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 1rxs_1_i DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPXXXX MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.595 174.600 -0.008 0.000 1.055 1004 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 1004 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 1005 D N 1.448 121.847 120.400 -0.001 0.000 2.333 1005 D HA 0.150 4.790 4.640 -0.000 0.000 0.208 1005 D C 0.968 177.281 176.300 0.021 0.000 0.984 1005 D CA 1.350 55.356 54.000 0.010 0.000 0.873 1005 D CB 0.477 41.284 40.800 0.011 0.000 0.935 1005 D HN 0.595 nan 8.370 nan 0.000 0.521 1006 V N -2.119 117.805 119.914 0.015 0.000 2.864 1006 V HA 0.383 4.503 4.120 -0.000 0.000 0.314 1006 V C 0.733 176.846 176.094 0.030 0.000 1.073 1006 V CA -1.011 61.311 62.300 0.037 0.000 0.956 1006 V CB 1.832 33.670 31.823 0.026 0.000 1.023 1006 V HN -0.152 nan 8.190 nan 0.000 0.435 1007 F N 1.553 121.433 119.950 -0.117 0.000 2.259 1007 F HA 0.091 4.618 4.527 0.000 0.000 0.298 1007 F C 1.803 177.383 175.800 -0.367 0.000 1.088 1007 F CA 2.277 60.126 58.000 -0.251 0.000 1.358 1007 F CB -0.087 38.723 39.000 -0.318 0.000 1.040 1007 F HN 0.841 nan 8.300 nan 0.000 0.505 1008 H N -1.330 117.626 119.070 -0.190 0.000 2.460 1008 H HA 0.232 4.788 4.556 -0.000 0.000 0.297 1008 H C 2.078 177.279 175.328 -0.211 0.000 1.023 1008 H CA 0.933 56.819 56.048 -0.270 0.000 1.321 1008 H CB -0.149 29.486 29.762 -0.212 0.000 1.455 1008 H HN 0.100 nan 8.280 nan 0.000 0.539 1009 L N 0.033 121.201 121.223 -0.093 0.000 2.376 1009 L HA 0.082 4.422 4.340 -0.000 0.000 0.219 1009 L C 0.979 177.901 176.870 0.088 0.000 1.133 1009 L CA 0.660 55.492 54.840 -0.013 0.000 0.816 1009 L CB -0.463 41.564 42.059 -0.053 0.000 0.933 1009 L HN 0.528 nan 8.230 nan 0.000 0.449 1010 G N 1.478 110.226 108.800 -0.086 0.000 2.338 1010 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.296 1010 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.296 1010 G C -0.239 174.687 174.900 0.044 0.000 1.040 1010 G CA 0.181 45.216 45.100 -0.109 0.000 1.004 1010 G HN 0.267 nan 8.290 nan 0.000 0.509 1011 L N -0.536 120.696 121.223 0.015 0.000 2.309 1011 L HA 0.903 5.243 4.340 -0.000 0.000 0.261 1011 L C 0.647 177.521 176.870 0.008 0.000 1.021 1011 L CA -0.632 54.221 54.840 0.022 0.000 0.823 1011 L CB 2.490 44.566 42.059 0.029 0.000 1.366 1011 L HN 0.391 nan 8.230 nan 0.000 0.423 1012 T N -3.378 111.180 114.554 0.007 0.000 2.924 1012 T HA 0.317 4.668 4.350 -0.000 0.000 0.291 1012 T C 0.492 175.195 174.700 0.005 0.000 1.045 1012 T CA -0.804 61.298 62.100 0.004 0.000 1.015 1012 T CB 2.174 71.042 68.868 0.001 0.000 1.103 1012 T HN 0.607 nan 8.240 nan 0.000 0.496 1013 K N 1.031 121.435 120.400 0.005 0.000 2.113 1013 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 1013 K C 2.128 178.728 176.600 0.001 0.000 1.047 1013 K CA 1.674 57.964 56.287 0.005 0.000 0.928 1013 K CB -0.245 32.258 32.500 0.005 0.000 0.716 1013 K HN 0.622 nan 8.250 nan 0.000 0.446 1014 N N 0.727 119.427 118.700 -0.001 0.000 2.104 1014 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 1014 N C 0.986 176.492 175.510 -0.006 0.000 1.024 1014 N CA 1.503 54.551 53.050 -0.004 0.000 0.853 1014 N CB -0.172 38.312 38.487 -0.005 0.000 1.008 1014 N HN 0.290 nan 8.380 nan 0.000 0.424 1015 D N 0.639 121.036 120.400 -0.006 0.000 2.221 1015 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 1015 D C 1.751 178.047 176.300 -0.007 0.000 0.982 1015 D CA 0.576 54.570 54.000 -0.010 0.000 0.857 1015 D CB -0.014 40.781 40.800 -0.008 0.000 0.934 1015 D HN 0.221 nan 8.370 nan 0.000 0.475 1016 L N 0.508 121.729 121.223 -0.003 0.000 2.418 1016 L HA 0.012 4.352 4.340 -0.000 0.000 0.218 1016 L C 0.754 177.621 176.870 -0.006 0.000 1.125 1016 L CA 0.565 55.404 54.840 -0.003 0.000 0.835 1016 L CB -0.282 41.775 42.059 -0.004 0.000 0.953 1016 L HN 0.016 nan 8.230 nan 0.000 0.454 1017 Q N -0.360 119.437 119.800 -0.006 0.000 2.435 1017 Q HA -0.295 4.045 4.340 -0.000 0.000 0.286 1017 Q C 1.131 177.126 176.000 -0.008 0.000 1.229 1017 Q CA 0.521 56.321 55.803 -0.006 0.000 0.884 1017 Q CB -2.495 26.240 28.738 -0.005 0.000 1.245 1017 Q HN 0.615 nan 8.270 nan 0.000 0.488 1018 G N -1.530 107.264 108.800 -0.009 0.000 2.159 1018 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 1018 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 1018 G C 0.348 175.236 174.900 -0.019 0.000 0.977 1018 G CA 0.322 45.415 45.100 -0.012 0.000 0.652 1018 G HN 1.237 nan 8.290 nan 0.000 0.531 1019 A N 0.079 122.886 122.820 -0.022 0.000 2.561 1019 A HA 0.579 4.899 4.320 -0.000 0.000 0.234 1019 A C 1.483 179.035 177.584 -0.054 0.000 1.055 1019 A CA 1.886 53.902 52.037 -0.035 0.000 0.756 1019 A CB 0.219 19.201 19.000 -0.031 0.000 0.986 1019 A HN 1.704 nan 8.150 nan 0.000 0.505 1020 T N -0.150 114.360 114.554 -0.074 0.000 3.087 1020 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 1020 T C 0.043 174.641 174.700 -0.169 0.000 0.956 1020 T CA 0.070 62.109 62.100 -0.103 0.000 0.894 1020 T CB -0.488 68.339 68.868 -0.068 0.000 1.160 1020 T HN 0.572 nan 8.240 nan 0.000 0.532 1021 L N 1.706 122.833 121.223 -0.159 0.000 2.365 1021 L HA 0.889 5.229 4.340 -0.000 0.000 0.273 1021 L C -1.371 175.380 176.870 -0.198 0.000 1.000 1021 L CA -0.952 53.769 54.840 -0.199 0.000 0.819 1021 L CB 1.849 43.838 42.059 -0.116 0.000 1.284 1021 L HN 0.230 nan 8.230 nan 0.000 0.418 1022 A N 5.592 128.249 122.820 -0.273 0.000 2.393 1022 A HA 0.696 5.016 4.320 -0.000 0.000 0.306 1022 A C -1.014 176.543 177.584 -0.044 0.000 1.050 1022 A CA -0.545 51.403 52.037 -0.148 0.000 0.724 1022 A CB 1.111 20.010 19.000 -0.168 0.000 1.248 1022 A HN 0.670 nan 8.150 nan 0.000 0.424 1023 I N 2.541 123.117 120.570 0.009 0.000 2.342 1023 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 1023 I C -0.131 176.033 176.117 0.079 0.000 1.010 1023 I CA -0.578 60.746 61.300 0.040 0.000 1.308 1023 I CB 1.692 39.703 38.000 0.019 0.000 1.400 1023 I HN 0.458 nan 8.210 nan 0.000 0.488 1024 V N 5.896 125.873 119.914 0.105 0.000 2.266 1024 V HA 0.519 4.639 4.120 -0.000 0.000 0.271 1024 V C -2.519 173.624 176.094 0.081 0.000 1.032 1024 V CA -1.898 60.474 62.300 0.121 0.000 0.806 1024 V CB 0.345 32.276 31.823 0.181 0.000 1.052 1024 V HN 0.458 nan 8.190 nan 0.000 0.449 1025 P HA 0.346 nan 4.420 nan 0.000 0.279 1025 P C 0.926 178.250 177.300 0.039 0.000 1.276 1025 P CA 0.172 63.294 63.100 0.037 0.000 0.801 1025 P CB 1.815 33.525 31.700 0.016 0.000 1.127 1026 G N -0.650 108.162 108.800 0.020 0.000 2.459 1026 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.213 1026 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.213 1026 G C 0.206 175.101 174.900 -0.008 0.000 1.155 1026 G CA 0.434 45.540 45.100 0.010 0.000 0.811 1026 G HN 0.514 nan 8.290 nan 0.000 0.534 1027 D N 0.253 120.645 120.400 -0.013 0.000 2.274 1027 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 1027 D C -1.191 175.099 176.300 -0.018 0.000 1.104 1027 D CA -2.548 51.435 54.000 -0.028 0.000 0.840 1027 D CB 2.235 43.015 40.800 -0.033 0.000 1.100 1027 D HN -0.058 nan 8.370 nan 0.000 0.477 1028 P HA -0.138 nan 4.420 nan 0.000 0.216 1028 P C 0.540 177.841 177.300 0.001 0.000 1.150 1028 P CA 0.969 64.073 63.100 0.006 0.000 0.843 1028 P CB 0.411 32.107 31.700 -0.007 0.000 0.787 1029 D N -0.985 119.403 120.400 -0.020 0.000 2.310 1029 D HA -0.097 4.543 4.640 -0.000 0.000 0.212 1029 D C 1.964 178.226 176.300 -0.062 0.000 0.965 1029 D CA 0.593 54.574 54.000 -0.032 0.000 0.879 1029 D CB -0.181 40.600 40.800 -0.031 0.000 0.921 1029 D HN 0.202 nan 8.370 nan 0.000 0.510 1030 R N 0.653 121.117 120.500 -0.060 0.000 2.276 1030 R HA 0.032 4.372 4.340 -0.000 0.000 0.196 1030 R C 1.940 178.169 176.300 -0.118 0.000 0.961 1030 R CA 0.034 56.087 56.100 -0.078 0.000 1.024 1030 R CB 0.299 30.570 30.300 -0.049 0.000 0.940 1030 R HN 0.004 nan 8.270 nan 0.000 0.480 1031 V N 1.019 120.863 119.914 -0.117 0.000 2.261 1031 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 1031 V C 2.331 178.176 176.094 -0.415 0.000 1.047 1031 V CA 2.134 64.342 62.300 -0.154 0.000 1.015 1031 V CB -0.442 31.369 31.823 -0.020 0.000 0.642 1031 V HN 0.421 nan 8.190 nan 0.000 0.446 1032 E N 0.290 120.102 120.200 -0.648 0.000 2.085 1032 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 1032 E C 2.226 178.435 176.600 -0.652 0.000 0.994 1032 E CA 1.637 57.353 56.400 -1.140 0.000 0.801 1032 E CB -0.075 29.066 29.700 -0.932 0.000 0.743 1032 E HN 0.573 nan 8.360 nan 0.000 0.453 1033 K N 0.216 120.397 120.400 -0.365 0.000 2.063 1033 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 1033 K C 2.151 178.635 176.600 -0.194 0.000 1.048 1033 K CA 1.738 57.888 56.287 -0.228 0.000 0.928 1033 K CB -0.157 32.256 32.500 -0.145 0.000 0.713 1033 K HN 0.221 nan 8.250 nan 0.000 0.442 1034 I N 0.591 121.051 120.570 -0.185 0.000 2.202 1034 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 1034 I C 2.418 