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 1i1m_1_C DATA FIRST_RESID 1004 DATA SEQUENCE KADYIWFNGE MVRWEDAKVH VMSHALHYGT SVFEGIRCYD SHKGPVVFRH DATA SEQUENCE REHMQRLHDS AKIYRFPVSQ SIDELMEACR DVIRKNNLTS AYIRPLIFVG DATA SEQUENCE DVGMGVNPPA GYSTDVIIAA FPWGAYLGAE ALEQGIDAMV SSWNRAAPNT DATA SEQUENCE IPTAAKAGGN YLSSLLVGSE ARRHGYQEGI ALDVNGYISE GAGENLFEVK DATA SEQUENCE DGVLFTPPFT SSALPGITRD AIIKLAKELG IEVREQVLSR ESLYLADEVF DATA SEQUENCE MSGTAAEITP VRSVDGIQVG EGRCGPVTKR IQQAFFGLFT GETEDKWGWL DATA SEQUENCE DQVN 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1004 K C 0.000 176.154 176.600 -0.743 0.000 0.988 1004 K CA 0.000 55.629 56.287 -1.097 0.000 0.838 1004 K CB 0.000 31.882 32.500 -1.031 0.000 1.064 1005 A N 1.304 123.562 122.820 -0.936 0.000 2.525 1005 A HA 0.490 4.810 4.320 -0.000 0.000 0.291 1005 A C -0.477 177.017 177.584 -0.150 0.000 1.268 1005 A CA -0.421 51.464 52.037 -0.254 0.000 0.712 1005 A CB 0.996 20.065 19.000 0.114 0.000 1.320 1005 A HN 0.759 nan 8.150 nan 0.000 0.456 1006 D N -1.302 119.130 120.400 0.053 0.000 2.216 1006 D HA 0.142 4.782 4.640 -0.000 0.000 0.208 1006 D C -0.512 175.729 176.300 -0.098 0.000 0.960 1006 D CA 1.772 55.753 54.000 -0.032 0.000 0.861 1006 D CB 0.114 40.901 40.800 -0.023 0.000 0.985 1006 D HN 0.441 nan 8.370 nan 0.000 0.493 1007 Y N -0.580 119.885 120.300 0.275 0.000 2.570 1007 Y HA 0.545 5.095 4.550 -0.000 0.000 0.345 1007 Y C -0.083 175.995 175.900 0.296 0.000 1.014 1007 Y CA -0.897 57.360 58.100 0.262 0.000 1.063 1007 Y CB 2.210 40.784 38.460 0.190 0.000 1.272 1007 Y HN -0.332 nan 8.280 nan 0.000 0.477 1008 I N 0.681 121.488 120.570 0.395 0.000 2.569 1008 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 1008 I C -1.472 174.845 176.117 0.332 0.000 1.088 1008 I CA -0.754 60.711 61.300 0.274 0.000 1.047 1008 I CB 1.984 40.000 38.000 0.027 0.000 1.237 1008 I HN 0.652 nan 8.210 nan 0.000 0.421 1009 W N 7.674 129.059 121.300 0.141 0.000 2.419 1009 W HA 0.335 4.995 4.660 -0.000 0.000 0.312 1009 W C -1.317 175.314 176.519 0.186 0.000 1.323 1009 W CA -0.116 57.320 57.345 0.151 0.000 1.293 1009 W CB 0.483 30.010 29.460 0.113 0.000 1.324 1009 W HN 0.311 nan 8.180 nan 0.000 0.512 1010 F N 8.361 128.158 119.950 -0.254 0.000 2.577 1010 F HA 0.154 4.681 4.527 0.000 0.000 0.344 1010 F C 0.242 175.713 175.800 -0.548 0.000 1.145 1010 F CA -1.107 56.746 58.000 -0.245 0.000 0.996 1010 F CB 0.668 39.603 39.000 -0.108 0.000 1.248 1010 F HN 0.422 nan 8.300 nan 0.000 0.447 1011 N N 4.088 122.655 118.700 -0.222 0.000 2.727 1011 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 1011 N C 0.728 175.832 175.510 -0.676 0.000 1.048 1011 N CA 1.527 54.346 53.050 -0.385 0.000 0.714 1011 N CB -1.123 37.260 38.487 -0.174 0.000 0.959 1011 N HN 1.173 nan 8.380 nan 0.000 0.544 1012 G N -1.054 106.840 108.800 -1.510 0.000 2.234 1012 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.235 1012 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.235 1012 G C -0.284 174.237 174.900 -0.632 0.000 0.997 1012 G CA 0.459 45.058 45.100 -0.836 0.000 0.623 1012 G HN 0.747 nan 8.290 nan 0.000 0.514 1013 E N 0.785 120.603 120.200 -0.637 0.000 2.238 1013 E HA 0.731 5.081 4.350 -0.000 0.000 0.267 1013 E C -0.094 176.393 176.600 -0.187 0.000 0.887 1013 E CA -1.405 54.818 56.400 -0.295 0.000 0.769 1013 E CB 1.317 30.907 29.700 -0.185 0.000 1.187 1013 E HN 0.024 nan 8.360 nan 0.000 0.416 1014 M N 2.572 122.165 119.600 -0.012 0.000 2.194 1014 M HA 0.215 4.695 4.480 -0.000 0.000 0.347 1014 M C -0.563 175.862 176.300 0.209 0.000 1.439 1014 M CA -0.386 54.992 55.300 0.130 0.000 1.131 1014 M CB 0.402 33.031 32.600 0.049 0.000 1.733 1014 M HN 0.427 nan 8.290 nan 0.000 0.467 1015 V N 4.913 124.991 119.914 0.274 0.000 2.715 1015 V HA 0.480 4.600 4.120 -0.000 0.000 0.310 1015 V C 0.502 176.758 176.094 0.270 0.000 1.054 1015 V CA -1.112 61.331 62.300 0.239 0.000 0.928 1015 V CB 2.204 34.134 31.823 0.178 0.000 1.007 1015 V HN 0.735 nan 8.190 nan 0.000 0.437 1016 R N 2.359 122.932 120.500 0.123 0.000 2.590 1016 R HA 0.011 4.351 4.340 -0.000 0.000 0.274 1016 R C 1.092 177.429 176.300 0.061 0.000 1.061 1016 R CA -0.347 55.705 56.100 -0.080 0.000 1.081 1016 R CB 0.648 30.882 30.300 -0.110 0.000 0.984 1016 R HN 0.942 nan 8.270 nan 0.000 0.448 1017 W N 3.421 124.649 121.300 -0.119 0.000 2.290 1017 W HA -0.316 4.344 4.660 -0.000 0.000 0.323 1017 W C 0.866 177.360 176.519 -0.042 0.000 1.260 1017 W CA 2.279 59.592 57.345 -0.054 0.000 1.266 1017 W CB -0.025 29.387 29.460 -0.080 0.000 1.149 1017 W HN 0.650 nan 8.180 nan 0.000 0.482 1018 E N 0.038 120.393 120.200 0.259 0.000 2.209 1018 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 1018 E C 1.371 178.000 176.600 0.049 0.000 0.993 1018 E CA 1.787 58.278 56.400 0.151 0.000 0.819 1018 E CB -0.600 29.162 29.700 0.102 0.000 0.745 1018 E HN 0.220 nan 8.360 nan 0.000 0.477 1019 D N -0.221 120.202 120.400 0.038 0.000 2.339 1019 D HA 0.091 4.731 4.640 -0.000 0.000 0.217 1019 D C 0.071 176.406 176.300 0.058 0.000 1.050 1019 D CA 0.323 54.344 54.000 0.035 0.000 0.856 1019 D CB 0.146 40.968 40.800 0.037 0.000 0.922 1019 D HN 0.112 nan 8.370 nan 0.000 0.518 1020 A N 1.377 124.214 122.820 0.028 0.000 3.026 1020 A HA 0.155 4.475 4.320 -0.000 0.000 0.272 1020 A C 0.405 178.014 177.584 0.042 0.000 1.782 1020 A CA 0.013 52.107 52.037 0.095 0.000 1.451 1020 A CB -0.495 18.438 19.000 -0.112 0.000 1.081 1020 A HN -0.066 nan 8.150 nan 0.000 0.611 1021 K N -0.250 120.235 120.400 0.142 0.000 2.238 1021 K HA 0.748 5.068 4.320 -0.000 0.000 0.239 1021 K C -0.975 175.743 176.600 0.196 0.000 0.987 1021 K CA -0.691 55.645 56.287 0.082 0.000 0.857 1021 K CB 2.518 35.037 32.500 0.031 0.000 1.154 1021 K HN 0.223 nan 8.250 nan 0.000 0.439 1022 V N 0.880 120.866 119.914 0.120 0.000 3.049 1022 V HA 0.220 4.340 4.120 -0.000 0.000 0.309 1022 V C -1.233 174.936 176.094 0.125 0.000 1.148 1022 V CA -0.746 61.673 62.300 0.199 0.000 0.990 1022 V CB 1.919 33.883 31.823 0.235 0.000 1.039 1022 V HN 0.846 nan 8.190 nan 0.000 0.430 1023 H N 2.240 121.366 119.070 0.093 0.000 2.871 1023 H HA 0.179 4.735 4.556 -0.000 0.000 0.355 1023 H C 0.788 176.147 175.328 0.051 0.000 1.092 1023 H CA 1.341 57.423 56.048 0.058 0.000 1.420 1023 H CB 1.697 31.491 29.762 0.053 0.000 1.400 1023 H HN 0.406 nan 8.280 nan 0.000 0.604 1024 V N 4.692 124.393 119.914 -0.356 0.000 3.241 1024 V HA -0.128 3.992 4.120 -0.000 0.000 0.269 1024 V C 0.997 177.188 176.094 0.160 0.000 1.151 1024 V CA 1.290 63.515 62.300 -0.125 0.000 1.158 1024 V CB -0.401 