0.000 0.895 1339 K CA 0.338 56.488 56.287 -0.229 0.000 0.963 1339 K CB -1.592 30.882 32.500 -0.043 0.000 1.737 1339 K HN 0.402 nan 8.250 nan 0.000 0.424 1340 F N 1.440 121.420 119.950 0.050 0.000 2.380 1340 F HA 0.376 4.903 4.527 0.000 0.000 0.325 1340 F C 1.712 177.531 175.800 0.031 0.000 1.136 1340 F CA -1.223 56.798 58.000 0.036 0.000 1.171 1340 F CB 0.259 39.275 39.000 0.027 0.000 1.230 1340 F HN 0.084 nan 8.300 nan 0.000 0.554 1341 I N 0.000 120.708 120.570 0.230 0.000 2.984 1341 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1341 I CA 0.000 61.378 61.300 0.131 0.000 1.566 1341 I CB 0.000 38.058 38.000 0.097 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494