178.458 176.117 -0.129 0.000 1.091 1034 I CA 1.151 62.376 61.300 -0.125 0.000 1.368 1034 I CB -0.351 37.596 38.000 -0.087 0.000 1.058 1034 I HN 0.159 nan 8.210 nan 0.000 0.410 1035 A N 0.713 123.415 122.820 -0.196 0.000 1.940 1035 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 1035 A C 2.458 179.982 177.584 -0.100 0.000 1.176 1035 A CA 1.837 53.801 52.037 -0.122 0.000 0.631 1035 A CB -0.844 18.071 19.000 -0.142 0.000 0.814 1035 A HN 0.445 nan 8.150 nan 0.000 0.446 1036 A N -1.130 121.580 122.820 -0.183 0.000 2.121 1036 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 1036 A C 1.665 179.212 177.584 -0.062 0.000 1.154 1036 A CA 1.145 53.112 52.037 -0.116 0.000 0.679 1036 A CB -0.325 18.580 19.000 -0.158 0.000 0.795 1036 A HN 0.362 nan 8.150 nan 0.000 0.458 1037 L N -1.072 120.114 121.223 -0.062 0.000 2.552 1037 L HA 0.205 4.545 4.340 -0.000 0.000 0.227 1037 L C 1.061 177.919 176.870 -0.021 0.000 1.146 1037 L CA 0.965 55.782 54.840 -0.038 0.000 0.858 1037 L CB -0.945 41.090 42.059 -0.040 0.000 0.969 1037 L HN 0.419 nan 8.230 nan 0.000 0.451 1038 M N -1.787 117.805 119.600 -0.012 0.000 2.849 1038 M HA 0.292 4.772 4.480 -0.000 0.000 0.299 1038 M C -0.392 175.919 176.300 0.018 0.000 1.223 1038 M CA -0.888 54.414 55.300 0.003 0.000 0.856 1038 M CB 1.121 33.727 32.600 0.009 0.000 1.680 1038 M HN -0.187 nan 8.290 nan 0.000 0.506 1039 D N 1.042 121.455 120.400 0.022 0.000 2.283 1039 D HA 0.182 4.822 4.640 -0.000 0.000 0.248 1039 D C -0.493 175.835 176.300 0.047 0.000 1.072 1039 D CA -0.086 53.931 54.000 0.029 0.000 0.929 1039 D CB 0.751 41.563 40.800 0.019 0.000 1.182 1039 D HN 0.456 nan 8.370 nan 0.000 0.433 1040 K N -0.392 120.039 120.400 0.051 0.000 3.278 1040 K HA -0.137 4.183 4.320 -0.000 0.000 0.270 1040 K C -2.341 174.320 176.600 0.102 0.000 0.955 1040 K CA 0.083 56.407 56.287 0.062 0.000 0.723 1040 K CB -1.362 31.162 32.500 0.039 0.000 1.382 1040 K HN 0.360 nan 8.250 nan 0.000 0.461 1041 P HA 0.138 nan 4.420 nan 0.000 0.276 1041 P C -0.391 177.109 177.300 0.334 0.000 1.235 1041 P CA -0.107 63.184 63.100 0.317 0.000 0.772 1041 P CB 1.307 33.210 31.700 0.339 0.000 0.871 1042 V N 4.052 124.086 119.914 0.201 0.000 2.623 1042 V HA 0.258 4.378 4.120 -0.000 0.000 0.304 1042 V C 0.366 176.030 176.094 -0.717 0.000 1.054 1042 V CA -0.947 61.222 62.300 -0.218 0.000 0.882 1042 V CB 2.051 33.801 31.823 -0.122 0.000 1.002 1042 V HN 0.484 nan 8.190 nan 0.000 0.424 1043 K N 3.789 123.311 120.400 -1.463 0.000 2.416 1043 K HA 0.353 4.673 4.320 -0.000 0.000 0.283 1043 K C 0.320 176.523 176.600 -0.663 0.000 1.037 1043 K CA -0.060 55.252 56.287 -1.624 0.000 0.995 1043 K CB 0.670 32.335 32.500 -1.392 0.000 0.938 1043 K HN 0.660 nan 8.250 nan 0.000 0.475 1044 L N 2.732 123.693 121.223 -0.437 0.000 2.185 1044 L HA 0.301 4.641 4.340 -0.000 0.000 0.198 1044 L C 0.587 177.376 176.870 -0.135 0.000 1.079 1044 L CA 0.401 55.124 54.840 -0.196 0.000 0.780 1044 L CB 0.131 42.140 42.059 -0.083 0.000 0.955 1044 L HN 0.809 nan 8.230 nan 0.000 0.462 1045 A N -1.363 121.394 122.820 -0.104 0.000 2.599 1045 A HA 0.632 4.952 4.320 -0.000 0.000 0.290 1045 A C -1.172 176.358 177.584 -0.089 0.000 1.101 1045 A CA -0.286 51.709 52.037 -0.070 0.000 0.674 1045 A CB 1.813 20.865 19.000 0.086 0.000 1.277 1045 A HN -0.124 nan 8.150 nan 0.000 0.419 1046 S N 0.447 115.972 115.700 -0.292 0.000 2.680 1046 S HA 0.616 5.086 4.470 -0.000 0.000 0.262 1046 S C -1.789 172.500 174.600 -0.519 0.000 1.138 1046 S CA -0.475 57.587 58.200 -0.229 0.000 1.072 1046 S CB 0.235 63.352 63.200 -0.139 0.000 1.097 1046 S HN 0.714 nan 8.310 nan 0.000 0.468 1047 H N 3.359 122.494 119.070 0.108 0.000 2.856 1047 H HA 0.515 5.071 4.556 0.000 0.000 0.355 1047 H C 0.528 175.925 175.328 0.116 0.000 1.079 1047 H CA -0.563 55.547 56.048 0.102 0.000 1.240 1047 H CB 1.540 31.366 29.762 0.106 0.000 1.701 1047 H HN 0.736 nan 8.280 nan 0.000 0.527 1048 R N 0.522 121.102 120.500 0.132 0.000 3.750 1048 R HA -0.243 4.097 4.340 -0.000 0.000 0.495 1048 R C 1.156 177.360 176.300 -0.160 0.000 0.241 1048 R CA 1.954 58.045 56.100 -0.015 0.000 1.551 1048 R CB -0.729 29.567 30.300 -0.006 0.000 0.956 1048 R HN 0.774 nan 8.270 nan 0.000 0.584 1049 E N 1.926 121.849 120.200 -0.460 0.000 2.476 1049 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 1049 E C -0.148 176.185 176.600 -0.446 0.000 1.064 1049 E CA 0.601 56.720 56.400 -0.467 0.000 0.866 1049 E CB 0.100 29.482 29.700 -0.531 0.000 0.952 1049 E HN 0.362 nan 8.360 nan 0.000 0.492 1050 F N 1.697 121.684 119.950 0.061 0.000 2.335 1050 F HA 0.311 4.838 4.527 -0.000 0.000 0.365 1050 F C 0.304 176.154 175.800 0.083 0.000 1.122 1050 F CA -0.630 57.417 58.000 0.078 0.000 1.151 1050 F CB 1.472 40.532 39.000 0.100 0.000 1.282 1050 F HN -0.319 nan 8.300 nan 0.000 0.513 1051 T N 2.028 116.719 114.554 0.229 0.000 2.794 1051 T HA 0.459 4.809 4.350 -0.000 0.000 0.280 1051 T C -0.183 174.668 174.700 0.253 0.000 0.987 1051 T CA -0.515 61.707 62.100 0.204 0.000 0.993 1051 T CB 1.290 70.268 68.868 0.183 0.000 0.939 1051 T HN 0.418 nan 8.240 nan 0.000 0.449 1052 T N 3.507 118.201 114.554 0.234 0.000 2.840 1052 T HA 0.463 4.813 4.350 -0.000 0.000 0.287 1052 T C -1.136 173.706 174.700 0.238 0.000 0.991 1052 T CA -0.612 61.622 62.100 0.223 0.000 0.964 1052 T CB 0.626 69.577 68.868 0.138 0.000 0.954 1052 T HN 0.435 nan 8.240 nan 0.000 0.438 1053 W N 1.979 123.295 121.300 0.027 0.000 2.639 1053 W HA 0.665 5.325 4.660 -0.000 0.000 0.347 1053 W C 0.333 176.859 176.519 0.011 0.000 1.067 1053 W CA -1.120 56.234 57.345 0.015 0.000 1.218 1053 W CB 1.154 30.620 29.460 0.010 0.000 1.393 1053 W HN 0.374 nan 8.180 nan 0.000 0.557 1054 R N 1.588 122.201 120.500 0.189 0.000 2.589 1054 R HA 0.862 5.202 4.340 -0.000 0.000 0.293 1054 R C -0.602 175.789 176.300 0.152 0.000 0.963 1054 R CA -0.301 55.872 56.100 0.121 0.000 0.905 1054 R CB 1.420 31.747 30.300 0.045 0.000 1.144 1054 R HN 0.663 nan 8.270 nan 0.000 0.459 1055 A N 2.583 125.468 122.820 0.109 0.000 2.566 1055 A HA 0.541 4.861 4.320 -0.000 0.000 0.291 1055 A C -1.519 176.095 177.584 0.050 0.000 1.278 1055 A CA -0.651 51.443 52.037 0.094 0.000 0.711 1055 A CB 1.714 20.773 19.000 0.099 0.000 1.332 1055 A HN 0.700 nan 8.150 nan 0.000 0.478 1056 E N -0.819 119.404 120.200 0.038 0.000 2.292 1056 E HA 0.574 4.924 4.350 -0.000 0.000 0.272 1056 E C -2.310 174.298 176.600 0.012 0.000 0.881 1056 E CA -0.575 55.837 56.400 0.021 0.000 0.754 1056 E CB 2.242 31.953 29.700 0.019 0.000 1.201 1056 E HN 0.410 nan 8.360 nan 0.000 0.425 1057 L N 3.927 125.153 121.223 0.004 0.000 2.441 1057 L HA 0.310 4.650 4.340 -0.000 0.000 0.270 1057 L C -1.285 175.582 176.870 -0.005 0.000 0.973 1057 L CA -0.180 54.658 54.840 -0.002 0.000 0.842 1057 L CB 1.510 43.566 42.059 -0.006 0.000 1.239 1057 L HN 0.582 nan 8.230 nan 0.000 0.406 1058 D N 4.460 124.857 120.400 -0.005 0.000 2.704 1058 D HA -0.205 4.435 4.640 -0.000 0.000 0.232 1058 D C 1.198 177.496 176.300 -0.004 0.000 1.183 1058 D CA 1.491 55.488 54.000 -0.005 0.000 0.647 1058 D CB -0.900 39.895 40.800 -0.008 0.000 1.013 1058 D HN 1.166 nan 8.370 nan 0.000 0.415 1059 G N -0.533 108.266 108.800 -0.001 0.000 2.166 1059 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 1059 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 1059 G C 0.239 175.138 174.900 -0.002 0.000 0.986 1059 G CA 0.846 45.945 45.100 -0.000 0.000 0.683 1059 G HN 0.488 nan 8.290 nan 0.000 0.527 1060 K N 0.921 121.319 120.400 -0.003 0.000 2.221 1060 K HA 0.439 4.759 4.320 -0.000 0.000 0.258 1060 K C -2.609 173.989 176.600 -0.004 0.000 0.944 1060 K CA -1.959 54.324 56.287 -0.006 0.000 0.823 1060 K CB 2.804 35.298 32.500 -0.010 0.000 1.113 1060 K HN 0.035 nan 8.250 nan 0.000 0.431 1061 P HA 0.132 nan 4.420 nan 0.000 0.276 1061 P C -0.597 176.699 177.300 -0.007 0.000 1.230 1061 P CA -0.278 62.822 63.100 -0.000 0.000 0.776 1061 P CB 0.936 32.635 31.700 -0.002 0.000 0.888 1062 V N 4.510 124.426 119.914 0.003 0.000 2.925 1062 V HA 0.366 4.486 4.120 -0.000 0.000 0.311 1062 V C 0.086 176.190 176.094 0.017 0.000 1.104 1062 V CA -0.841 61.457 62.300 -0.004 0.000 0.954 1062 V CB 2.495 34.316 31.823 -0.003 0.000 1.022 1062 V HN 0.398 nan 8.190 nan 0.000 0.427 1063 I N 3.687 124.260 120.570 0.004 0.000 2.437 1063 I HA 0.516 4.686 4.170 -0.000 0.000 0.298 1063 I C -0.324 175.826 176.117 0.055 0.000 0.984 1063 I CA -0.510 60.812 61.300 0.037 0.000 1.214 1063 I CB 1.875 39.884 38.000 0.016 0.000 1.365 1063 I HN 0.242 nan 8.210 nan 0.000 0.469 1064 V N 5.295 125.272 119.914 0.106 0.000 2.444 1064 V HA 0.427 4.547 4.120 -0.000 0.000 0.294 1064 V C -0.426 175.756 176.094 0.146 0.000 1.022 1064 V CA -0.491 61.870 62.300 0.102 0.000 0.850 1064 V CB 2.043 33.911 31.823 0.076 0.000 0.992 1064 V HN 0.906 nan 8.190 nan 0.000 0.426 1065 C N 5.024 124.406 119.300 0.137 0.000 2.551 1065 C HA 0.724 5.184 4.460 -0.000 0.000 0.332 1065 C C 0.416 175.511 174.990 