31.293 31.823 -0.215 0.000 0.764 1024 V HN 0.750 nan 8.190 nan 0.000 0.508 1025 M N -0.360 119.458 119.600 0.363 0.000 2.549 1025 M HA 0.270 4.750 4.480 -0.000 0.000 0.273 1025 M C 0.745 177.127 176.300 0.137 0.000 1.213 1025 M CA 0.173 55.623 55.300 0.250 0.000 0.976 1025 M CB -0.202 32.525 32.600 0.212 0.000 1.457 1025 M HN 0.159 nan 8.290 nan 0.000 0.485 1026 S N 0.323 116.149 115.700 0.211 0.000 2.533 1026 S HA 0.014 4.484 4.470 -0.000 0.000 0.282 1026 S C 1.235 175.950 174.600 0.192 0.000 1.304 1026 S CA -0.087 58.240 58.200 0.211 0.000 1.063 1026 S CB 0.755 64.105 63.200 0.250 0.000 0.881 1026 S HN 0.462 nan 8.310 nan 0.000 0.493 1027 H N 3.776 122.893 119.070 0.078 0.000 2.325 1027 H HA -0.246 4.309 4.556 -0.000 0.000 0.293 1027 H C 2.085 177.470 175.328 0.094 0.000 1.106 1027 H CA 2.434 58.524 56.048 0.069 0.000 1.247 1027 H CB -0.217 29.591 29.762 0.077 0.000 1.359 1027 H HN 0.752 nan 8.280 nan 0.000 0.488 1028 A N 0.138 123.103 122.820 0.241 0.000 2.024 1028 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 1028 A C 2.519 180.106 177.584 0.005 0.000 1.164 1028 A CA 1.483 53.602 52.037 0.137 0.000 0.643 1028 A CB -0.754 18.340 19.000 0.156 0.000 0.806 1028 A HN 0.512 nan 8.150 nan 0.000 0.451 1029 L N -1.814 119.402 121.223 -0.010 0.000 2.141 1029 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1029 L C 2.282 178.992 176.870 -0.267 0.000 1.094 1029 L CA 1.331 56.094 54.840 -0.127 0.000 0.763 1029 L CB -0.293 41.695 42.059 -0.118 0.000 0.908 1029 L HN 0.520 nan 8.230 nan 0.000 0.437 1030 H N -3.076 115.759 119.070 -0.392 0.000 2.553 1030 H HA 0.054 4.610 4.556 -0.000 0.000 0.276 1030 H C 0.537 175.489 175.328 -0.627 0.000 0.979 1030 H CA 0.776 56.444 56.048 -0.633 0.000 1.268 1030 H CB 0.246 29.360 29.762 -1.080 0.000 1.450 1030 H HN 0.265 nan 8.280 nan 0.000 0.527 1031 Y N -1.199 119.072 120.300 -0.049 0.000 2.641 1031 Y HA 0.324 4.874 4.550 0.000 0.000 0.248 1031 Y C 1.456 177.357 175.900 0.002 0.000 1.170 1031 Y CA -0.150 57.910 58.100 -0.067 0.000 1.201 1031 Y CB 1.103 39.440 38.460 -0.205 0.000 1.232 1031 Y HN 0.239 nan 8.280 nan 0.000 0.537 1032 G N 1.453 110.319 108.800 0.110 0.000 2.187 1032 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.261 1032 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.261 1032 G C 0.389 175.372 174.900 0.139 0.000 1.000 1032 G CA 0.797 45.959 45.100 0.103 0.000 0.718 1032 G HN 0.412 nan 8.290 nan 0.000 0.519 1033 T N -0.638 114.034 114.554 0.197 0.000 4.219 1033 T HA 0.565 4.915 4.350 -0.000 0.000 0.263 1033 T C 0.414 175.188 174.700 0.123 0.000 1.217 1033 T CA 0.496 62.736 62.100 0.234 0.000 1.145 1033 T CB 0.260 69.342 68.868 0.356 0.000 1.298 1033 T HN 1.607 nan 8.240 nan 0.000 0.999 1034 S N 0.365 116.192 115.700 0.212 0.000 2.570 1034 S HA 0.766 5.236 4.470 -0.000 0.000 0.270 1034 S C -1.147 173.664 174.600 0.351 0.000 1.149 1034 S CA -0.871 57.477 58.200 0.248 0.000 0.837 1034 S CB 1.906 65.231 63.200 0.209 0.000 1.124 1034 S HN 0.337 nan 8.310 nan 0.000 0.465 1035 V N 2.523 122.661 119.914 0.373 0.000 2.789 1035 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 1035 V C -0.977 175.332 176.094 0.357 0.000 1.073 1035 V CA -0.631 61.874 62.300 0.342 0.000 0.921 1035 V CB 1.442 33.461 31.823 0.327 0.000 1.009 1035 V HN 1.030 nan 8.190 nan 0.000 0.426 1036 F N 1.748 121.776 119.950 0.129 0.000 2.692 1036 F HA 0.937 5.464 4.527 0.000 0.000 0.320 1036 F C -0.764 175.094 175.800 0.097 0.000 1.123 1036 F CA -0.764 57.293 58.000 0.094 0.000 0.961 1036 F CB 1.718 40.746 39.000 0.047 0.000 1.383 1036 F HN 0.313 nan 8.300 nan 0.000 0.483 1037 E N -0.132 120.186 120.200 0.197 0.000 2.416 1037 E HA 0.592 4.942 4.350 -0.000 0.000 0.273 1037 E C -1.275 175.433 176.600 0.179 0.000 0.935 1037 E CA -0.989 55.465 56.400 0.089 0.000 0.784 1037 E CB 2.078 31.837 29.700 0.097 0.000 1.301 1037 E HN 1.025 nan 8.360 nan 0.000 0.454 1038 G N 1.338 110.182 108.800 0.073 0.000 2.675 1038 G HA2 0.652 4.612 3.960 -0.000 0.000 0.297 1038 G HA3 0.652 4.612 3.960 -0.000 0.000 0.297 1038 G C -0.555 174.091 174.900 -0.424 0.000 1.399 1038 G CA -0.323 44.734 45.100 -0.071 0.000 0.981 1038 G HN 0.253 nan 8.290 nan 0.000 0.519 1039 I N 1.123 121.269 120.570 -0.707 0.000 2.785 1039 I HA 0.601 4.771 4.170 -0.000 0.000 0.302 1039 I C -0.187 175.608 176.117 -0.537 0.000 1.069 1039 I CA -1.101 59.791 61.300 -0.680 0.000 1.045 1039 I CB 2.825 40.498 38.000 -0.545 0.000 1.236 1039 I HN 0.173 nan 8.210 nan 0.000 0.429 1040 R N 2.164 122.493 120.500 -0.286 0.000 2.599 1040 R HA 0.541 4.881 4.340 -0.000 0.000 0.295 1040 R C -1.570 174.587 176.300 -0.238 0.000 0.963 1040 R CA -0.562 55.375 56.100 -0.271 0.000 0.883 1040 R CB 2.285 32.419 30.300 -0.277 0.000 1.171 1040 R HN 0.731 nan 8.270 nan 0.000 0.450 1041 C N 4.664 123.772 119.300 -0.320 0.000 2.298 1041 C HA 0.581 5.041 4.460 -0.000 0.000 0.323 1041 C C -0.924 173.880 174.990 -0.309 0.000 1.284 1041 C CA -0.528 58.369 59.018 -0.202 0.000 1.577 1041 C CB -0.489 27.156 27.740 -0.159 0.000 2.249 1041 C HN 0.741 nan 8.230 nan 0.000 0.497 1042 Y N 2.992 123.206 120.300 -0.143 0.000 2.446 1042 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 1042 Y C 0.398 176.238 175.900 -0.101 0.000 1.055 1042 Y CA -0.257 57.697 58.100 -0.243 0.000 1.101 1042 Y CB 0.950 38.981 38.460 -0.715 0.000 1.221 1042 Y HN 0.626 nan 8.280 nan 0.000 0.460 1043 D N 1.708 122.170 120.400 0.102 0.000 2.317 1043 D HA 0.291 4.931 4.640 -0.000 0.000 0.252 1043 D C -0.419 175.977 176.300 0.159 0.000 1.174 1043 D CA 0.163 54.224 54.000 0.101 0.000 0.866 1043 D CB 0.822 41.665 40.800 0.072 0.000 1.127 1043 D HN 0.588 nan 8.370 nan 0.000 0.467 1044 S N 1.881 117.690 115.700 0.181 0.000 2.851 1044 S HA 0.287 4.757 4.470 -0.000 0.000 0.317 1044 S C 1.154 175.886 174.600 0.220 0.000 1.144 1044 S CA -0.499 57.865 58.200 0.274 0.000 0.862 1044 S CB 0.586 64.019 63.200 0.387 0.000 1.259 1044 S HN 0.642 nan 8.310 nan 0.000 0.564 1045 H N -0.292 118.848 119.070 0.116 0.000 2.521 1045 H HA 0.310 4.866 4.556 -0.000 0.000 0.286 1045 H C 0.985 176.355 175.328 0.070 0.000 1.034 1045 H CA 0.948 57.042 56.048 0.078 0.000 1.278 1045 H CB -0.291 29.507 29.762 0.061 0.000 1.386 1045 H HN 0.491 nan 8.280 nan 0.000 0.567 1046 K N 0.642 120.854 120.400 -0.313 0.000 2.399 1046 K HA 0.293 4.613 4.320 -0.000 0.000 0.204 1046 K C 0.443 177.005 176.600 -0.063 0.000 1.023 1046 K CA 0.137 56.283 56.287 -0.235 0.000 1.127 1046 K CB 1.490 33.797 32.500 -0.321 0.000 0.856 1046 K HN 0.509 nan 8.250 nan 0.000 0.514 1047 G N 2.633 111.432 108.800 -0.001 0.000 2.698 1047 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.225 1047 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.225 1047 G C -2.819 172.114 174.900 0.055 0.000 1.345 1047 G CA -1.142 43.977 45.100 0.032 0.000 0.871 1047 G HN -0.017 nan 8.290 nan 0.000 0.540 1048 P HA 0.386 nan 4.420 nan 0.000 0.262 1048 P C -0.384 176.957 177.300 0.068 0.000 1.182 1048 P CA 0.306 63.438 63.100 0.053 0.000 0.761 1048 P CB 1.199 32.916 31.700 0.028 0.000 0.795 1049 V N 4.737 124.715 119.914 0.107 0.000 2.808 1049 V HA 0.160 4.280 4.120 -0.000 0.000 0.308 1049 V C 0.013 176.204 176.094 0.162 0.000 1.099 1049 V CA -0.854 61.536 62.300 0.149 0.000 0.920 1049 V CB 2.749 34.713 31.823 0.235 0.000 1.014 1049 V HN 0.222 nan 8.190 nan 0.000 0.425 1050 V N 5.156 125.130 119.914 0.101 0.000 2.385 1050 V HA 0.306 4.426 4.120 -0.000 0.000 0.269 1050 V C -0.139 176.092 176.094 0.228 0.000 1.043 1050 V CA -0.360 61.960 62.300 0.033 0.000 0.906 1050 V CB 1.000 32.641 31.823 -0.303 0.000 0.995 1050 V HN 0.675 nan 8.190 nan 0.000 0.467 1051 F N 6.381 126.438 119.950 0.178 0.000 2.506 1051 F HA 0.352 4.879 4.527 -0.000 0.000 0.371 1051 F C 1.312 177.242 175.800 0.216 0.000 1.078 1051 F CA -0.655 57.506 58.000 0.268 0.000 1.195 1051 F CB -0.185 39.053 39.000 0.396 0.000 1.099 1051 F HN 0.615 nan 8.300 nan 0.000 0.548 1052 R N 4.358 124.616 120.500 -0.404 0.000 3.251 1052 R HA -0.324 4.016 4.340 -0.000 0.000 0.249 1052 R C 1.251 177.604 176.300 0.089 0.000 0.949 1052 R CA 1.077 56.982 56.100 -0.325 0.000 0.645 1052 R CB -2.249 27.591 30.300 -0.766 0.000 1.065 1052 R HN 0.921 nan 8.270 nan 0.000 0.452 1053 H N 0.777 119.863 119.070 0.025 0.000 2.267 1053 H HA -0.173 4.383 4.556 -0.000 0.000 0.297 1053 H C 2.389 177.738 175.328 0.035 0.000 1.080 1053 H CA 1.925 58.001 56.048 0.045 0.000 1.278 1053 H CB 0.192 29.969 29.762 0.025 0.000 1.365 1053 H HN 0.423 nan 8.280 nan 0.000 0.489 1054 R N 0.611 121.127 120.500 0.026 0.000 2.091 1054 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 1054 R C 2.104 178.373 176.300 -0.051 0.000 1.136 1054 R CA 2.097 58.149 56.100 -0.079 0.000 0.959 1054 R CB -0.008 30.258 30.300 -0.057 0.000 0.856 1054 R HN 0.412 nan 8.270 nan 0.000 0.437 1055 E N -0.929 119.243 120.200 -0.048 0.000 2.118 1055 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 1055 E C 1.845 178.356 176.600 -0.150 0.000 0.992 1055 E CA 1.851 58.177 56.400 -0.123 0.000 0.804 1055 E CB -0.157 29.414 29.700 -0.216 0.000 0.741 1055 E HN 0.556 nan 8.360 nan 0.000 0.458 1056 H N -1.049 117.992 119.070 -0.048 0.000 2.363 1056 H HA 0.005 4.561 4.556 0.000 0.000 0.301 1056 H C 1.674 176.994 175.328 -0.012 0.000 1.074 1056 H CA 1.313 57.346 56.048 -0.024 0.000 1.354 1056 H CB 0.147 29.914 29.762 0.008 0.000 1.397 1056 H HN 0.068 nan 8.280 nan 0.000 0.516 1057 M N 0.102 119.759 119.600 0.095 0.000 2.229 1057 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 1057 M C 2.154 178.462 176.300 0.014 0.000 1.063 1057 M CA 1.152 56.473 55.300 0.035 0.000 1.114 1057 M CB -0.579 31.975 32.600 -0.077 0.000 1.387 1057 M HN 0.287 nan 8.290 nan 0.000 0.420 1058 Q N 0.668 120.445 119.800 -0.037 0.000 2.119 1058 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 1058 Q C 2.082 178.085 176.000 0.005 0.000 0.972 1058 Q CA 1.693 57.467 55.803 -0.050 0.000 0.847 1058 Q CB -0.260 28.435 28.738 -0.071 0.000 0.903 1058 Q HN 0.441 nan 8.270 nan 0.000 0.433 1059 R N -0.661 119.829 120.500 -0.017 0.000 2.148 1059 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 1059 R C 2.140 178.457 176.300 0.029 0.000 1.088 1059 R CA 0.686 56.771 56.100 -0.025 0.000 0.985 1059 R CB -0.195 30.052 30.300 -0.088 0.000 0.880 1059 R HN 0.386 nan 8.270 nan 0.000 0.451 1060 L N 0.014 121.284 121.223 0.079 0.000 2.017 1060 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 1060 L C 1.895 178.846 176.870 0.136 0.000 1.073 1060 L CA 1.746 56.654 54.840 0.113 0.000 0.745 1060 L CB -0.337 41.811 42.059 0.149 0.000 0.894 1060 L HN 0.346 nan 8.230 nan 0.000 0.432 1061 H N -0.328 118.756 119.070 0.025 0.000 2.389 1061 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 1061 H C 1.871 177.207 175.328 0.013 0.000 1.081 1061 H CA 1.646 57.709 56.048 0.025 0.000 1.345 1061 H CB 0.008 29.773 29.762 0.006 0.000 1.393 1061 H HN 0.319 nan 8.280 nan 0.000 0.520 1062 D N -0.765 119.700 120.400 0.108 0.000 2.117 1062 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 1062 D C 2.237 178.536 176.300 -0.001 0.000 0.982 1062 D CA 1.199 55.216 54.000 0.029 0.000 0.828 1062 D CB -0.230 40.565 40.800 -0.009 0.000 0.967 1062 D HN 0.220 nan 8.370 nan 0.000 0.464 1063 S N 0.365 116.078 115.700 0.021 0.000 2.368 1063 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 1063 S C 2.081 176.728 174.600 0.078 0.000 1.030 1063 S CA 1.102 59.330 58.200 0.046 0.000 0.999 1063 S CB -0.196 63.051 63.200 0.079 0.000 0.844 1063 S HN 0.361 nan 8.310 nan 0.000 0.459 1064 A N 1.534 124.407 122.820 0.088 0.000 1.969 1064 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 1064 A C 2.000 179.568 177.584 -0.027 0.000 1.169 1064 A CA 1.654 53.750 52.037 0.098 0.000 0.635 1064 A CB -0.445 18.631 19.000 0.127 0.000 0.810 1064 A HN 0.476 nan 8.150 nan 0.000 0.445 1065 K N -0.128 120.252 120.400 -0.033 0.000 2.097 1065 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 1065 K C 1.720 178.251 176.600 -0.114 0.000 1.049 1065 K CA 1.413 57.668 56.287 -0.053 0.000 0.933 1065 K CB -0.292 32.194 32.500 -0.023 0.000 0.717 1065 K HN 0.495 nan 8.250 nan 0.000 0.442 1066 I N 0.040 120.509 120.570 -0.168 0.000 2.226 1066 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 1066 I C 1.432 177.286 176.117 -0.439 0.000 1.100 1066 I CA 1.343 62.463 61.300 -0.299 0.000 1.374 1066 I CB -0.120 37.659 38.000 -0.369 0.000 1.057 1066 I HN 0.220 nan 8.210 nan 0.000 0.413 1067 Y N 0.342 120.442 120.300 -0.333 0.000 2.511 1067 Y HA 0.122 4.672 4.550 0.000 0.000 0.279 1067 Y C 0.747 176.344 175.900 -0.505 0.000 1.157 1067 Y CA -0.124 57.647 58.100 -0.549 0.000 1.300 1067 Y CB 0.222 38.023 38.460 -1.098 0.000 1.052 1067 Y HN 0.035 nan 8.280 nan 0.000 0.529 1068 R N -1.320 119.066 120.500 -0.190 0.000 3.656 1068 R HA -0.183 4.157 4.340 -0.000 0.000 0.297 1068 R C -1.273 175.099 176.300 0.120 0.000 1.166 1068 R CA 0.076 56.157 56.100 -0.033 0.000 0.799 1068 R CB -2.658 27.651 30.300 0.014 0.000 1.285 1068 R HN 0.047 nan 8.270 nan 0.000 0.477 1069 F N 2.455 122.468 119.950 0.105 0.000 2.438 1069 