0.175 0.000 1.139 1065 C CA -0.366 58.755 59.018 0.173 0.000 1.328 1065 C CB 1.152 28.995 27.740 0.172 0.000 1.903 1065 C HN 1.034 nan 8.230 nan 0.000 0.459 1066 S N 3.243 119.057 115.700 0.189 0.000 2.584 1066 S HA 0.416 4.886 4.470 -0.000 0.000 0.273 1066 S C 0.881 175.618 174.600 0.228 0.000 1.311 1066 S CA 0.340 58.631 58.200 0.152 0.000 1.034 1066 S CB 1.378 64.630 63.200 0.087 0.000 0.939 1066 S HN 1.049 nan 8.310 nan 0.000 0.513 1067 T N -0.947 113.701 114.554 0.156 0.000 3.044 1067 T HA 0.507 4.857 4.350 -0.000 0.000 0.250 1067 T C 1.215 175.954 174.700 0.064 0.000 1.081 1067 T CA 0.233 62.451 62.100 0.196 0.000 1.040 1067 T CB -0.961 67.978 68.868 0.118 0.000 0.962 1067 T HN 1.856 nan 8.240 nan 0.000 0.506 1068 G N 1.628 110.398 108.800 -0.049 0.000 2.796 1068 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.226 1068 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.226 1068 G C -0.530 174.339 174.900 -0.052 0.000 1.381 1068 G CA -0.464 44.566 45.100 -0.116 0.000 0.867 1068 G HN 0.643 nan 8.290 nan 0.000 0.552 1069 I N 2.276 122.809 120.570 -0.061 0.000 2.416 1069 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 1069 I C 1.122 177.227 176.117 -0.021 0.000 1.051 1069 I CA 1.167 62.445 61.300 -0.035 0.000 1.375 1069 I CB 0.486 38.458 38.000 -0.048 0.000 1.407 1069 I HN 1.947 nan 8.210 nan 0.000 0.516 1070 G N 3.971 112.769 108.800 -0.003 0.000 2.619 1070 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.686 1070 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.686 1070 G C 0.521 175.425 174.900 0.007 0.000 1.256 1070 G CA -0.480 44.622 45.100 0.002 0.000 0.826 1070 G HN 0.892 nan 8.290 nan 0.000 0.619 1071 G N 0.348 109.151 108.800 0.005 0.000 2.491 1071 G HA2 0.023 3.983 3.960 -0.000 0.000 0.218 1071 G HA3 0.023 3.983 3.960 -0.000 0.000 0.218 1071 G C 0.164 175.071 174.900 0.011 0.000 1.180 1071 G CA 2.256 47.359 45.100 0.005 0.000 0.774 1071 G HN 0.710 nan 8.290 nan 0.000 0.562 1072 P HA -0.134 nan 4.420 nan 0.000 0.214 1072 P C 2.483 179.810 177.300 0.043 0.000 1.163 1072 P CA 2.514 65.615 63.100 0.000 0.000 0.889 1072 P CB -0.255 31.438 31.700 -0.012 0.000 0.790 1073 S N -2.091 113.647 115.700 0.064 0.000 2.387 1073 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 1073 S C 1.967 176.699 174.600 0.220 0.000 1.026 1073 S CA 1.750 60.051 58.200 0.169 0.000 0.972 1073 S CB -1.984 61.259 63.200 0.073 0.000 0.814 1073 S HN 0.079 nan 8.310 nan 0.000 0.477 1074 T N 3.176 117.797 114.554 0.112 0.000 2.665 1074 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 1074 T C 2.319 177.025 174.700 0.009 0.000 1.035 1074 T CA 2.073 64.213 62.100 0.067 0.000 1.151 1074 T CB -0.853 68.021 68.868 0.011 0.000 0.862 1074 T HN 0.800 nan 8.240 nan 0.000 0.438 1075 S N 1.085 116.795 115.700 0.017 0.000 2.399 1075 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 1075 S C 2.063 176.674 174.600 0.017 0.000 1.022 1075 S CA 0.840 59.056 58.200 0.027 0.000 0.983 1075 S CB -0.739 62.571 63.200 0.184 0.000 0.803 1075 S HN 0.529 nan 8.310 nan 0.000 0.480 1076 I N 1.935 122.502 120.570 -0.005 0.000 2.233 1076 I HA -0.063 4.107 4.170 -0.000 0.000 0.243 1076 I C 3.134 179.133 176.117 -0.197 0.000 1.093 1076 I CA 0.988 62.222 61.300 -0.109 0.000 1.380 1076 I CB -0.775 37.081 38.000 -0.239 0.000 1.067 1076 I HN 0.429 nan 8.210 nan 0.000 0.413 1077 A N 0.636 123.332 122.820 -0.208 0.000 1.883 1077 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 1077 A C 2.426 179.978 177.584 -0.052 0.000 1.186 1077 A CA 2.012 53.943 52.037 -0.177 0.000 0.624 1077 A CB -1.058 17.976 19.000 0.057 0.000 0.822 1077 A HN 0.241 nan 8.150 nan 0.000 0.444 1078 V N 0.153 120.002 119.914 -0.109 0.000 2.295 1078 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 1078 V C 2.648 178.671 176.094 -0.118 0.000 1.049 1078 V CA 2.476 64.611 62.300 -0.275 0.000 1.024 1078 V CB -0.766 30.686 31.823 -0.618 0.000 0.648 1078 V HN 0.774 nan 8.190 nan 0.000 0.447 1079 E N 0.880 121.034 120.200 -0.077 0.000 2.058 1079 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 1079 E C 2.071 178.698 176.600 0.046 0.000 0.997 1079 E CA 2.019 58.423 56.400 0.006 0.000 0.801 1079 E CB -0.295 29.440 29.700 0.059 0.000 0.746 1079 E HN 0.683 nan 8.360 nan 0.000 0.450 1080 E N -0.111 120.105 120.200 0.027 0.000 2.107 1080 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 1080 E C 2.309 178.947 176.600 0.063 0.000 0.982 1080 E CA 0.895 57.316 56.400 0.035 0.000 0.809 1080 E CB -0.136 29.561 29.700 -0.005 0.000 0.756 1080 E HN 0.286 nan 8.360 nan 0.000 0.459 1081 L N 0.801 122.087 121.223 0.105 0.000 2.042 1081 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 1081 L C 2.626 179.604 176.870 0.179 0.000 1.076 1081 L CA 1.101 56.038 54.840 0.161 0.000 0.749 1081 L CB -0.516 41.721 42.059 0.296 0.000 0.893 1081 L HN 0.156 nan 8.230 nan 0.000 0.432 1082 A N -0.543 122.438 122.820 0.267 0.000 1.908 1082 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 1082 A C 2.197 179.847 177.584 0.109 0.000 1.181 1082 A CA 1.791 53.960 52.037 0.219 0.000 0.627 1082 A CB -0.564 18.556 19.000 0.199 0.000 0.818 1082 A HN 0.495 nan 8.150 nan 0.000 0.445 1083 Q N -0.746 119.106 119.800 0.086 0.000 2.181 1083 Q HA -0.087 4.253 4.340 -0.000 0.000 0.205 1083 Q C 1.659 177.686 176.000 0.044 0.000 0.980 1083 Q CA 1.315 57.153 55.803 0.058 0.000 0.862 1083 Q CB -0.275 28.494 28.738 0.051 0.000 0.905 1083 Q HN 0.700 nan 8.270 nan 0.000 0.429 1084 L N -1.409 119.841 121.223 0.045 0.000 2.591 1084 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 1084 L C 1.160 178.039 176.870 0.016 0.000 1.133 1084 L CA 0.504 55.361 54.840 0.028 0.000 0.880 1084 L CB 0.286 42.360 42.059 0.025 0.000 1.033 1084 L HN 0.401 nan 8.230 nan 0.000 0.450 1085 G N -0.524 108.288 108.800 0.020 0.000 2.205 1085 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.180 1085 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.180 1085 G C 0.225 175.107 174.900 -0.030 0.000 1.004 1085 G CA -0.730 44.371 45.100 0.002 0.000 0.670 1085 G HN 0.046 nan 8.290 nan 0.000 0.496 1086 I N 1.201 121.740 120.570 -0.053 0.000 2.618 1086 I HA 0.291 4.461 4.170 -0.000 0.000 0.284 1086 I C 1.286 177.296 176.117 -0.178 0.000 1.146 1086 I CA 0.367 61.544 61.300 -0.205 0.000 1.425 1086 I CB 0.920 38.683 38.000 -0.396 0.000 1.383 1086 I HN 0.114 nan 8.210 nan 0.000 0.562 1087 R N 2.935 123.305 120.500 -0.218 0.000 2.521 1087 R HA 0.204 4.544 4.340 -0.000 0.000 0.289 1087 R C -0.307 175.943 176.300 -0.083 0.000 0.936 1087 R CA 0.124 56.183 56.100 -0.069 0.000 1.089 1087 R CB 0.727 31.014 30.300 -0.022 0.000 1.348 1087 R HN 0.537 nan 8.270 nan 0.000 0.536 1088 T N 1.086 115.463 114.554 -0.294 0.000 2.879 1088 T HA 0.568 4.918 4.350 -0.000 0.000 0.290 1088 T C -1.105 173.367 174.700 -0.379 0.000 0.993 1088 T CA -0.285 61.710 62.100 -0.175 0.000 0.975 1088 T CB 1.298 70.101 68.868 -0.108 0.000 0.981 1088 T HN -0.137 nan 8.240 nan 0.000 0.439 1089 F N 2.796 122.743 119.950 -0.005 0.000 2.477 1089 F HA 0.561 5.088 4.527 0.000 0.000 0.335 1089 F C -0.252 175.545 175.800 -0.005 0.000 1.130 1089 F CA -0.994 57.003 58.000 -0.005 0.000 0.948 1089 F CB 1.316 40.308 39.000 -0.012 0.000 1.154 1089 F HN 0.188 nan 8.300 nan 0.000 0.439 1090 L N 4.180 125.483 121.223 0.134 0.000 2.298 1090 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 1090 L C -0.157 176.764 176.870 0.085 0.000 1.013 1090 L CA -0.786 54.104 54.840 0.083 0.000 0.824 1090 L CB 1.860 43.939 42.059 0.032 0.000 1.221 1090 L HN 0.571 nan 8.230 nan 0.000 0.418 1091 R N 3.353 123.897 120.500 0.073 0.000 2.297 1091 R HA 0.568 4.908 4.340 -0.000 0.000 0.308 1091 R C -0.996 175.327 176.300 0.037 0.000 1.029 1091 R CA -0.441 55.694 56.100 0.058 0.000 0.929 1091 R CB 1.249 31.576 30.300 0.046 0.000 1.046 1091 R HN 0.529 nan 8.270 nan 0.000 0.461 1092 I N 3.805 124.395 120.570 0.033 0.000 2.418 1092 I HA 0.671 4.841 4.170 -0.000 0.000 0.287 1092 I C -0.722 175.407 176.117 0.020 0.000 1.008 1092 I CA -0.162 61.151 61.300 0.022 0.000 1.104 1092 I CB 1.731 39.740 38.000 0.015 0.000 1.264 1092 I HN 0.749 nan 8.210 nan 0.000 0.438 1093 G N 4.070 112.881 108.800 0.019 0.000 2.798 1093 G HA2 0.709 4.669 3.960 -0.000 0.000 0.286 1093 G HA3 0.709 4.669 3.960 -0.000 0.000 0.286 1093 G C -1.128 173.783 174.900 0.017 0.000 1.389 1093 G CA -0.346 44.764 45.100 0.018 0.000 0.894 1093 G HN 0.661 nan 8.290 nan 0.000 0.488 1094 T N -2.731 111.834 114.554 0.019 0.000 2.918 1094 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 1094 T C -0.340 174.378 174.700 0.030 0.000 1.026 1094 T CA -0.597 61.516 62.100 0.021 0.000 1.031 1094 T CB 2.061 70.940 68.868 0.019 0.000 1.046 1094 T HN 0.889 nan 8.240 nan 0.000 0.479 1095 T N -0.127 114.444 114.554 0.028 0.000 2.821 1095 T HA 0.689 5.039 4.350 -0.000 0.000 0.306 1095 T C -0.689 174.024 174.700 0.023 0.000 1.313 1095 T CA -0.415 61.702 