F HA 0.256 4.783 4.527 0.000 0.000 0.356 1069 F C -1.065 174.695 175.800 -0.067 0.000 1.099 1069 F CA -2.991 55.046 58.000 0.062 0.000 1.185 1069 F CB 0.098 39.156 39.000 0.096 0.000 1.115 1069 F HN -0.116 nan 8.300 nan 0.000 0.526 1070 P HA 0.198 nan 4.420 nan 0.000 0.276 1070 P C -0.902 176.340 177.300 -0.098 0.000 1.235 1070 P CA -0.072 62.965 63.100 -0.104 0.000 0.772 1070 P CB 1.541 33.093 31.700 -0.248 0.000 0.871 1071 V N 3.312 123.169 119.914 -0.094 0.000 2.409 1071 V HA 0.109 4.229 4.120 -0.000 0.000 0.291 1071 V C 1.435 177.503 176.094 -0.044 0.000 1.020 1071 V CA -0.025 62.212 62.300 -0.105 0.000 0.848 1071 V CB 1.181 32.833 31.823 -0.285 0.000 0.990 1071 V HN 0.521 nan 8.190 nan 0.000 0.430 1072 S N 3.001 118.696 115.700 -0.008 0.000 2.395 1072 S HA -0.043 4.427 4.470 -0.000 0.000 0.225 1072 S C 0.727 175.374 174.600 0.079 0.000 1.027 1072 S CA 0.588 58.803 58.200 0.025 0.000 0.965 1072 S CB -0.045 63.168 63.200 0.021 0.000 0.812 1072 S HN 0.834 nan 8.310 nan 0.000 0.482 1073 Q N 2.131 122.004 119.800 0.121 0.000 2.293 1073 Q HA 0.440 4.780 4.340 -0.000 0.000 0.251 1073 Q C 0.232 176.358 176.000 0.211 0.000 0.930 1073 Q CA -0.276 55.624 55.803 0.162 0.000 0.893 1073 Q CB 0.841 29.700 28.738 0.201 0.000 1.215 1073 Q HN 0.396 nan 8.270 nan 0.000 0.425 1074 S N 1.013 116.792 115.700 0.132 0.000 2.645 1074 S HA 0.315 4.785 4.470 -0.000 0.000 0.266 1074 S C 0.994 175.569 174.600 -0.041 0.000 1.258 1074 S CA -0.652 57.584 58.200 0.061 0.000 0.990 1074 S CB 0.481 63.686 63.200 0.008 0.000 0.967 1074 S HN 0.633 nan 8.310 nan 0.000 0.556 1075 I N 0.725 121.152 120.570 -0.239 0.000 2.264 1075 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 1075 I C 2.025 178.038 176.117 -0.172 0.000 1.111 1075 I CA 1.491 62.635 61.300 -0.261 0.000 1.382 1075 I CB -0.374 37.426 38.000 -0.333 0.000 1.060 1075 I HN 0.700 nan 8.210 nan 0.000 0.418 1076 D N 0.521 120.844 120.400 -0.127 0.000 2.117 1076 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 1076 D C 2.029 178.278 176.300 -0.085 0.000 0.982 1076 D CA 1.226 55.164 54.000 -0.103 0.000 0.828 1076 D CB -0.090 40.671 40.800 -0.066 0.000 0.967 1076 D HN 0.471 nan 8.370 nan 0.000 0.464 1077 E N 0.586 120.757 120.200 -0.049 0.000 2.077 1077 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 1077 E C 2.413 178.950 176.600 -0.106 0.000 0.989 1077 E CA 0.446 56.832 56.400 -0.024 0.000 0.800 1077 E CB -0.028 29.701 29.700 0.048 0.000 0.746 1077 E HN 0.249 nan 8.360 nan 0.000 0.452 1078 L N 0.265 121.411 121.223 -0.128 0.000 2.093 1078 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 1078 L C 2.534 179.268 176.870 -0.228 0.000 1.085 1078 L CA 0.880 55.587 54.840 -0.222 0.000 0.755 1078 L CB -0.264 41.730 42.059 -0.108 0.000 0.904 1078 L HN 0.226 nan 8.230 nan 0.000 0.435 1079 M N -0.846 118.618 119.600 -0.226 0.000 2.132 1079 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 1079 M C 2.210 178.479 176.300 -0.052 0.000 1.065 1079 M CA 1.416 56.546 55.300 -0.283 0.000 1.122 1079 M CB -0.331 31.989 32.600 -0.467 0.000 1.365 1079 M HN 0.111 nan 8.290 nan 0.000 0.411 1080 E N 0.956 121.105 120.200 -0.085 0.000 2.077 1080 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 1080 E C 1.844 178.395 176.600 -0.082 0.000 0.989 1080 E CA 1.821 58.196 56.400 -0.042 0.000 0.800 1080 E CB -0.140 29.544 29.700 -0.026 0.000 0.746 1080 E HN 0.391 nan 8.360 nan 0.000 0.452 1081 A N 0.023 122.705 122.820 -0.230 0.000 1.930 1081 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 1081 A C 2.623 179.983 177.584 -0.373 0.000 1.175 1081 A CA 1.437 53.175 52.037 -0.498 0.000 0.627 1081 A CB -1.279 16.939 19.000 -1.304 0.000 0.815 1081 A HN 0.543 nan 8.150 nan 0.000 0.443 1082 C N -0.126 119.037 119.300 -0.228 0.000 2.432 1082 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 1082 C C 2.856 177.815 174.990 -0.053 0.000 1.249 1082 C CA 1.373 60.332 59.018 -0.097 0.000 1.725 1082 C CB -1.297 26.489 27.740 0.076 0.000 2.028 1082 C HN 0.644 nan 8.230 nan 0.000 0.477 1083 R N 0.499 121.002 120.500 0.004 0.000 2.081 1083 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 1083 R C 1.787 178.090 176.300 0.004 0.000 1.131 1083 R CA 2.029 58.132 56.100 0.005 0.000 0.960 1083 R CB -0.512 29.813 30.300 0.041 0.000 0.856 1083 R HN 0.560 nan 8.270 nan 0.000 0.436 1084 D N 0.162 120.565 120.400 0.005 0.000 2.104 1084 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 1084 D C 1.928 178.259 176.300 0.052 0.000 0.994 1084 D CA 1.095 55.115 54.000 0.033 0.000 0.830 1084 D CB -0.200 40.639 40.800 0.066 0.000 0.959 1084 D HN -0.023 nan 8.370 nan 0.000 0.452 1085 V N 0.823 120.772 119.914 0.058 0.000 2.407 1085 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 1085 V C 2.401 178.548 176.094 0.089 0.000 1.055 1085 V CA 1.101 63.467 62.300 0.109 0.000 1.049 1085 V CB -0.372 31.528 31.823 0.129 0.000 0.662 1085 V HN 0.219 nan 8.190 nan 0.000 0.455 1086 I N -0.546 120.047 120.570 0.039 0.000 2.202 1086 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 1086 I C 2.767 178.908 176.117 0.039 0.000 1.091 1086 I CA 1.522 62.838 61.300 0.026 0.000 1.368 1086 I CB -0.406 37.583 38.000 -0.018 0.000 1.058 1086 I HN 0.196 nan 8.210 nan 0.000 0.410 1087 R N 0.791 121.310 120.500 0.031 0.000 2.070 1087 R HA -0.205 4.135 4.340 -0.000 0.000 0.233 1087 R C 2.335 178.657 176.300 0.036 0.000 1.137 1087 R CA 1.453 57.571 56.100 0.030 0.000 0.945 1087 R CB -0.385 29.929 30.300 0.022 0.000 0.845 1087 R HN 0.065 nan 8.270 nan 0.000 0.430 1088 K N 0.858 121.277 120.400 0.032 0.000 2.160 1088 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 1088 K C 1.191 177.843 176.600 0.088 0.000 1.047 1088 K CA 1.490 57.781 56.287 0.006 0.000 0.930 1088 K CB -0.002 32.466 32.500 -0.053 0.000 0.720 1088 K HN 0.120 nan 8.250 nan 0.000 0.450 1089 N N 0.669 119.448 118.700 0.132 0.000 2.280 1089 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 1089 N C -0.718 174.858 175.510 0.109 0.000 1.109 1089 N CA 0.288 53.440 53.050 0.170 0.000 0.855 1089 N CB 0.097 38.702 38.487 0.197 0.000 0.974 1089 N HN 0.220 nan 8.380 nan 0.000 0.482 1090 N N 0.371 119.118 118.700 0.078 0.000 2.725 1090 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 1090 N C -1.284 174.254 175.510 0.048 0.000 1.031 1090 N CA 0.380 53.464 53.050 0.056 0.000 0.720 1090 N CB -1.177 37.343 38.487 0.055 0.000 0.930 1090 N HN 0.283 nan 8.380 nan 0.000 0.543 1091 L N -0.380 120.870 121.223 0.045 0.000 2.309 1091 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 1091 L C 1.723 178.604 176.870 0.018 0.000 1.036 1091 L CA -0.414 54.445 54.840 0.032 0.000 0.806 1091 L CB 1.457 43.535 42.059 0.032 0.000 1.220 1091 L HN 0.284 nan 8.230 nan 0.000 0.429 1092 T N -3.283 111.279 114.554 0.014 0.000 3.000 1092 T HA 0.110 4.460 4.350 -0.000 0.000 0.248 1092 T C 0.558 175.256 174.700 -0.003 0.000 1.034 1092 T CA 0.211 62.319 62.100 0.013 0.000 1.060 1092 T CB 0.294 69.176 68.868 0.023 0.000 0.983 1092 T HN 0.556 nan 8.240 nan 0.000 0.482 1093 S N 0.132 115.820 115.700 -0.020 0.000 2.546 1093 S HA 0.866 5.336 4.470 -0.000 0.000 0.272 1093 S C -0.854 173.705 174.600 -0.068 0.000 1.140 1093 S CA -0.363 57.796 58.200 -0.068 0.000 0.920 1093 S CB 2.001 65.165 63.200 -0.059 0.000 1.083 1093 S HN 1.080 nan 8.310 nan 0.000 0.476 1094 A N 1.444 124.189 122.820 -0.125 0.000 2.540 1094 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 1094 A C -2.330 175.171 177.584 -0.138 0.000 1.083 1094 A CA -0.824 51.156 52.037 -0.095 0.000 0.650 1094 A CB 0.462 19.413 19.000 -0.081 0.000 1.292 1094 A HN 1.504 nan 8.150 nan 0.000 0.435 1095 Y N 0.545 120.649 120.300 -0.326 0.000 2.328 1095 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 1095 Y C -0.900 174.691 175.900 -0.516 0.000 0.966 1095 Y CA -0.668 57.221 58.100 -0.352 0.000 1.136 1095 Y CB 0.894 39.226 38.460 -0.212 0.000 1.170 1095 Y HN 0.542 nan 8.280 nan 0.000 0.470 1096 I N 6.040 126.179 120.570 -0.717 0.000 2.437 1096 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 1096 I C -0.548 175.253 176.117 -0.528 0.000 0.984 1096 I CA -0.622 60.386 61.300 -0.487 0.000 1.214 1096 I CB 1.571 39.370 38.000 -0.336 0.000 1.365 1096 I HN 0.493 nan 8.210 nan 0.000 0.469 1097 R N 6.687 127.082 120.500 -0.175 0.000 2.487 1097 R HA 0.540 4.880 4.340 -0.000 0.000 0.288 1097 R C -2.938 173.401 176.300 0.065 0.000 1.394 1097 R CA -2.157 53.944 56.100 0.003 0.000 1.155 1097 R CB 0.814 31.240 30.300 0.209 0.000 1.156 1097 R HN 0.208 nan 8.270 nan 0.000 0.553 1098 P HA 0.236 nan 4.420 nan 0.000 0.285 1098 P C -1.264 176.145 177.300 0.182 0.000 1.259 1098 P CA -0.471 62.691 63.100 0.103 0.000 0.794 1098 P CB 1.085 32.831 31.700 0.077 0.000 0.940 1099 L N 4.834 126.172 121.223 0.192 0.000 2.476 1099 L HA 0.503 4.843 4.340 -0.000 0.000 0.269 1099 L C -1.428 175.624 176.870 0.302 0.000 0.965 1099 L CA -0.568 54.419 54.840 0.246 0.000 0.845 1099 L CB 1.249 43.401 42.059 0.154 0.000 1.259 1099 L HN 0.350 nan 8.230 nan 0.000 0.403 1100 I N 6.066 126.807 120.570 0.285 0.000 2.354 1100 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 1100 I C -0.677 175.587 176.117 0.245 0.000 0.989 1100 I CA -0.582 60.839 61.300 0.202 0.000 1.188 1100 I CB 1.436 39.526 38.000 0.151 0.000 1.342 1100 I HN 0.480 nan 8.210 nan 0.000 0.457 1101 F N 4.372 124.309 119.950 -0.022 0.000 2.626 1101 F HA 0.676 5.203 4.527 -0.000 0.000 0.311 1101 F C -1.136 174.591 175.800 -0.123 0.000 1.088 1101 F CA -1.246 56.700 58.000 -0.090 0.000 0.949 1101 F CB 0.856 39.833 39.000 -0.037 0.000 1.322 1101 F HN -0.068 nan 8.300 nan 0.000 0.461 1102 V N 3.091 122.966 119.914 -0.065 0.000 2.427 1102 V HA 0.490 4.610 4.120 -0.000 0.000 0.268 1102 V C 0.831 177.007 176.094 0.136 0.000 1.046 1102 V CA 0.397 62.643 62.300 -0.089 0.000 0.970 1102 V CB 0.122 31.815 31.823 -0.216 0.000 1.001 1102 V HN 1.102 nan 8.190 nan 0.000 0.476 1103 G N 3.102 111.922 108.800 0.033 0.000 2.624 1103 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 1103 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 1103 G C -0.007 174.985 174.900 0.153 0.000 1.506 1103 G CA -0.347 44.854 45.100 0.169 0.000 1.072 1103 G HN 0.646 nan 8.290 nan 0.000 0.568 1104 D N -0.024 120.454 120.400 0.130 0.000 2.482 1104 D HA 0.246 4.886 4.640 -0.000 0.000 0.244 1104 D C 0.169 176.483 176.300 0.023 0.000 1.242 1104 D CA 0.085 54.130 54.000 0.075 0.000 1.097 1104 D CB -0.097 40.729 40.800 0.043 0.000 1.109 1104 D HN 0.084 nan 8.370 nan 0.000 0.510 1105 V N 2.270 122.197 119.914 0.023 0.000 3.285 1105 V HA 0.789 4.909 4.120 -0.000 0.000 0.302 1105 V C 1.262 177.355 176.094 -0.001 0.000 1.247 1105 V CA -0.172 62.114 62.300 -0.022 0.000 1.035 1105 V CB 1.428 33.180 31.823 -0.118 0.000 1.223 1105 V HN 0.472 nan 8.190 nan 0.000 0.475 1106 G N 0.062 108.853 108.800 -0.016 0.000 2.661 1106 G HA2 0.148 4.108 3.960 -0.000 0.000 0.272 1106 G HA3 0.148 4.108 3.960 -0.000 0.000 0.272 1106 G C 0.338 175.291 174.900 0.088 0.000 1.296 1106 G CA -0.229 44.880 45.100 0.015 0.000 0.998 1106 G HN 0.540 nan 8.290 nan 0.000 0.553 1107 M N 0.586 120.229 119.600 0.072 0.000 2.371 1107 M HA 0.172 4.652 4.480 -0.000 0.000 0.246 1107 M C 1.401 177.810 176.300 0.182 0.000 1.103 1107 M CA -0.180 55.188 55.300 0.115 0.000 1.010 1107 M CB 0.013 32.626 32.600 0.022 0.000 1.457 1107 M HN 0.505 nan 8.290 nan 0.000 0.486 1108 G N 0.096 108.963 108.800 0.111 0.000 2.483 1108 G HA2 0.333 4.293 3.960 -0.000 0.000 0.248 1108 G HA3 0.333 4.293 3.960 -0.000 0.000 0.248 1108 G C 1.001 175.923 174.900 0.036 0.000 1.248 1108 G CA -0.560 44.564 45.100 0.039 0.000 0.838 1108 G HN 0.075 nan 8.290 nan 0.000 0.566 1109 V N 2.305 122.122 119.914 -0.161 0.000 2.332 1109 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 1109 V C 1.238 177.334 176.094 0.003 0.000 1.055 1109 V CA 1.632 63.759 62.300 -0.289 0.000 1.038 1109 V CB -0.732 30.891 31.823 -0.333 0.000 0.651 1109 V HN 0.649 nan 8.190 nan 0.000 0.450 1110 N N 0.591 119.273 118.700 -0.029 0.000 2.414 1110 N HA 0.348 5.088 4.740 -0.000 0.000 0.256 1110 N C -2.712 172.715 175.510 -0.138 0.000 1.029 1110 N CA -1.083 51.939 53.050 -0.046 0.000 0.948 1110 N CB 0.947 39.423 38.487 -0.017 0.000 1.102 1110 N HN 0.260 nan 8.380 nan 0.000 0.496 1111 P HA 0.088 nan 4.420 nan 0.000 0.269 1111 P C -2.374 174.732 177.300 -0.323 0.000 1.209 1111 P CA -0.814 61.929 63.100 -0.595 0.000 0.776 1111 P CB 0.054 30.876 31.700 -1.463 0.000 0.876 1112 P HA 0.073 nan 4.420 nan 0.000 0.268 1112 P C -0.554 176.808 177.300 0.103 0.000 1.205 1112 P CA -0.115 62.967 63.100 -0.030 0.000 0.771 1112 P CB 0.460 32.149 31.700 -0.019 0.000 0.858 1113 A N 2.204 125.088 122.820 0.106 0.000 2.531 1113 A HA 0.388 4.708 4.320 -0.000 0.000 0.236 1113 A C 1.515 179.179 177.584 0.132 0.000 1.062 1113 A CA 0.759 52.880 52.037 0.139 0.000 0.760 1113 A CB -1.277 17.769 19.000 0.077 0.000 0.995 1113 A HN 0.962 nan 8.150 nan 0.000 0.501 1114 G N 0.087 108.953 108.800 0.109 0.000 2.179 1114 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 1114 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 