62.100 0.029 0.000 1.012 1095 T CB 1.409 70.288 68.868 0.018 0.000 1.298 1095 T HN 1.179 nan 8.240 nan 0.000 0.502 1096 G N 1.292 110.106 108.800 0.024 0.000 2.422 1096 G HA2 0.670 4.630 3.960 -0.000 0.000 0.317 1096 G HA3 0.670 4.630 3.960 -0.000 0.000 0.317 1096 G C -0.112 174.789 174.900 0.003 0.000 1.210 1096 G CA -0.214 44.893 45.100 0.013 0.000 0.930 1096 G HN 0.973 nan 8.290 nan 0.000 0.468 1097 A N 2.029 124.830 122.820 -0.032 0.000 2.351 1097 A HA 0.575 4.895 4.320 -0.000 0.000 0.257 1097 A C 1.104 178.651 177.584 -0.062 0.000 1.087 1097 A CA -0.397 51.593 52.037 -0.079 0.000 0.798 1097 A CB 0.290 19.212 19.000 -0.130 0.000 1.033 1097 A HN 1.279 nan 8.150 nan 0.000 0.488 1098 I N -2.448 118.066 120.570 -0.093 0.000 4.240 1098 I HA 0.241 4.411 4.170 -0.000 0.000 0.331 1098 I C -0.236 175.841 176.117 -0.066 0.000 1.381 1098 I CA -0.294 60.973 61.300 -0.055 0.000 1.136 1098 I CB 0.202 38.164 38.000 -0.063 0.000 1.137 1098 I HN 0.320 nan 8.210 nan 0.000 0.411 1099 Q N 3.027 122.744 119.800 -0.138 0.000 2.271 1099 Q HA 0.373 4.713 4.340 -0.000 0.000 0.258 1099 Q C -1.840 174.056 176.000 -0.173 0.000 0.936 1099 Q CA -2.097 53.615 55.803 -0.151 0.000 0.909 1099 Q CB 1.841 30.402 28.738 -0.294 0.000 1.253 1099 Q HN 0.063 nan 8.270 nan 0.000 0.440 1100 P HA -0.142 nan 4.420 nan 0.000 0.226 1100 P C 0.743 178.038 177.300 -0.008 0.000 1.153 1100 P CA 1.321 64.413 63.100 -0.013 0.000 0.777 1100 P CB 0.156 31.880 31.700 0.039 0.000 0.794 1101 H N -1.263 117.778 119.070 -0.048 0.000 2.551 1101 H HA 0.213 4.769 4.556 -0.000 0.000 0.266 1101 H C 0.646 175.935 175.328 -0.065 0.000 0.964 1101 H CA -0.268 55.761 56.048 -0.032 0.000 1.180 1101 H CB -0.547 29.210 29.762 -0.008 0.000 1.408 1101 H HN 0.113 nan 8.280 nan 0.000 0.563 1102 I N 2.884 123.108 120.570 -0.577 0.000 2.352 1102 I HA 0.084 4.254 4.170 -0.000 0.000 0.290 1102 I C -0.348 175.669 176.117 -0.167 0.000 1.036 1102 I CA -0.178 60.835 61.300 -0.479 0.000 1.336 1102 I CB 0.733 38.341 38.000 -0.653 0.000 1.407 1102 I HN 0.139 nan 8.210 nan 0.000 0.497 1103 N N 4.254 122.934 118.700 -0.033 0.000 2.466 1103 N HA 0.379 5.119 4.740 -0.000 0.000 0.294 1103 N C -0.839 174.669 175.510 -0.003 0.000 1.129 1103 N CA -0.854 52.192 53.050 -0.007 0.000 0.931 1103 N CB 1.868 40.369 38.487 0.025 0.000 1.193 1103 N HN 0.224 nan 8.380 nan 0.000 0.500 1104 V N 1.387 121.295 119.914 -0.010 0.000 2.584 1104 V HA 0.173 4.293 4.120 -0.000 0.000 0.303 1104 V C 1.455 177.541 176.094 -0.014 0.000 1.035 1104 V CA 1.379 63.673 62.300 -0.011 0.000 1.172 1104 V CB -0.224 31.592 31.823 -0.013 0.000 0.896 1104 V HN 1.116 nan 8.190 nan 0.000 0.486 1105 G N 3.596 112.385 108.800 -0.018 0.000 2.259 1105 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 1105 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 1105 G C -0.080 174.818 174.900 -0.002 0.000 1.001 1105 G CA -0.035 45.038 45.100 -0.044 0.000 0.627 1105 G HN 0.671 nan 8.290 nan 0.000 0.501 1106 D N 0.224 120.651 120.400 0.045 0.000 2.360 1106 D HA 0.528 5.168 4.640 -0.000 0.000 0.242 1106 D C 0.390 176.750 176.300 0.099 0.000 1.184 1106 D CA 0.073 54.134 54.000 0.102 0.000 0.930 1106 D CB 1.749 42.673 40.800 0.207 0.000 1.161 1106 D HN 0.236 nan 8.370 nan 0.000 0.447 1107 V N 1.716 121.694 119.914 0.107 0.000 2.495 1107 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 1107 V C -0.177 175.974 176.094 0.095 0.000 1.031 1107 V CA -0.749 61.601 62.300 0.084 0.000 0.871 1107 V CB 1.410 33.273 31.823 0.067 0.000 0.988 1107 V HN 0.281 nan 8.190 nan 0.000 0.432 1108 L N 5.176 126.444 121.223 0.075 0.000 2.313 1108 L HA 0.652 4.992 4.340 -0.000 0.000 0.283 1108 L C -0.750 176.145 176.870 0.043 0.000 1.013 1108 L CA -0.805 54.080 54.840 0.074 0.000 0.816 1108 L CB 1.961 44.049 42.059 0.049 0.000 1.236 1108 L HN 0.322 nan 8.230 nan 0.000 0.419 1109 V N 1.823 121.761 119.914 0.040 0.000 2.384 1109 V HA 0.299 4.419 4.120 -0.000 0.000 0.287 1109 V C 0.261 176.368 176.094 0.022 0.000 1.020 1109 V CA -0.408 61.905 62.300 0.021 0.000 0.850 1109 V CB 1.734 33.562 31.823 0.008 0.000 0.987 1109 V HN 0.732 nan 8.190 nan 0.000 0.436 1110 T N 3.478 118.041 114.554 0.014 0.000 2.780 1110 T HA 0.196 4.546 4.350 -0.000 0.000 0.294 1110 T C 1.346 176.055 174.700 0.016 0.000 0.949 1110 T CA 0.218 62.324 62.100 0.010 0.000 1.074 1110 T CB 1.204 70.073 68.868 0.001 0.000 0.910 1110 T HN 0.966 nan 8.240 nan 0.000 0.501 1111 T N 0.638 115.204 114.554 0.021 0.000 2.978 1111 T HA 0.484 4.834 4.350 -0.000 0.000 0.262 1111 T C 0.689 175.406 174.700 0.029 0.000 1.063 1111 T CA 0.260 62.380 62.100 0.033 0.000 1.140 1111 T CB 0.165 69.058 68.868 0.043 0.000 0.886 1111 T HN 0.775 nan 8.240 nan 0.000 0.470 1112 A N -0.055 122.772 122.820 0.012 0.000 2.567 1112 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 1112 A C -1.094 176.479 177.584 -0.017 0.000 1.048 1112 A CA -0.859 51.182 52.037 0.007 0.000 0.661 1112 A CB 1.002 20.006 19.000 0.007 0.000 1.288 1112 A HN 0.182 nan 8.150 nan 0.000 0.424 1113 S N -0.080 115.607 115.700 -0.021 0.000 2.503 1113 S HA 0.577 5.047 4.470 -0.000 0.000 0.301 1113 S C -0.227 174.324 174.600 -0.082 0.000 1.087 1113 S CA -0.578 57.588 58.200 -0.058 0.000 1.042 1113 S CB 1.643 64.818 63.200 -0.042 0.000 1.043 1113 S HN 1.012 nan 8.310 nan 0.000 0.489 1114 V N 3.525 123.334 119.914 -0.175 0.000 2.493 1114 V HA 0.084 4.204 4.120 -0.000 0.000 0.292 1114 V C 0.689 176.695 176.094 -0.147 0.000 1.016 1114 V CA 0.232 62.386 62.300 -0.245 0.000 1.097 1114 V CB -0.482 30.974 31.823 -0.613 0.000 0.947 1114 V HN 0.699 nan 8.190 nan 0.000 0.479 1115 R N 5.383 125.854 120.500 -0.048 0.000 2.891 1115 R HA 0.313 4.653 4.340 -0.000 0.000 0.248 1115 R C 0.060 176.400 176.300 0.068 0.000 1.439 1115 R CA -0.154 55.960 56.100 0.023 0.000 1.288 1115 R CB 0.048 30.388 30.300 0.066 0.000 1.212 1115 R HN 0.677 nan 8.270 nan 0.000 0.605 1116 L N 2.332 123.598 121.223 0.072 0.000 2.851 1116 L HA 0.126 4.466 4.340 -0.000 0.000 0.237 1116 L C 0.231 177.195 176.870 0.158 0.000 1.257 1116 L CA -0.201 54.752 54.840 0.187 0.000 1.061 1116 L CB -0.704 41.502 42.059 0.246 0.000 1.372 1116 L HN 0.518 nan 8.230 nan 0.000 0.493 1117 D N -1.484 118.983 120.400 0.112 0.000 2.497 1117 D HA 0.283 4.923 4.640 -0.000 0.000 0.243 1117 D C 0.767 177.120 176.300 0.087 0.000 1.039 1117 D CA -0.410 53.639 54.000 0.082 0.000 1.052 1117 D CB 1.882 42.713 40.800 0.051 0.000 1.344 1117 D HN -0.070 nan 8.370 nan 0.000 0.553 1118 G N -0.873 107.960 108.800 0.055 0.000 2.608 1118 G HA2 0.186 4.146 3.960 -0.000 0.000 0.210 1118 G HA3 0.186 4.146 3.960 -0.000 0.000 0.210 1118 G C 1.296 176.192 174.900 -0.007 0.000 1.139 1118 G CA 0.640 45.771 45.100 0.052 0.000 0.812 1118 G HN 0.611 nan 8.290 nan 0.000 0.529 1119 A N 1.674 124.448 122.820 -0.077 0.000 1.929 1119 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 1119 A C 2.687 180.338 177.584 0.111 0.000 1.176 1119 A CA 2.267 54.207 52.037 -0.161 0.000 0.628 1119 A CB -0.676 18.292 19.000 -0.053 0.000 0.816 1119 A HN 0.661 nan 8.150 nan 0.000 0.444 1120 S N 0.447 116.243 115.700 0.160 0.000 2.383 1120 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 1120 S C 1.728 176.473 174.600 0.242 0.000 1.030 1120 S CA 1.530 59.869 58.200 0.232 0.000 1.002 1120 S CB -0.829 62.452 63.200 0.134 0.000 0.829 1120 S HN 0.445 nan 8.310 nan 0.000 0.467 1121 L N 0.884 122.228 121.223 0.202 0.000 2.353 1121 L HA -0.042 4.298 4.340 -0.000 0.000 0.220 1121 L C 2.376 179.335 176.870 0.149 0.000 1.133 1121 L CA 1.171 56.116 54.840 0.175 0.000 0.798 1121 L CB -0.784 41.374 42.059 0.166 0.000 0.922 1121 L HN 0.507 nan 8.230 nan 0.000 0.445 1122 H N -1.864 117.143 119.070 -0.105 0.000 2.551 1122 H HA 0.015 4.571 4.556 0.000 0.000 0.266 1122 H C 1.309 176.293 175.328 -0.574 0.000 0.977 1122 H CA 0.560 56.400 56.048 -0.348 0.000 1.163 1122 H CB 0.394 29.873 29.762 -0.471 0.000 1.381 1122 H HN 0.348 nan 8.280 nan 0.000 0.581 1123 F N -0.222 119.747 119.950 0.032 0.000 2.619 1123 F HA 0.423 4.950 4.527 0.000 0.000 0.281 1123 F C 0.912 176.622 175.800 -0.148 0.000 1.065 1123 F CA 0.024 57.984 58.000 -0.066 0.000 1.304 1123 F CB 0.904 39.845 39.000 -0.097 0.000 1.059 1123 F HN -0.045 nan 8.300 nan 0.000 0.648 1124 A N 0.315 123.155 122.820 0.033 0.000 2.594 1124 A HA 0.661 4.981 4.320 -0.000 0.000 0.295 1124 A C -2.763 174.839 177.584 0.031 0.000 1.071 1124 A CA -1.504 50.480 52.037 -0.089 0.000 0.685 1124 A CB 0.720 19.451 19.000 -0.449 0.000 1.285 1124 A HN -0.172 nan 8.150 nan 0.000 0.405 1125 P HA 0.130 nan 4.420 nan 0.000 0.272 1125 P C 0.837 178.218 177.300 0.136 0.000 1.240 1125 P CA -0.343 62.809 63.100 0.087 0.000 0.791 1125 P CB 0.643 32.390 31.700 0.079 0.000 0.978 1126 L N 1.442 122.733 121.223 0.114 0.000 2.079 1126 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 1126 L C 2.242 179.194 176.870 0.137 0.000 1.081 1126 L CA 1.911 56.824 54.840 