1114 G C 0.148 175.076 174.900 0.047 0.000 0.977 1114 G CA 0.843 45.971 45.100 0.045 0.000 0.641 1114 G HN 2.109 nan 8.290 nan 0.000 0.533 1115 Y N 1.398 121.683 120.300 -0.025 0.000 2.281 1115 Y HA 0.689 5.239 4.550 -0.000 0.000 0.337 1115 Y C 0.518 176.391 175.900 -0.044 0.000 1.304 1115 Y CA -0.393 57.682 58.100 -0.043 0.000 1.465 1115 Y CB 0.947 39.370 38.460 -0.062 0.000 1.350 1115 Y HN 0.708 nan 8.280 nan 0.000 0.575 1116 S N -0.032 115.551 115.700 -0.195 0.000 2.595 1116 S HA 0.640 5.110 4.470 -0.000 0.000 0.281 1116 S C -0.631 173.867 174.600 -0.170 0.000 1.117 1116 S CA -0.464 57.562 58.200 -0.289 0.000 0.873 1116 S CB 1.236 64.347 63.200 -0.148 0.000 1.108 1116 S HN 1.090 nan 8.310 nan 0.000 0.477 1117 T N -0.738 113.693 114.554 -0.204 0.000 2.902 1117 T HA 0.533 4.883 4.350 -0.000 0.000 0.280 1117 T C -0.887 173.670 174.700 -0.239 0.000 0.992 1117 T CA -0.733 61.247 62.100 -0.201 0.000 1.015 1117 T CB 0.619 69.372 68.868 -0.192 0.000 1.044 1117 T HN 0.616 nan 8.240 nan 0.000 0.520 1118 D N 0.876 120.994 120.400 -0.470 0.000 2.168 1118 D HA 0.501 5.141 4.640 -0.000 0.000 0.246 1118 D C -0.573 175.495 176.300 -0.387 0.000 1.050 1118 D CA -0.281 53.432 54.000 -0.478 0.000 0.857 1118 D CB 2.198 42.502 40.800 -0.828 0.000 1.169 1118 D HN 0.342 nan 8.370 nan 0.000 0.453 1119 V N 3.245 123.150 119.914 -0.014 0.000 2.628 1119 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 1119 V C -0.066 176.203 176.094 0.292 0.000 1.045 1119 V CA -0.749 61.664 62.300 0.189 0.000 0.905 1119 V CB 2.376 34.407 31.823 0.347 0.000 0.997 1119 V HN 0.434 nan 8.190 nan 0.000 0.436 1120 I N 4.737 125.478 120.570 0.285 0.000 2.619 1120 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 1120 I C -0.853 175.404 176.117 0.233 0.000 1.100 1120 I CA -0.471 60.947 61.300 0.197 0.000 1.043 1120 I CB 2.280 40.257 38.000 -0.039 0.000 1.239 1120 I HN 0.520 nan 8.210 nan 0.000 0.420 1121 I N 5.319 126.058 120.570 0.283 0.000 2.468 1121 I HA 0.524 4.694 4.170 -0.000 0.000 0.284 1121 I C -0.193 176.022 176.117 0.164 0.000 1.038 1121 I CA -0.494 60.902 61.300 0.160 0.000 1.083 1121 I CB 1.958 39.979 38.000 0.034 0.000 1.223 1121 I HN 0.585 nan 8.210 nan 0.000 0.443 1122 A N 4.993 127.892 122.820 0.131 0.000 2.342 1122 A HA 0.959 5.279 4.320 -0.000 0.000 0.323 1122 A C -0.618 177.116 177.584 0.250 0.000 1.125 1122 A CA -0.486 51.680 52.037 0.215 0.000 0.785 1122 A CB 1.566 20.663 19.000 0.161 0.000 1.221 1122 A HN 0.766 nan 8.150 nan 0.000 0.463 1123 A N 1.465 124.472 122.820 0.313 0.000 2.386 1123 A HA 0.988 5.308 4.320 -0.000 0.000 0.311 1123 A C -0.800 176.976 177.584 0.321 0.000 1.068 1123 A CA -0.526 51.583 52.037 0.120 0.000 0.743 1123 A CB 0.655 19.685 19.000 0.049 0.000 1.258 1123 A HN 1.928 nan 8.150 nan 0.000 0.429 1124 F N -1.218 118.818 119.950 0.143 0.000 2.744 1124 F HA 0.684 5.211 4.527 -0.000 0.000 0.311 1124 F C -3.469 172.393 175.800 0.102 0.000 1.144 1124 F CA -2.421 55.629 58.000 0.084 0.000 0.938 1124 F CB 0.674 39.698 39.000 0.039 0.000 1.292 1124 F HN 0.265 nan 8.300 nan 0.000 0.444 1125 P HA 0.160 nan 4.420 nan 0.000 0.271 1125 P C -1.508 176.027 177.300 0.391 0.000 1.216 1125 P CA 0.529 63.755 63.100 0.210 0.000 0.771 1125 P CB 0.408 32.196 31.700 0.146 0.000 0.864 1126 W N 3.347 124.695 121.300 0.080 0.000 3.326 1126 W HA 0.496 5.156 4.660 -0.000 0.000 0.333 1126 W C -0.007 176.534 176.519 0.036 0.000 1.108 1126 W CA -0.528 56.868 57.345 0.084 0.000 1.245 1126 W CB 1.448 30.929 29.460 0.036 0.000 1.331 1126 W HN 0.470 nan 8.180 nan 0.000 0.464 1127 G N 2.051 110.922 108.800 0.118 0.000 2.486 1127 G HA2 0.460 4.420 3.960 -0.000 0.000 0.272 1127 G HA3 0.460 4.420 3.960 -0.000 0.000 0.272 1127 G C -0.368 174.414 174.900 -0.196 0.000 1.426 1127 G CA -0.180 44.899 45.100 -0.034 0.000 1.058 1127 G HN 0.824 nan 8.290 nan 0.000 0.531 1128 A N -1.416 121.334 122.820 -0.116 0.000 2.492 1128 A HA 0.328 4.648 4.320 -0.000 0.000 0.254 1128 A C 0.831 178.306 177.584 -0.181 0.000 1.091 1128 A CA -0.222 51.753 52.037 -0.103 0.000 0.768 1128 A CB 0.015 18.995 19.000 -0.032 0.000 1.028 1128 A HN 0.714 nan 8.150 nan 0.000 0.498 1129 Y N 2.837 122.926 120.300 -0.353 0.000 2.128 1129 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 1129 Y C 1.499 177.290 175.900 -0.181 0.000 1.154 1129 Y CA 2.353 60.219 58.100 -0.391 0.000 1.149 1129 Y CB -0.067 38.191 38.460 -0.336 0.000 0.976 1129 Y HN 0.573 nan 8.280 nan 0.000 0.505 1130 L N -0.166 120.966 121.223 -0.153 0.000 2.611 1130 L HA 0.302 4.642 4.340 -0.000 0.000 0.229 1130 L C 0.597 177.403 176.870 -0.108 0.000 1.137 1130 L CA 0.341 55.081 54.840 -0.166 0.000 0.901 1130 L CB -0.573 41.468 42.059 -0.030 0.000 1.098 1130 L HN 0.390 nan 8.230 nan 0.000 0.456 1131 G N -1.725 107.015 108.800 -0.100 0.000 2.402 1131 G HA2 0.117 4.077 3.960 -0.000 0.000 0.666 1131 G HA3 0.117 4.077 3.960 -0.000 0.000 0.666 1131 G C 0.280 175.158 174.900 -0.036 0.000 1.402 1131 G CA -0.436 44.626 45.100 -0.063 0.000 0.920 1131 G HN -0.062 nan 8.290 nan 0.000 0.651 1132 A N 0.172 122.975 122.820 -0.029 0.000 1.865 1132 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 1132 A C 1.718 179.294 177.584 -0.014 0.000 1.191 1132 A CA 2.296 54.322 52.037 -0.019 0.000 0.623 1132 A CB -0.374 18.617 19.000 -0.015 0.000 0.826 1132 A HN 0.794 nan 8.150 nan 0.000 0.444 1133 E N -0.344 119.850 120.200 -0.010 0.000 2.437 1133 E HA 0.307 4.657 4.350 -0.000 0.000 0.189 1133 E C 1.695 178.298 176.600 0.005 0.000 1.054 1133 E CA 0.238 56.635 56.400 -0.005 0.000 0.874 1133 E CB -0.008 29.690 29.700 -0.004 0.000 1.011 1133 E HN 0.610 nan 8.360 nan 0.000 0.474 1134 A N 1.028 123.852 122.820 0.007 0.000 1.930 1134 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 1134 A C 2.099 179.704 177.584 0.036 0.000 1.175 1134 A CA 0.801 52.851 52.037 0.022 0.000 0.627 1134 A CB -0.331 18.680 19.000 0.017 0.000 0.815 1134 A HN 0.206 nan 8.150 nan 0.000 0.443 1135 L N -0.957 120.288 121.223 0.036 0.000 2.141 1135 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 1135 L C 2.562 179.452 176.870 0.034 0.000 1.094 1135 L CA 1.205 56.077 54.840 0.052 0.000 0.763 1135 L CB -0.424 41.674 42.059 0.066 0.000 0.908 1135 L HN 0.455 nan 8.230 nan 0.000 0.437 1136 E N -0.411 119.799 120.200 0.016 0.000 2.079 1136 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 1136 E C 2.121 178.732 176.600 0.018 0.000 0.961 1136 E CA 0.589 56.995 56.400 0.010 0.000 0.823 1136 E CB 0.110 29.809 29.700 -0.003 0.000 0.789 1136 E HN 0.522 