0.122 0.000 0.752 1126 L CB -1.414 40.703 42.059 0.097 0.000 0.896 1126 L HN 0.471 nan 8.230 nan 0.000 0.433 1127 E N -1.154 119.123 120.200 0.129 0.000 2.401 1127 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 1127 E C 0.775 177.451 176.600 0.127 0.000 1.023 1127 E CA 0.158 56.623 56.400 0.108 0.000 0.859 1127 E CB -0.786 28.964 29.700 0.084 0.000 0.780 1127 E HN 0.449 nan 8.360 nan 0.000 0.523 1128 F N 4.061 124.034 119.950 0.040 0.000 2.427 1128 F HA 0.228 4.755 4.527 -0.000 0.000 0.352 1128 F C -2.018 173.802 175.800 0.034 0.000 1.100 1128 F CA -2.718 55.305 58.000 0.038 0.000 1.191 1128 F CB 0.802 39.830 39.000 0.046 0.000 1.128 1128 F HN -0.181 nan 8.300 nan 0.000 0.533 1129 P HA 0.101 nan 4.420 nan 0.000 0.276 1129 P C -1.086 176.295 177.300 0.135 0.000 1.235 1129 P CA -0.296 62.773 63.100 -0.052 0.000 0.772 1129 P CB 1.170 32.757 31.700 -0.188 0.000 0.871 1130 A N 4.207 127.109 122.820 0.137 0.000 3.026 1130 A HA 0.223 4.543 4.320 -0.000 0.000 0.272 1130 A C 0.305 177.935 177.584 0.076 0.000 1.782 1130 A CA -0.282 51.833 52.037 0.130 0.000 1.451 1130 A CB -0.971 18.076 19.000 0.078 0.000 1.081 1130 A HN 0.473 nan 8.150 nan 0.000 0.611 1131 V N 1.992 121.959 119.914 0.088 0.000 2.481 1131 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 1131 V C 0.679 176.815 176.094 0.070 0.000 1.042 1131 V CA -0.214 62.119 62.300 0.054 0.000 0.928 1131 V CB 1.256 33.090 31.823 0.019 0.000 0.986 1131 V HN 0.904 nan 8.190 nan 0.000 0.462 1132 A N 4.394 127.249 122.820 0.058 0.000 2.386 1132 A HA 0.336 4.656 4.320 -0.000 0.000 0.248 1132 A C 0.159 177.794 177.584 0.086 0.000 1.082 1132 A CA -0.151 51.923 52.037 0.062 0.000 0.789 1132 A CB 0.067 19.094 19.000 0.044 0.000 1.025 1132 A HN 1.040 nan 8.150 nan 0.000 0.490 1133 D N 0.351 120.803 120.400 0.085 0.000 2.455 1133 D HA 0.043 4.683 4.640 -0.000 0.000 0.241 1133 D C 0.725 177.098 176.300 0.122 0.000 1.138 1133 D CA 0.211 54.276 54.000 0.108 0.000 0.877 1133 D CB 0.112 40.966 40.800 0.089 0.000 1.187 1133 D HN 0.422 nan 8.370 nan 0.000 0.451 1134 F N 2.798 122.760 119.950 0.019 0.000 2.134 1134 F HA -0.130 4.397 4.527 0.000 0.000 0.299 1134 F C 1.900 177.707 175.800 0.013 0.000 1.097 1134 F CA 1.410 59.418 58.000 0.013 0.000 1.264 1134 F CB 0.125 39.130 39.000 0.009 0.000 1.001 1134 F HN 0.539 nan 8.300 nan 0.000 0.479 1135 E N -0.470 119.696 120.200 -0.056 0.000 2.077 1135 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 1135 E C 2.319 178.824 176.600 -0.159 0.000 0.989 1135 E CA 1.605 57.915 56.400 -0.150 0.000 0.800 1135 E CB -0.424 29.272 29.700 -0.005 0.000 0.746 1135 E HN 0.461 nan 8.360 nan 0.000 0.452 1136 C N 0.345 119.600 119.300 -0.076 0.000 2.432 1136 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 1136 C C 2.851 177.787 174.990 -0.089 0.000 1.249 1136 C CA 1.170 60.155 59.018 -0.056 0.000 1.725 1136 C CB -1.049 26.689 27.740 -0.003 0.000 2.028 1136 C HN 0.512 nan 8.230 nan 0.000 0.477 1137 T N 0.732 115.222 114.554 -0.107 0.000 2.665 1137 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 1137 T C 1.779 176.369 174.700 -0.183 0.000 1.035 1137 T CA 2.296 64.327 62.100 -0.116 0.000 1.151 1137 T CB -0.586 68.231 68.868 -0.085 0.000 0.862 1137 T HN 0.612 nan 8.240 nan 0.000 0.438 1138 T N 1.942 116.297 114.554 -0.333 0.000 2.674 1138 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 1138 T C 2.411 176.998 174.700 -0.188 0.000 1.039 1138 T CA 1.288 63.182 62.100 -0.342 0.000 1.150 1138 T CB -0.663 67.882 68.868 -0.539 0.000 0.864 1138 T HN 0.448 nan 8.240 nan 0.000 0.427 1139 A N 0.990 123.716 122.820 -0.157 0.000 1.940 1139 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 1139 A C 2.322 179.860 177.584 -0.077 0.000 1.176 1139 A CA 1.352 53.331 52.037 -0.098 0.000 0.631 1139 A CB -0.877 18.077 19.000 -0.077 0.000 0.814 1139 A HN 0.480 nan 8.150 nan 0.000 0.446 1140 L N -0.810 120.368 121.223 -0.074 0.000 2.027 1140 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 1140 L C 2.556 179.395 176.870 -0.052 0.000 1.074 1140 L CA 1.067 55.876 54.840 -0.052 0.000 0.745 1140 L CB -0.504 41.532 42.059 -0.039 0.000 0.898 1140 L HN 0.249 nan 8.230 nan 0.000 0.433 1141 V N -0.198 119.678 119.914 -0.064 0.000 2.343 1141 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 1141 V C 2.354 178.414 176.094 -0.056 0.000 1.051 1141 V CA 1.829 64.095 62.300 -0.056 0.000 1.036 1141 V CB -0.499 31.288 31.823 -0.061 0.000 0.654 1141 V HN 0.460 nan 8.190 nan 0.000 0.451 1142 E N 0.094 120.255 120.200 -0.066 0.000 2.106 1142 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 1142 E C 2.336 178.905 176.600 -0.052 0.000 0.984 1142 E CA 1.163 57.528 56.400 -0.057 0.000 0.806 1142 E CB -0.279 29.384 29.700 -0.062 0.000 0.750 1142 E HN 0.604 nan 8.360 nan 0.000 0.458 1143 A N 1.563 124.351 122.820 -0.054 0.000 1.898 1143 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 1143 A C 2.392 179.941 177.584 -0.058 0.000 1.181 1143 A CA 1.585 53.591 52.037 -0.053 0.000 0.620 1143 A CB -0.542 18.428 19.000 -0.049 0.000 0.819 1143 A HN 0.285 nan 8.150 nan 0.000 0.442 1144 A N -0.293 122.495 122.820 -0.054 0.000 1.902 1144 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 1144 A C 2.093 179.642 177.584 -0.059 0.000 1.181 1144 A CA 2.186 54.190 52.037 -0.055 0.000 0.623 1144 A CB -0.440 18.536 19.000 -0.040 0.000 0.818 1144 A HN 0.457 nan 8.150 nan 0.000 0.443 1145 K N 0.149 120.518 120.400 -0.052 0.000 2.097 1145 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 1145 K C 2.367 178.938 176.600 -0.049 0.000 1.049 1145 K CA 1.548 57.807 56.287 -0.046 0.000 0.933 1145 K CB -0.217 32.259 32.500 -0.040 0.000 0.717 1145 K HN 0.586 nan 8.250 nan 0.000 0.442 1146 S N 0.413 116.081 115.700 -0.053 0.000 2.402 1146 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 1146 S C 1.724 176.285 174.600 -0.065 0.000 1.021 1146 S CA 1.154 59.322 58.200 -0.052 0.000 0.974 1146 S CB -0.370 62.800 63.200 -0.050 0.000 0.800 1146 S HN 0.427 nan 8.310 nan 0.000 0.484 1147 I N -2.372 118.144 120.570 -0.090 0.000 3.956 1147 I HA 0.595 4.765 4.170 -0.000 0.000 0.333 1147 I C 1.222 177.259 176.117 -0.134 0.000 1.302 1147 I CA 0.323 61.546 61.300 -0.128 0.000 1.122 1147 I CB 0.024 37.912 38.000 -0.186 0.000 1.013 1147 I HN 0.295 nan 8.210 nan 0.000 0.405 1148 G N 1.381 110.129 108.800 -0.087 0.000 2.160 1148 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.251 1148 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.251 1148 G C 0.406 175.290 174.900 -0.027 0.000 1.008 1148 G CA 0.050 45.119 45.100 -0.051 0.000 0.724 1148 G HN 0.999 nan 8.290 nan 0.000 0.514 1149 A N 0.210 123.004 122.820 -0.042 0.000 2.371 1149 A HA 0.729 5.049 4.320 -0.000 0.000 0.257 1149 A C 1.043 178.637 177.584 0.016 0.000 1.089 1149 A CA 0.948 53.015 52.037 0.050 0.000 0.794 1149 A CB 0.377 19.427 19.000 0.082 0.000 1.029 1149 A HN 1.881 nan 8.150 nan 0.000 0.488 1150 T N 0.782 115.352 114.554 0.026 0.000 2.779 1150 T HA 0.488 4.838 4.350 -0.000 0.000 0.296 1150 T C 0.029 174.655 174.700 -0.122 0.000 0.938 1150 T CA 0.079 62.148 62.100 -0.052 0.000 1.119 1150 T CB -0.148 68.702 68.868 -0.030 0.000 0.891 1150 T HN 0.539 nan 8.240 nan 0.000 0.526 1151 T N 4.749 119.161 114.554 -0.236 0.000 2.861 1151 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 1151 T C -0.863 173.595 174.700 -0.404 0.000 1.003 1151 T CA -0.758 61.219 62.100 -0.205 0.000 0.977 1151 T CB 0.940 69.752 68.868 -0.093 0.000 0.996 1151 T HN 0.730 nan 8.240 nan 0.000 0.448 1152 H N 1.011 120.096 119.070 0.025 0.000 2.495 1152 H HA 0.579 5.135 4.556 0.000 0.000 0.348 1152 H C -0.966 174.376 175.328 0.022 0.000 1.113 1152 H CA -0.574 55.495 56.048 0.035 0.000 1.195 1152 H CB 1.860 31.643 29.762 0.034 0.000 1.521 1152 H HN 0.252 nan 8.280 nan 0.000 0.509 1153 V N 2.317 122.307 119.914 0.128 0.000 2.448 1153 V HA 0.688 4.808 4.120 -0.000 0.000 0.295 1153 V C 0.519 176.658 176.094 0.076 0.000 1.025 1153 V CA -0.201 62.143 62.300 0.075 0.000 0.859 1153 V CB 1.321 33.171 31.823 0.045 0.000 0.988 1153 V HN 1.111 nan 8.190 nan 0.000 0.431 1154 G N 3.314 112.147 108.800 0.054 0.000 2.399 1154 G HA2 0.378 4.338 3.960 -0.000 0.000 0.256 1154 G HA3 0.378 4.338 3.960 -0.000 0.000 0.256 1154 G C -1.467 173.441 174.900 0.014 0.000 1.236 1154 G CA -0.400 44.724 45.100 0.041 0.000 0.914 1154 G HN 0.500 nan 8.290 nan 0.000 0.482 1155 V N 0.927 120.840 119.914 -0.002 0.000 2.509 1155 V HA 0.641 4.761 4.120 -0.000 0.000 0.284 1155 V C 0.227 176.277 176.094 -0.075 0.000 1.047 1155 V CA -0.095 62.184 62.300 -0.034 0.000 0.952 1155 V CB 1.294 33.097 31.823 -0.034 0.000 0.988 1155 V HN 0.748 nan 8.190 nan 0.000 0.469 1156 T N 3.827 118.323 114.554 -0.096 0.000 2.829 1156 T HA 0.648 4.998 4.350 -0.000 0.000 0.280 1156 T C -0.042 174.536 174.700 -0.203 0.000 0.999 1156 T CA -0.277 61.744 62.100 -0.132 0.000 0.983 1156 T CB 1.607 70.430 68.868 -0.076 