nan 8.360 nan 0.000 0.459 1137 Q N -0.012 119.799 119.800 0.019 0.000 2.212 1137 Q HA 0.096 4.436 4.340 -0.000 0.000 0.199 1137 Q C 0.655 176.677 176.000 0.037 0.000 0.950 1137 Q CA 0.653 56.471 55.803 0.025 0.000 0.863 1137 Q CB 0.658 29.407 28.738 0.019 0.000 0.944 1137 Q HN 0.235 nan 8.270 nan 0.000 0.465 1138 G N 1.264 110.091 108.800 0.044 0.000 2.663 1138 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 1138 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 1138 G C -0.605 174.333 174.900 0.063 0.000 1.288 1138 G CA -0.296 44.842 45.100 0.063 0.000 0.836 1138 G HN 0.325 nan 8.290 nan 0.000 0.584 1139 I N -2.960 117.658 120.570 0.081 0.000 3.067 1139 I HA 0.816 4.986 4.170 -0.000 0.000 0.312 1139 I C -1.000 175.183 176.117 0.110 0.000 1.073 1139 I CA -1.320 60.030 61.300 0.084 0.000 1.016 1139 I CB 2.454 40.504 38.000 0.084 0.000 1.227 1139 I HN 0.361 nan 8.210 nan 0.000 0.456 1140 D N 3.232 123.711 120.400 0.133 0.000 2.349 1140 D HA 0.567 5.207 4.640 -0.000 0.000 0.232 1140 D C -0.422 176.049 176.300 0.285 0.000 1.071 1140 D CA -0.029 54.093 54.000 0.202 0.000 0.832 1140 D CB 2.021 42.933 40.800 0.187 0.000 1.086 1140 D HN 0.788 nan 8.370 nan 0.000 0.504 1141 A N 2.603 125.552 122.820 0.214 0.000 2.299 1141 A HA 0.788 5.108 4.320 -0.000 0.000 0.332 1141 A C -0.417 177.099 177.584 -0.115 0.000 1.131 1141 A CA -0.735 51.361 52.037 0.099 0.000 0.844 1141 A CB 1.721 20.760 19.000 0.065 0.000 1.251 1141 A HN 0.605 nan 8.150 nan 0.000 0.486 1142 M N 1.638 121.044 119.600 -0.324 0.000 2.386 1142 M HA 0.488 4.968 4.480 -0.000 0.000 0.293 1142 M C -1.756 174.411 176.300 -0.222 0.000 1.120 1142 M CA -0.627 54.340 55.300 -0.554 0.000 0.909 1142 M CB 1.851 33.747 32.600 -1.174 0.000 1.661 1142 M HN 0.391 nan 8.290 nan 0.000 0.452 1143 V N 3.427 123.259 119.914 -0.136 0.000 2.470 1143 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 1143 V C 0.499 176.568 176.094 -0.041 0.000 1.040 1143 V CA -0.002 62.263 62.300 -0.058 0.000 1.008 1143 V CB 0.964 32.770 31.823 -0.027 0.000 0.990 1143 V HN 0.927 nan 8.190 nan 0.000 0.477 1144 S N 3.731 119.434 115.700 0.006 0.000 2.585 1144 S HA 0.109 4.579 4.470 -0.000 0.000 0.273 1144 S C 1.408 176.035 174.600 0.045 0.000 1.339 1144 S CA 0.017 58.257 58.200 0.068 0.000 1.028 1144 S CB 1.075 64.361 63.200 0.143 0.000 0.906 1144 S HN 1.035 nan 8.310 nan 0.000 0.528 1145 S N 2.268 117.985 115.700 0.028 0.000 2.593 1145 S HA 0.157 4.627 4.470 -0.000 0.000 0.217 1145 S C -0.210 174.264 174.600 -0.210 0.000 0.966 1145 S CA -0.561 57.567 58.200 -0.119 0.000 0.914 1145 S CB -0.284 62.795 63.200 -0.202 0.000 0.776 1145 S HN 0.669 nan 8.310 nan 0.000 0.523 1146 W N 2.368 123.671 121.300 0.005 0.000 2.469 1146 W HA 0.549 5.210 4.660 0.000 0.000 0.320 1146 W C -0.126 176.390 176.519 -0.006 0.000 1.086 1146 W CA -0.963 56.384 57.345 0.003 0.000 1.211 1146 W CB 0.681 30.146 29.460 0.009 0.000 1.298 1146 W HN 0.078 nan 8.180 nan 0.000 0.525 1147 N N 1.716 120.555 118.700 0.232 0.000 2.489 1147 N HA 0.479 5.219 4.740 -0.000 0.000 0.284 1147 N C -0.274 175.310 175.510 0.124 0.000 1.158 1147 N CA -0.989 52.137 53.050 0.127 0.000 0.965 1147 N CB 1.058 39.584 38.487 0.066 0.000 1.195 1147 N HN 0.221 nan 8.380 nan 0.000 0.506 1148 R N 0.714 121.258 120.500 0.073 0.000 2.531 1148 R HA 0.407 4.747 4.340 -0.000 0.000 0.273 1148 R C -0.092 176.237 176.300 0.049 0.000 1.070 1148 R CA -0.646 55.484 56.100 0.050 0.000 1.112 1148 R CB 0.624 30.941 30.300 0.029 0.000 1.049 1148 R HN 0.637 nan 8.270 nan 0.000 0.508 1149 A N 1.768 124.613 122.820 0.041 0.000 2.598 1149 A HA 0.144 4.464 4.320 -0.000 0.000 0.239 1149 A C 0.286 177.895 177.584 0.042 0.000 1.032 1149 A CA 0.466 52.529 52.037 0.045 0.000 0.760 1149 A CB -0.110 18.916 19.000 0.042 0.000 0.946 1149 A HN 0.785 nan 8.150 nan 0.000 0.512 1150 A N 4.680 127.525 122.820 0.042 0.000 2.425 1150 A HA 0.504 4.824 4.320 -0.000 0.000 0.242 1150 A C -0.718 176.886 177.584 0.034 0.000 1.077 1150 A CA -0.744 51.315 52.037 0.036 0.000 0.781 1150 A CB -0.417 18.602 19.000 0.033 0.000 1.020 1150 A HN 0.672 nan 8.150 nan 0.000 0.494 1151 P HA -0.196 nan 4.420 nan 0.000 0.218 1151 P C 0.669 177.981 177.300 0.020 0.000 1.165 1151 P CA 2.119 65.236 63.100 0.028 0.000 0.922 1151 P CB 0.095 31.813 31.700 0.029 0.000 0.794 1152 N N -2.213 116.498 118.700 0.018 0.000 2.635 1152 N HA 0.062 4.802 4.740 -0.000 0.000 0.307 1152 N C 0.507 176.027 175.510 0.016 0.000 1.433 1152 N CA 0.062 53.118 53.050 0.011 0.000 0.973 1152 N CB -0.213 38.279 38.487 0.007 0.000 1.304 1152 N HN 0.095 nan 8.380 nan 0.000 0.507 1153 T N -2.825 111.744 114.554 0.026 0.000 3.478 1153 T HA 0.377 4.727 4.350 -0.000 0.000 0.223 1153 T C 0.485 175.216 174.700 0.052 0.000 0.958 1153 T CA 0.049 62.172 62.100 0.038 0.000 1.324 1153 T CB 0.221 69.116 68.868 0.044 0.000 1.262 1153 T HN -0.007 nan 8.240 nan 0.000 0.379 1154 I N 4.176 124.784 120.570 0.064 0.000 2.420 1154 I HA 0.362 4.532 4.170 -0.000 0.000 0.282 1154 I C -2.534 173.626 176.117 0.072 0.000 1.019 1154 I CA -2.653 58.709 61.300 0.102 0.000 1.130 1154 I CB 1.951 40.027 38.000 0.127 0.000 1.262 1154 I HN 0.220 nan 8.210 nan 0.000 0.454 1155 P HA -0.068 nan 4.420 nan 0.000 0.253 1155 P C 0.925 178.234 177.300 0.016 0.000 1.159 1155 P CA 0.310 63.397 63.100 -0.021 0.000 0.779 1155 P CB 0.294 31.914 31.700 -0.133 0.000 0.745 1156 T N 0.092 114.652 114.554 0.011 0.000 3.118 1156 T HA 0.049 4.399 4.350 -0.000 0.000 0.260 1156 T C 1.628 176.314 174.700 -0.023 0.000 1.139 1156 T CA 0.702 62.809 62.100 0.011 0.000 1.085 1156 T CB -0.187 68.690 68.868 0.015 0.000 0.934 1156 T HN 0.337 nan 8.240 nan 0.000 0.518 1157 A N 1.091 123.878 122.820 -0.054 0.000 2.119 1157 A HA 0.678 4.998 4.320 -0.000 0.000 0.216 1157 A C 1.491 179.018 177.584 -0.095 0.000 1.152 1157 A CA 0.350 52.317 52.037 -0.116 0.000 0.708 1157 A CB -0.539 18.378 19.000 -0.139 0.000 0.805 1157 A HN 0.724 nan 8.150 nan 0.000 0.460 1158 A N 0.030 122.828 122.820 -0.038 0.000 2.301 1158 A HA 0.535 4.855 4.320 -0.000 0.000 0.298 1158 A C 0.227 177.842 177.584 0.052 0.000 1.185 1158 A CA -0.496 51.550 52.037 0.014 0.000 0.830 1158 A CB 0.225 19.267 19.000 0.071 0.000 1.112 1158 A HN 0.244 nan 8.150 nan 0.000 0.508 1159 K N 2.317 122.713 120.400 -0.005 0.000 2.222 1159 K HA 0.470 4.790 4.320 -0.000 0.000 0.243 1159 K C -0.074 176.487 176.600 -0.064 0.000 1.160 1159 K CA -0.042 56.186 56.287 -0.098 0.000 1.090 1159 K CB -0.058 32.265 32.500 -0.295 0.000 1.694 1159 K HN 0.784 nan 8.250 nan 0.000 