0.000 0.968 1156 T HN 0.902 nan 8.240 nan 0.000 0.446 1157 A N 2.347 124.984 122.820 -0.305 0.000 2.276 1157 A HA 0.625 4.945 4.320 -0.000 0.000 0.300 1157 A C 0.353 177.867 177.584 -0.117 0.000 1.235 1157 A CA -0.457 51.350 52.037 -0.383 0.000 0.867 1157 A CB 0.425 18.984 19.000 -0.734 0.000 1.137 1157 A HN 0.636 nan 8.150 nan 0.000 0.527 1158 S N 2.058 117.707 115.700 -0.084 0.000 2.498 1158 S HA 0.523 4.993 4.470 -0.000 0.000 0.324 1158 S C -0.100 174.514 174.600 0.023 0.000 1.071 1158 S CA -0.315 57.881 58.200 -0.007 0.000 1.113 1158 S CB 0.378 63.567 63.200 -0.017 0.000 0.976 1158 S HN 1.052 nan 8.310 nan 0.000 0.462 1159 S N 3.343 119.063 115.700 0.033 0.000 2.509 1159 S HA 0.375 4.845 4.470 -0.000 0.000 0.297 1159 S C 0.417 175.006 174.600 -0.018 0.000 1.118 1159 S CA -0.590 57.609 58.200 -0.002 0.000 1.074 1159 S CB 1.229 64.369 63.200 -0.099 0.000 1.038 1159 S HN 0.694 nan 8.310 nan 0.000 0.498 1160 D N 1.906 122.301 120.400 -0.008 0.000 2.371 1160 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 1160 D C 0.731 177.019 176.300 -0.020 0.000 0.986 1160 D CA 0.884 54.883 54.000 -0.001 0.000 0.899 1160 D CB 0.163 40.978 40.800 0.026 0.000 0.902 1160 D HN 0.733 nan 8.370 nan 0.000 0.530 1161 T N -3.966 110.544 114.554 -0.073 0.000 2.906 1161 T HA 0.296 4.646 4.350 -0.000 0.000 0.295 1161 T C 0.433 175.081 174.700 -0.086 0.000 1.075 1161 T CA -0.898 61.175 62.100 -0.045 0.000 1.005 1161 T CB 1.232 70.065 68.868 -0.058 0.000 1.136 1161 T HN -0.110 nan 8.240 nan 0.000 0.498 1162 F N -0.010 119.813 119.950 -0.211 0.000 2.473 1162 F HA 0.240 4.767 4.527 -0.000 0.000 0.294 1162 F C 0.890 176.368 175.800 -0.535 0.000 1.103 1162 F CA 0.552 58.313 58.000 -0.399 0.000 1.442 1162 F CB -0.030 38.675 39.000 -0.491 0.000 1.097 1162 F HN 0.682 nan 8.300 nan 0.000 0.547 1163 Y N 0.809 121.067 120.300 -0.069 0.000 2.414 1163 Y HA 0.161 4.711 4.550 0.000 0.000 0.248 1163 Y C -0.443 175.282 175.900 -0.291 0.000 1.054 1163 Y CA 0.404 58.415 58.100 -0.149 0.000 1.156 1163 Y CB -1.838 36.625 38.460 0.005 0.000 1.051 1163 Y HN -0.241 nan 8.280 nan 0.000 0.485 1164 P HA -0.111 nan 4.420 nan 0.000 0.217 1164 P C 1.486 178.519 177.300 -0.446 0.000 1.150 1164 P CA 2.226 65.191 63.100 -0.226 0.000 0.832 1164 P CB -0.255 31.367 31.700 -0.130 0.000 0.787 1165 G N -0.074 108.365 108.800 -0.602 0.000 2.470 1165 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 1165 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 1165 G C 1.323 175.813 174.900 -0.683 0.000 1.121 1165 G CA 0.334 44.843 45.100 -0.986 0.000 0.766 1165 G HN 0.386 nan 8.290 nan 0.000 0.553 1166 Q N -0.539 118.831 119.800 -0.718 0.000 2.189 1166 Q HA 0.225 4.565 4.340 -0.000 0.000 0.221 1166 Q C -0.080 175.581 176.000 -0.566 0.000 0.848 1166 Q CA -0.313 54.815 55.803 -1.125 0.000 1.007 1166 Q CB 0.465 28.413 28.738 -1.318 0.000 1.116 1166 Q HN 0.543 nan 8.270 nan 0.000 0.481 1167 E N 1.620 121.616 120.200 -0.340 0.000 2.269 1167 E HA -0.243 4.107 4.350 -0.000 0.000 0.223 1167 E C -0.873 175.548 176.600 -0.299 0.000 1.244 1167 E CA 0.218 56.465 56.400 -0.256 0.000 0.713 1167 E CB -0.340 29.359 29.700 -0.003 0.000 1.178 1167 E HN 0.351 nan 8.360 nan 0.000 0.370 1168 R N 0.134 120.443 120.500 -0.318 0.000 2.265 1168 R HA 0.178 4.518 4.340 -0.000 0.000 0.314 1168 R C 0.293 176.459 176.300 -0.223 0.000 1.053 1168 R CA -0.152 55.850 56.100 -0.162 0.000 0.931 1168 R CB 0.481 30.748 30.300 -0.053 0.000 1.024 1168 R HN 0.204 nan 8.270 nan 0.000 0.457 1169 Y N -0.329 119.999 120.300 0.047 0.000 2.458 1169 Y HA 0.030 4.580 4.550 -0.000 0.000 0.254 1169 Y C 0.636 176.561 175.900 0.042 0.000 1.120 1169 Y CA -0.064 58.060 58.100 0.039 0.000 1.282 1169 Y CB 0.474 38.948 38.460 0.023 0.000 1.109 1169 Y HN 0.500 nan 8.280 nan 0.000 0.526 1170 D N 1.452 121.961 120.400 0.183 0.000 2.558 1170 D HA 0.156 4.796 4.640 -0.000 0.000 0.221 1170 D C -0.046 176.314 176.300 0.101 0.000 1.143 1170 D CA 0.155 54.236 54.000 0.136 0.000 1.010 1170 D CB -0.109 40.771 40.800 0.132 0.000 1.068 1170 D HN 0.245 nan 8.370 nan 0.000 0.511 1171 T N -1.438 113.142 114.554 0.044 0.000 2.696 1171 T HA 0.152 4.502 4.350 -0.000 0.000 0.291 1171 T C 0.908 175.608 174.700 -0.001 0.000 1.095 1171 T CA -0.818 61.258 62.100 -0.040 0.000 1.026 1171 T CB 0.282 69.100 68.868 -0.085 0.000 1.390 1171 T HN 0.145 nan 8.240 nan 0.000 0.513 1172 Y N 1.405 121.634 120.300 -0.118 0.000 2.128 1172 Y HA -0.147 4.403 4.550 -0.000 0.000 0.284 1172 Y C 2.750 178.628 175.900 -0.037 0.000 1.154 1172 Y CA 2.744 60.800 58.100 -0.074 0.000 1.149 1172 Y CB -0.240 38.167 38.460 -0.088 0.000 0.976 1172 Y HN 0.740 nan 8.280 nan 0.000 0.505 1173 S N -1.142 114.460 115.700 -0.164 0.000 2.439 1173 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 1173 S C 1.753 176.292 174.600 -0.102 0.000 1.029 1173 S CA 0.577 58.655 58.200 -0.203 0.000 0.946 1173 S CB -0.276 62.898 63.200 -0.043 0.000 0.797 1173 S HN 1.011 nan 8.310 nan 0.000 0.504 1174 G N 1.966 110.751 108.800 -0.026 0.000 2.147 1174 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 1174 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 1174 G C -0.052 174.940 174.900 0.154 0.000 1.005 1174 G CA 0.330 45.465 45.100 0.058 0.000 0.713 1174 G HN 1.015 nan 8.290 nan 0.000 0.515 1175 R N -1.558 119.003 120.500 0.103 0.000 2.774 1175 R HA 0.783 5.123 4.340 -0.000 0.000 0.272 1175 R C -1.478 174.843 176.300 0.034 0.000 1.000 1175 R CA -0.884 55.302 56.100 0.144 0.000 0.906 1175 R CB 1.905 32.262 30.300 0.096 0.000 1.227 1175 R HN 0.323 nan 8.270 nan 0.000 0.468 1176 V N 2.428 122.380 119.914 0.064 0.000 2.588 1176 V HA 0.267 4.387 4.120 -0.000 0.000 0.304 1176 V C 0.148 176.305 176.094 0.105 0.000 1.042 1176 V CA -1.040 61.253 62.300 -0.011 0.000 0.877 1176 V CB 1.674 33.382 31.823 -0.193 0.000 0.996 1176 V HN 0.678 nan 8.190 nan 0.000 0.425 1177 V N 6.019 126.014 119.914 0.134 0.000 2.752 1177 V HA -0.043 4.077 4.120 -0.000 0.000 0.306 1177 V C 1.984 178.187 176.094 0.181 0.000 1.099 1177 V CA 0.941 63.344 62.300 0.172 0.000 1.240 1177 V CB 0.634 32.591 31.823 0.225 0.000 0.887 1177 V HN 0.993 nan 8.190 nan 0.000 0.499 1178 R N 3.832 124.411 120.500 0.132 0.000 2.134 1178 R HA -0.288 4.052 4.340 -0.000 0.000 0.248 1178 R C 1.946 178.295 176.300 0.082 0.000 1.143 1178 R CA 2.841 58.999 56.100 0.098 0.000 0.957 1178 R CB -0.654 29.691 30.300 0.075 0.000 0.867 1178 R HN 1.011 nan 8.270 nan 0.000 0.441 1179 H N -0.917 118.140 119.070 -0.022 0.000 2.426 1179 H HA -0.156 4.400 4.556 -0.000 0.000 0.298 1179 H C 1.184 176.326 175.328 -0.311 0.000 1.107 1179 H CA 2.357 58.295 56.048 -0.184 0.000 1.298 1179 H CB -0.230 29.371 29.762 -0.268 0.000 1.377 1179 H HN 0.293 nan 8.280 nan 0.000 0.519 1180 F N -0.239 119.687 119.950 -0.041 0.000 2.695 1180 F HA 0.235 4.762 4.527 0.000 0.000 0.303 1180 F C 0.961 176.730 175.800 -0.053 0.000 1.091 1180 F CA -0.273 57.676 58.000 -0.084 0.000 1.300 1180 F CB 0.321 39.325 39.000 0.007 0.000 1.071 1180 F HN -0.153 nan 8.300 nan 0.000 0.578 1181 K N 0.595 121.061 120.400 0.111 0.000 2.436 1181 K HA 0.248 4.568 4.320 -0.000 0.000 0.282 1181 K C 1.159 177.784 176.600 0.042 0.000 1.044 1181 K CA 0.941 57.303 56.287 0.124 0.000 1.028 1181 K CB 0.119 32.689 32.500 0.117 0.000 0.919 1181 K HN 0.369 nan 8.250 nan 0.000 0.474 1182 G N 2.186 111.030 108.800 0.073 0.000 2.162 1182 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 1182 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 1182 G C 0.803 175.639 174.900 -0.107 0.000 0.976 1182 G CA 0.851 45.946 45.100 -0.008 0.000 0.655 1182 G HN 0.726 nan 8.290 nan 0.000 0.533 1183 S N -0.741 114.898 115.700 -0.100 0.000 2.406 1183 S HA 0.056 4.526 4.470 -0.000 0.000 0.228 1183 S C 2.245 176.628 174.600 -0.361 0.000 1.020 1183 S CA 1.612 59.623 58.200 -0.316 0.000 0.965 1183 S CB -0.225 62.938 63.200 -0.063 0.000 0.798 1183 S HN 0.744 nan 8.310 nan 0.000 0.488 1184 M N 1.499 121.115 119.600 0.028 0.000 2.132 1184 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 1184 M C 2.338 178.658 176.300 0.033 0.000 1.065 1184 M CA 1.935 57.347 55.300 0.187 0.000 1.122 1184 M CB -0.235 32.543 32.600 0.297 0.000 1.365 1184 M HN 0.498 nan 8.290 nan 0.000 0.411 1185 E N 0.063 120.249 120.200 -0.023 0.000 2.110 1185 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 1185 E C 1.805 178.343 176.600 -0.103 0.000 0.988 1185 E CA 1.279 57.655 56.400 -0.039 0.000 0.804 1185 E CB -0.024 29.655 29.700 -0.034 0.000 0.745 1185 E HN 0.557 nan 8.360 nan 0.000 0.458 1186 E N -0.135 119.915 120.200 -0.250 0.000 2.051 1186 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 1186 E C 1.850 178.328 176.600 -0.204 0.000 0.991 1186 E CA 1.323 57.527 56.400 -0.328 0.000 0.799 1186 E CB -0.291 29.064 29.700 -0.575 0.000 0.748 1186 E HN 0.501 nan 8.360 nan 0.000 0.449 1187 W N 1.319 122.610 121.300 -0.016 0.000 2.358 1187 W HA -0.174 4.487 4.660 0.000 0.000 0.303 1187 W C 2.593 179.073 176.519 -0.064 0.000 1.208 1187 W CA 0.273 57.585 57.345 -0.056 0.000 1.274 1187 W CB -0.364 29.020 29.460 -0.126 0.000 1.138 1187 W HN 0.183 nan 8.180 nan 0.000 0.515 1188 Q N 0.586 120.464 119.800 0.130 0.000 2.045 1188 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 1188 Q C 2.471 178.505 176.000 0.057 0.000 0.991 1188 Q CA 2.416 58.258 55.803 0.066 0.000 0.851 1188 Q CB -0.539 28.223 28.738 0.039 0.000 0.911 1188 Q HN 0.299 nan 8.270 nan 0.000 0.418 1189 A N -0.127 122.714 122.820 0.035 0.000 2.015 1189 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 1189 A C 1.778 179.389 177.584 0.045 0.000 1.163 1189 A CA 1.183 53.235 52.037 0.025 0.000 0.646 1189 A CB -0.313 18.685 19.000 -0.003 0.000 0.806 1189 A HN 0.387 nan 8.150 nan 0.000 0.448 1190 M N -1.253 118.394 119.600 0.079 0.000 2.561 1190 M HA 0.169 4.649 4.480 -0.000 0.000 0.238 1190 M C 1.316 177.669 176.300 0.088 0.000 1.131 1190 M CA 0.754 56.114 55.300 0.099 0.000 1.046 1190 M CB 0.264 32.967 32.600 0.173 0.000 1.532 1190 M HN 0.617 nan 8.290 nan 0.000 0.497 1191 G N 0.334 109.180 108.800 0.077 0.000 2.175 1191 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 1191 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 1191 G C 0.115 175.043 174.900 0.048 0.000 0.982 1191 G CA -0.202 44.937 45.100 0.065 0.000 0.641 1191 G HN 0.298 nan 8.290 nan 0.000 0.527 1192 V N 1.851 121.791 119.914 0.044 0.000 2.673 1192 V HA 0.203 4.323 4.120 -0.000 0.000 0.303 1192 V C 1.854 177.907 176.094 -0.068 0.000 1.046 1192 V CA 1.226 63.511 62.300 -0.025 0.000 1.126 1192 V CB 1.248 33.042 31.823 -0.048 0.000 0.934 1192 V HN 0.393 nan 8.190 nan 0.000 0.487 1193 M N 3.027 122.569 119.600 -0.097 0.000 2.287 1193 M HA 0.116 4.596 4.480 -0.000 0.000 0.266 1193 M C 0.620 176.826 176.300 -0.158 0.000 1.079 1193 M CA 1.004 56.232 55.300 -0.120 0.000 1.146 1193 M CB 0.049 32.596 32.600 -0.089 0.000 1.374 1193 M HN 0.966 nan 8.290 nan 0.000 0.435 1194 N N -1.684 116.905 118.700 -0.186 0.000 3.185 1194 N HA 0.157 4.897 4.740 -0.000 0.000 0.238 1194 N C -1.980 173.392 175.510 -0.229 0.000 1.451 1194 N CA -0.673 52.276 53.050 -0.169 0.000 0.888 1194 N CB 1.170 39.609 38.487 -0.081 0.000 1.413 1194 N HN 0.006 nan 8.380 nan 0.000 0.511 1195 Y N -0.385 119.866 120.300 -0.082 0.000 2.377 1195 Y HA 0.450 5.000 4.550 -0.000 0.000 0.339 1195 Y C 0.285 176.133 175.900 -0.087 0.000 1.011 1195 Y CA -0.324 57.713 58.100 -0.104 0.000 1.093 1195 Y CB 1.734 40.116 38.460 -0.130 0.000 1.201 1195 Y HN 0.772 nan 8.280 nan 0.000 0.455 1196 E N 0.368 120.632 120.200 0.107 0.000 2.391 1196 E HA 0.481 4.831 4.350 -0.000 0.000 0.256 1196 E C -1.008 175.616 176.600 0.041 0.000 0.975 1196 E CA -0.801 55.634 56.400 0.059 0.000 0.881 1196 E CB 1.135 30.857 29.700 0.036 0.000 1.728 1196 E HN 0.535 nan 8.360 nan 0.000 0.446 1197 M N -0.505 119.113 119.600 0.031 0.000 2.347 1197 M HA 0.348 4.828 4.480 -0.000 0.000 0.324 1197 M C -0.157 176.151 176.300 0.013 0.000 1.028 1197 M CA 0.233 55.546 55.300 0.021 0.000 0.988 1197 M CB 0.659 33.276 32.600 0.027 0.000 1.528 1197 M HN 0.513 nan 8.290 nan 0.000 0.550 1198 E N -0.843 119.363 120.200 0.010 0.000 2.535 1198 E HA 0.066 4.416 4.350 -0.000 0.000 0.216 1198 E C 1.804 178.400 176.600 -0.008 0.000 0.845 1198 E CA 0.542 56.944 56.400 0.002 0.000 1.306 1198 E CB 0.423 30.126 29.700 0.006 0.000 1.291 1198 E HN 0.302 nan 8.360 nan 0.000 0.635 1199 S N 0.776 116.473 115.700 -0.005 0.000 2.383 1199 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 1199 S C 2.222 176.814 174.600 -0.014 0.000 1.026 1199 S CA 0.889 59.082 58.200 -0.011 0.000 0.981 1199 S CB -0.258 62.937 63.200 -0.008 0.000 0.818 1199 S HN 0.224 nan 8.310 nan 0.000 0.472 1200 A N 1.899 124.715 122.820 -0.006 0.000 1.883 1200 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 1200 A C 2.441 180.027 177.584 0.003 0.000 1.186 1200 A CA 2.218 54.259 52.037 0.007 0.000 0.624 1200 A CB -1.698 17.313 19.000 0.017 0.000 0.822 1200 A HN 0.563 nan 8.150 nan 0.000 0.444 1201 T N -0.098 114.451 114.554 -0.008 0.000 2.737 1201 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 1201 T C 1.867 176.491 174.700 -0.126 0.000 1.038 1201 T CA 1.441 63.524 62.100 -0.029 0.000 1.144 1201 T CB -0.399 68.463 68.868 -0.010 0.000 0.866 1201 T HN 0.335 nan 8.240 nan 0.000 0.434 1202 L N 1.163 122.317 121.223 -0.115 0.000 1.970 1202 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 1202 L C 2.191 178.965 176.870 -0.160 0.000 1.071 1202 L CA 1.755 56.493 54.840 -0.170 0.000 0.751 1202 L CB -0.754 41.241 42.059 -0.106 0.000 0.889 1202 L HN 0.242 nan 8.230 nan 0.000 0.432 1203 L N -1.320 119.858 121.223 -0.074 0.000 2.093 1203 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 1203 L C 2.329 179.190 176.870 -0.015 0.000 1.085 1203 L CA 1.567 56.391 54.840 -0.026 0.000 0.755 1203 L CB -1.095 40.974 42.059 0.017 0.000 0.904 1203 L HN 0.323 nan 8.230 nan 0.000 0.435 1204 T N 0.567 115.103 114.554 -0.029 0.000 2.737 1204 T HA -0.192 4.158 4.350 -0.000 0.000 0.265 1204 T C 1.870 176.448 174.700 -0.205 0.000 1.038 1204 T CA 1.815 63.901 62.100 -0.024 0.000 1.144 1204 T CB -0.201 68.681 68.868 0.024 0.000 0.866 1204 T HN 0.440 nan 8.240 nan 0.000 0.434 1205 M N 0.200 119.555 119.600 -0.408 0.000 2.229 1205 M HA 0.005 4.485 4.480 -0.000 0.000 0.264 1205 M C 2.198 178.227 176.300 -0.452 0.000 1.063 1205 M CA 1.424 56.253 55.300 -0.784 0.000 1.114 1205 M CB -1.051 30.587 32.600 -1.603 0.000 1.387 1205 M HN 0.178 nan 8.290 nan 0.000 0.420 1206 C N 1.474 120.596 119.300 -0.296 0.000 2.500 1206 C HA 0.162 4.622 4.460 -0.000 0.000 0.279 1206 C C 3.279 178.243 174.990 -0.043 0.000 1.288 1206 C CA 0.997 59.923 59.018 -0.154 0.000 1.710 1206 C CB -1.153 26.531 27.740 -0.094 0.000 2.052 1206 C HN 0.760 nan 8.230 nan 0.000 0.488 1207 A N 1.037 123.865 122.820 0.013 0.000 2.024 1207 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 1207 A C 2.121 179.791 177.584 0.143 0.000 1.164 1207 A CA 2.170 54.291 52.037 0.139 0.000 0.643 1207 A CB -0.574 18.597 19.000 0.285 0.000 0.806 1207 A HN 0.727 nan 8.150 nan 0.000 0.451 1208 S N -2.105 113.558 115.700 -0.061 0.000 2.577 1208 S HA 0.205 4.675 4.470 -0.000 0.000 0.219 1208 S C 0.847 175.407 174.600 -0.065 0.000 0.962 1208 S CA 0.157 58.252 58.200 -0.175 0.000 0.921 1208 S CB 0.110 62.995 63.200 -0.526 0.000 0.789 1208 S HN 0.628 nan 8.310 nan 0.000 0.497 1209 Q N 0.229 120.010 119.800 -0.032 0.000 2.057 1209 Q HA 0.342 4.682 4.340 -0.000 0.000 0.216 1209 Q C 0.663 176.678 176.000 0.027 0.000 0.788 1209 Q CA 0.060 55.861 55.803 -0.004 0.000 1.053 1209 Q CB 1.102 29.824 28.738 -0.027 0.000 1.210 1209 Q HN 0.619 nan 8.270 nan 0.000 0.455 1210 G N 1.449 110.276 108.800 0.044 0.000 2.153 1210 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 1210 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 1210 G C -0.059 174.884 174.900 0.071 0.000 0.994 1210 G CA 0.166 45.302 45.100 0.060 0.000 0.698 1210 G HN 0.264 nan 8.290 nan 0.000 0.521 1211 L N -0.172 121.097 121.223 0.077 0.000 2.322 1211 L HA 0.603 4.943 4.340 -0.000 0.000 0.279 1211 L C 1.009 177.960 176.870 0.134 0.000 1.036 1211 L CA -1.053 53.866 54.840 0.132 0.000 0.807 1211 L CB 1.230 43.397 42.059 0.180 0.000 1.226 1211 L HN 0.056 nan 8.230 nan 0.000 0.433 1212 R N 2.057 122.648 120.500 0.152 0.000 2.297 1212 R HA 0.732 5.072 4.340 -0.000 0.000 0.308 1212 R C -0.638 175.765 176.300 0.172 0.000 1.029 1212 R CA -0.418 55.757 56.100 0.125 0.000 0.929 1212 R CB 1.480 31.828 30.300 0.080 0.000 1.046 1212 R HN 0.722 nan 8.270 nan 0.000 0.461 1213 A N 1.531 124.427 122.820 0.126 0.000 2.475 1213 A HA 0.809 5.129 4.320 -0.000 0.000 0.301 1213 A C -0.734 176.894 177.584 0.074 0.000 1.059 1213 A CA -0.647 51.465 52.037 0.124 0.000 0.710 1213 A CB 2.211 21.261 19.000 0.083 0.000 1.288 1213 A HN 0.762 nan 8.150 nan 0.000 0.408 1214 G N 0.543 109.382 108.800 0.065 0.000 2.642 1214 G HA2 0.635 4.595 3.960 -0.000 0.000 0.293 1214 G HA3 0.635 4.595 3.960 -0.000 0.000 0.293 1214 G C -1.228 173.692 174.900 0.034 0.000 1.341 1214 G CA -0.476 44.645 45.100 0.035 0.000 0.916 1214 G HN 0.572 nan 8.290 nan 0.000 0.474 1215 M N 1.243 120.856 119.600 0.021 0.000 2.326 1215 M HA 0.577 5.057 4.480 -0.000 0.000 0.292 1215 M C -1.588 174.721 176.300 0.014 0.000 1.081 1215 M CA -0.805 54.507 55.300 0.019 0.000 0.919 1215 M CB 1.870 34.479 32.600 0.015 0.000 1.634 1215 M HN 0.467 nan 8.290 nan 0.000 0.451 1216 V N 3.112 123.035 119.914 0.016 0.000 2.888 1216 V HA 0.977 5.097 4.120 -0.000 0.000 0.309 1216 V C -1.519 174.587 176.094 0.020 0.000 1.114 1216 V CA -0.260 62.049 62.300 0.016 0.000 0.940 1216 V CB 2.003 33.832 31.823 0.011 0.000 1.021 1216 V HN 1.010 nan 8.190 nan 0.000 0.426 1217 A N 3.854 126.688 122.820 0.023 0.000 2.539 1217 A HA 0.939 5.259 4.320 -0.000 0.000 0.296 1217 A C -0.220 177.382 177.584 0.031 0.000 1.073 1217 A CA -0.160 51.892 52.037 0.024 0.000 0.700 1217 A CB 1.921 20.933 19.000 0.020 0.000 1.296 1217 A HN 1.559 nan 8.150 nan 0.000 0.405 1218 G N -0.105 108.712 108.800 0.029 0.000 2.348 1218 G HA2 0.527 4.487 3.960 -0.000 0.000 0.312 1218 G HA3 0.527 4.487 3.960 -0.000 0.000 0.312 1218 G C -0.569 174.342 174.900 0.019 0.000 1.126 1218 G CA -0.377 44.741 45.100 0.030 0.000 0.865 1218 G HN 0.908 nan 8.290 nan 0.000 0.474 1219 V N 3.409 123.333 119.914 0.017 0.000 2.427 1219 V HA 0.106 4.226 4.120 -0.000 0.000 0.268 1219 V C 1.285 177.379 176.094 0.000 0.000 1.046 1219 V CA 0.022 62.325 62.300 0.005 0.000 0.970 1219 V CB 0.555 32.376 31.823 -0.003 0.000 1.001 1219 V HN 0.768 nan 8.190 nan 0.000 0.476 1220 I N 3.499 124.072 120.570 0.005 0.000 3.526 1220 I HA 0.432 4.602 4.170 -0.000 0.000 0.294 1220 I C 0.443 176.564 176.117 0.007 0.000 1.229 1220 I CA 0.574 61.877 61.300 0.005 0.000 1.408 1220 I CB 0.718 38.725 38.000 0.012 0.000 1.127 1220 I HN 0.413 nan 8.210 nan 0.000 0.439 1221 V N 1.140 121.058 119.914 0.007 0.000 3.087 1221 V HA 0.458 4.578 4.120 -0.000 0.000 0.306 1221 V C -1.671 174.420 176.094 -0.005 0.000 1.187 1221 V CA -0.658 61.646 62.300 0.006 0.000 0.999 1221 V CB 2.372 34.205 31.823 0.018 0.000 1.049 1221 V HN 0.344 nan 8.190 nan 0.000 0.431 1222 N N 3.936 122.632 118.700 -0.006 0.000 2.446 1222 N HA 0.365 5.105 4.740 -0.000 0.000 0.265 1222 N C 0.588 176.097 175.510 -0.000 0.000 0.975 1222 N CA -0.595 52.447 53.050 -0.014 0.000 0.928 1222 N CB 1.648 40.119 38.487 -0.026 0.000 1.160 1222 N HN 0.567 nan 8.380 nan 0.000 0.495 1223 R N 0.771 121.276 120.500 0.007 0.000 2.285 1223 R HA -0.050 4.290 4.340 -0.000 0.000 0.213 1223 R C 1.358 177.676 176.300 0.029 0.000 1.068 1223 R CA 0.861 56.977 56.100 0.026 0.000 1.004 1223 R CB -0.690 29.645 30.300 0.059 0.000 0.873 1223 R HN 0.647 nan 8.270 nan 0.000 0.467 1224 T N -1.577 112.987 114.554 0.016 0.000 3.160 1224 T HA -0.004 4.346 4.350 -0.000 0.000 0.257 1224 T C 1.326 176.036 174.700 0.016 0.000 1.147 1224 T CA 0.432 62.543 62.100 0.017 0.000 1.064 1224 T CB 0.136 69.009 68.868 0.009 0.000 0.949 1224 T HN 0.343 nan 8.240 nan 0.000 0.526 1225 Q N -0.850 118.960 119.800 0.016 0.000 2.215 1225 Q HA 0.357 4.697 4.340 -0.000 0.000 0.257 1225 Q C 0.199 176.212 176.000 0.022 0.000 0.792 1225 Q CA -0.174 55.639 55.803 0.017 0.000 0.958 1225 Q CB 0.844 29.590 28.738 0.012 0.000 1.158 1225 Q HN 0.487 nan 8.270 nan 0.000 0.490 1226 Q N -0.297 119.518 119.800 0.024 0.000 2.435 1226 Q HA 0.282 4.622 4.340 -0.000 0.000 0.282 1226 Q C -0.461 175.555 176.000 0.028 0.000 1.020 1226 Q CA -0.207 55.614 55.803 0.029 0.000 0.820 1226 Q CB 2.765 31.519 28.738 0.027 0.000 1.436 1226 Q HN 0.051 nan 8.270 nan 0.000 0.395 1227 E N 0.796 121.019 120.200 0.037 0.000 2.038 1227 E HA 0.104 4.454 4.350 -0.000 0.000 0.190 1227 E C 0.157 176.773 176.600 0.027 0.000 0.967 1227 E CA 0.416 56.828 56.400 0.020 0.000 0.816 1227 E CB 0.489 30.221 29.700 0.053 0.000 0.784 1227 E HN 0.358 nan 8.360 nan 0.000 0.456 1228 I N 3.366 123.984 120.570 0.080 0.000 2.371 1228 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 1228 I C -1.893 174.272 176.117 0.080 0.000 1.028 1228 I CA -2.165 59.206 61.300 0.118 0.000 1.345 1228 I CB 0.103 38.184 38.000 0.136 0.000 1.407 1228 I HN -0.038 nan 8.210 nan 0.000 0.501 1235 K N 0.772 121.154 120.400 -0.029 0.000 2.211 1235 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 1235 K C 1.552 178.136 176.600 -0.027 0.000 1.050 1235 K CA 1.503 57.776 56.287 -0.024 0.000 0.945 1235 K CB 0.078 32.566 32.500 -0.020 0.000 0.732 1235 K HN 0.516 nan 8.250 nan 0.000 0.451 1236 Q N -0.604 119.170 119.800 -0.044 0.000 2.378 1236 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 1236 Q C 1.400 177.329 176.000 -0.118 0.000 0.954 1236 Q CA 1.039 56.806 55.803 -0.060 0.000 0.901 1236 Q CB 0.427 29.116 28.738 -0.081 0.000 0.981 1236 Q HN 0.329 nan 8.270 nan 0.000 0.483 1237 T N 1.099 115.586 114.554 -0.111 0.000 2.770 1237 T HA -0.163 4.187 4.350 -0.000 0.000 0.263 1237 T C 1.593 176.288 174.700 -0.008 0.000 1.039 1237 T CA 1.597 63.632 62.100 -0.109 0.000 1.142 1237 T CB -0.085 68.740 68.868 -0.071 0.000 0.868 1237 T HN 0.544 nan 8.240 nan 0.000 0.435 1238 E N 0.903 121.103 120.200 -0.000 0.000 2.208 1238 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 1238 E C 2.247 178.867 176.600 0.033 0.000 0.988 1238 E CA 0.986 57.397 56.400 0.017 0.000 0.828 1238 E CB -0.321 29.380 29.700 0.001 0.000 0.763 1238 E HN 0.168 nan 8.360 nan 0.000 0.478 1239 S N -0.084 115.639 115.700 0.038 0.000 2.382 1239 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 1239 S C 1.704 176.380 174.600 0.127 0.000 1.027 1239 S CA 1.112 59.349 58.200 0.062 0.000 0.991 1239 S CB -0.397 62.839 63.200 0.060 0.000 0.823 1239 S HN 0.469 nan 8.310 nan 0.000 0.469 1240 H N 0.046 119.108 119.070 -0.013 0.000 2.299 1240 H HA -0.020 4.536 4.556 -0.000 0.000 0.302 1240 H C 2.484 177.805 175.328 -0.012 0.000 1.078 1240 H CA 1.067 57.108 56.048 -0.012 0.000 1.323 1240 H CB -0.165 29.592 29.762 -0.008 0.000 1.381 1240 H HN 0.466 nan 8.280 nan 0.000 0.498 1241 A N 0.603 123.501 122.820 0.129 0.000 1.908 1241 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 1241 A C 2.673 180.273 177.584 0.026 0.000 1.181 1241 A CA 1.570 53.643 52.037 0.059 0.000 0.627 1241 A CB -0.863 18.166 19.000 0.049 0.000 0.818 1241 A HN 0.208 nan 8.150 nan 0.000 0.445 1242 V N -0.196 119.732 119.914 0.023 0.000 2.295 1242 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 1242 V C 2.507 178.596 176.094 -0.009 0.000 1.049 1242 V CA 2.452 64.753 62.300 0.002 0.000 1.024 1242 V CB -0.657 31.161 31.823 -0.007 0.000 0.648 1242 V HN 0.591 nan 8.190 nan 0.000 0.447 1243 K N -0.238 120.157 120.400 -0.009 0.000 2.074 1243 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 1243 K C 1.941 178.517 176.600 -0.040 0.000 1.048 1243 K CA 1.747 58.015 56.287 -0.031 0.000 0.926 1243 K CB -0.321 32.147 32.500 -0.052 0.000 0.713 1243 K HN 0.411 nan 8.250 nan 0.000 0.444 1244 I N -0.486 120.062 120.570 -0.037 0.000 2.252 1244 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 1244 I C 2.161 178.261 176.117 -0.027 0.000 1.102 1244 I CA 0.836 62.113 61.300 -0.039 0.000 1.385 1244 I CB -0.164 37.817 38.000 -0.031 0.000 1.064 1244 I HN 0.031 nan 8.210 nan 0.000 0.414 1245 V N 0.261 120.165 119.914 -0.016 0.000 2.427 1245 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 1245 V C 2.345 178.429 176.094 -0.017 0.000 1.051 1245 V CA 1.578 63.871 62.300 -0.012 0.000 1.048 1245 V CB 0.172 31.994 31.823 -0.002 0.000 0.666 1245 V HN 0.206 nan 8.190 nan 0.000 0.456 1246 V N 0.043 119.945 119.914 -0.020 0.000 2.307 1246 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 1246 V C 2.524 178.603 176.094 -0.025 0.000 1.045 1246 V CA 2.244 64.531 62.300 -0.021 0.000 1.024 1246 V CB -0.644 31.166 31.823 -0.023 0.000 0.651 1246 V HN 0.665 nan 8.190 nan 0.000 0.449 1247 E N 0.785 120.967 120.200 -0.030 0.000 2.150 1247 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 1247 E C 2.044 178.624 176.600 -0.034 0.000 0.985 1247 E CA 1.526 57.906 56.400 -0.034 0.000 0.814 1247 E CB -0.385 29.290 29.700 -0.041 0.000 0.752 1247 E HN 0.517 nan 8.360 nan 0.000 0.466 1248 A N 0.806 123.606 122.820 -0.033 0.000 1.898 1248 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 1248 A C 2.468 180.033 177.584 -0.032 0.000 1.181 1248 A CA 1.812 53.828 52.037 -0.036 0.000 0.620 1248 A CB -1.043 17.937 19.000 -0.034 0.000 0.819 1248 A HN 0.377 nan 8.150 nan 0.000 0.442 1249 A N -0.196 122.608 122.820 -0.027 0.000 1.917 1249 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 1249 A C 2.217 179.785 177.584 -0.027 0.000 1.182 1249 A CA 1.968 53.989 52.037 -0.027 0.000 0.633 1249 A CB -0.542 18.443 19.000 -0.024 0.000 0.819 1249 A HN 0.531 nan 8.150 nan 0.000 0.448 1250 R N -0.841 119.643 120.500 -0.026 0.000 2.103 1250 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 1250 R C 2.330 178.616 176.300 -0.025 0.000 1.142 1250 R CA 1.989 58.075 56.100 -0.023 0.000 0.960 1250 R CB -0.196 30.090 30.300 -0.023 0.000 0.858 1250 R HN 0.539 nan 8.270 nan 0.000 0.439 1251 R N -0.435 120.048 120.500 -0.029 0.000 2.236 1251 R HA 0.028 4.368 4.340 -0.000 0.000 0.208 1251 R C 1.455 177.738 176.300 -0.029 0.000 1.036 1251 R CA 0.621 56.703 56.100 -0.030 0.000 1.001 1251 R CB 0.191 30.468 30.300 -0.037 0.000 0.896 1251 R HN 0.211 nan 8.270 nan 0.000 0.464 1252 L N 0.275 121.481 121.223 -0.029 0.000 2.640 1252 L HA 0.198 4.538 4.340 -0.000 0.000 0.230 1252 L C 0.454 177.309 176.870 -0.026 0.000 1.123 1252 L CA -0.200 54.623 54.840 -0.028 0.000 0.900 1252 L CB 0.150 42.190 42.059 -0.031 0.000 1.146 1252 L HN 0.056 nan 8.230 nan 0.000 0.484 1253 L N 0.000 121.208 121.223 -0.024 0.000 2.949 1253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502