0.361 1160 A N 1.312 124.236 122.820 0.174 0.000 2.306 1160 A HA 0.518 4.838 4.320 -0.000 0.000 0.330 1160 A C 1.192 179.029 177.584 0.422 0.000 1.146 1160 A CA -0.395 51.807 52.037 0.277 0.000 0.827 1160 A CB 1.145 20.284 19.000 0.231 0.000 1.178 1160 A HN 0.692 nan 8.150 nan 0.000 0.490 1161 G N 1.091 110.135 108.800 0.405 0.000 2.491 1161 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 1161 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 1161 G C 1.416 176.486 174.900 0.283 0.000 1.180 1161 G CA 1.441 46.740 45.100 0.332 0.000 0.774 1161 G HN 1.296 nan 8.290 nan 0.000 0.562 1162 G N 0.944 109.865 108.800 0.201 0.000 2.462 1162 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 1162 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 1162 G C 1.702 176.710 174.900 0.180 0.000 1.121 1162 G CA 1.180 46.375 45.100 0.158 0.000 0.758 1162 G HN 0.420 nan 8.290 nan 0.000 0.559 1163 N N 0.228 119.073 118.700 0.241 0.000 2.149 1163 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 1163 N C 1.497 177.055 175.510 0.079 0.000 1.019 1163 N CA 0.770 53.919 53.050 0.165 0.000 0.857 1163 N CB -0.532 38.064 38.487 0.182 0.000 0.997 1163 N HN 0.432 nan 8.380 nan 0.000 0.426 1164 Y N 0.998 121.368 120.300 0.117 0.000 2.716 1164 Y HA 0.053 4.604 4.550 0.000 0.000 0.302 1164 Y C 1.936 177.852 175.900 0.027 0.000 1.160 1164 Y CA 0.188 58.342 58.100 0.090 0.000 1.362 1164 Y CB -0.441 38.090 38.460 0.119 0.000 0.988 1164 Y HN 0.087 nan 8.280 nan 0.000 0.546 1165 L N -1.819 119.444 121.223 0.067 0.000 2.156 1165 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 1165 L C 2.617 179.425 176.870 -0.104 0.000 1.095 1165 L CA 1.361 56.190 54.840 -0.018 0.000 0.770 1165 L CB -0.479 41.563 42.059 -0.028 0.000 0.914 1165 L HN 0.171 nan 8.230 nan 0.000 0.439 1166 S N -0.666 114.973 115.700 -0.103 0.000 2.355 1166 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 1166 S C 2.182 176.697 174.600 -0.142 0.000 1.031 1166 S CA 1.746 59.864 58.200 -0.137 0.000 0.993 1166 S CB -0.030 63.116 63.200 -0.089 0.000 0.859 1166 S HN 0.387 nan 8.310 nan 0.000 0.453 1167 S N 1.577 117.177 115.700 -0.166 0.000 2.399 1167 S HA 0.030 4.500 4.470 -0.000 0.000 0.231 1167 S C 1.741 176.333 174.600 -0.013 0.000 1.022 1167 S CA 0.940 59.067 58.200 -0.121 0.000 0.983 1167 S CB -0.483 62.554 63.200 -0.271 0.000 0.803 1167 S HN 0.511 nan 8.310 nan 0.000 0.480 1168 L N 1.251 122.467 121.223 -0.010 0.000 1.994 1168 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 1168 L C 2.053 178.875 176.870 -0.080 0.000 1.071 1168 L CA 1.489 56.327 54.840 -0.004 0.000 0.745 1168 L CB -0.410 41.641 42.059 -0.015 0.000 0.892 1168 L HN 0.338 nan 8.230 nan 0.000 0.431 1169 L N -1.000 120.098 121.223 -0.208 0.000 2.017 1169 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 1169 L C 2.517 179.281 176.870 -0.176 0.000 1.073 1169 L CA 1.101 55.714 54.840 -0.378 0.000 0.745 1169 L CB -0.635 40.880 42.059 -0.908 0.000 0.894 1169 L HN 0.122 nan 8.230 nan 0.000 0.432 1170 V N 0.095 119.962 119.914 -0.078 0.000 2.295 1170 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 1170 V C 2.577 178.715 176.094 0.073 0.000 1.049 1170 V CA 2.091 64.429 62.300 0.062 0.000 1.024 1170 V CB -1.236 30.621 31.823 0.057 0.000 0.648 1170 V HN 0.576 nan 8.190 nan 0.000 0.447 1171 G N 0.022 108.855 108.800 0.056 0.000 2.394 1171 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.215 1171 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.215 1171 G C 1.870 176.810 174.900 0.066 0.000 1.165 1171 G CA 1.214 46.360 45.100 0.078 0.000 0.784 1171 G HN 0.630 nan 8.290 nan 0.000 0.535 1172 S N 0.361 116.086 115.700 0.042 0.000 2.402 1172 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 1172 S C 2.022 176.642 174.600 0.033 0.000 1.021 1172 S CA 1.626 59.842 58.200 0.027 0.000 0.974 1172 S CB -0.255 62.946 63.200 0.001 0.000 0.800 1172 S HN 0.556 nan 8.310 nan 0.000 0.484 1173 E N 1.688 121.932 120.200 0.074 0.000 2.077 1173 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 1173 E C 2.167 178.849 176.600 0.137 0.000 0.989 1173 E CA 1.029 57.495 56.400 0.110 0.000 0.800 1173 E CB -0.478 29.369 29.700 0.245 0.000 0.746 1173 E HN 0.674 nan 8.360 nan 0.000 0.452 1174 A N 1.131 124.045 122.820 0.156 0.000 1.877 1174 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 1174 A C 2.187 179.932 177.584 0.267 0.000 1.186 1174 A CA 1.516 53.682 52.037 0.214 0.000 0.620 1174 A CB -0.474 18.602 19.000 0.127 0.000 0.822 1174 A HN 0.158 nan 8.150 nan 0.000 0.443 1175 R N -1.045 119.538 120.500 0.139 0.000 2.120 1175 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 1175 R C 2.421 178.748 176.300 0.044 0.000 1.123 1175 R CA 1.377 57.531 56.100 0.090 0.000 0.975 1175 R CB -0.227 30.098 30.300 0.042 0.000 0.866 1175 R HN 0.565 nan 8.270 nan 0.000 0.446 1176 R N -0.280 120.207 120.500 -0.021 0.000 2.189 1176 R HA -0.103 4.237 4.340 -0.000 0.000 0.223 1176 R C 0.562 176.763 176.300 -0.165 0.000 1.092 1176 R CA 1.404 57.422 56.100 -0.138 0.000 0.989 1176 R CB 0.073 30.219 30.300 -0.256 0.000 0.876 1176 R HN 0.428 nan 8.270 nan 0.000 0.457 1177 H N -2.043 117.118 119.070 0.151 0.000 2.520 1177 H HA 0.243 4.799 4.556 0.000 0.000 0.284 1177 H C 0.746 176.069 175.328 -0.008 0.000 1.037 1177 H CA 0.265 56.403 56.048 0.149 0.000 1.168 1177 H CB 1.327 31.282 29.762 0.320 0.000 1.497 1177 H HN 0.484 nan 8.280 nan 0.000 0.547 1178 G N -0.204 108.630 108.800 0.057 0.000 2.175 1178 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 1178 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 1178 G C -0.316 174.489 174.900 -0.158 0.000 0.982 1178 G CA -0.307 44.732 45.100 -0.102 0.000 0.641 1178 G HN 0.323 nan 8.290 nan 0.000 0.527 1179 Y N -0.159 120.184 120.300 0.072 0.000 2.374 1179 Y HA 0.570 5.120 4.550 0.000 0.000 0.322 1179 Y C 1.690 177.613 175.900 0.038 0.000 1.275 1179 Y CA -0.243 57.893 58.100 0.061 0.000 1.307 1179 Y CB 0.803 39.312 38.460 0.082 0.000 1.282 1179 Y HN 0.016 nan 8.280 nan 0.000 0.509 1180 Q N 0.161 120.083 119.800 0.204 0.000 2.302 1180 Q HA 0.074 4.414 4.340 -0.000 0.000 0.202 1180 Q C -0.303 175.748 176.000 0.084 0.000 0.936 1180 Q CA 0.664 56.525 55.803 0.097 0.000 0.886 1180 Q CB 0.520 29.295 28.738 0.062 0.000 0.986 1180 Q HN 0.547 nan 8.270 nan 0.000 0.487 1181 E N -1.687 118.587 120.200 0.123 0.000 2.390 1181 E HA 0.577 4.927 4.350 -0.000 0.000 0.280 1181 E C -1.331 175.315 176.600 0.077 0.000 0.992 1181 E CA -0.496 55.962 56.400 0.097 0.000 0.790 1181 E CB 1.380 31.139 29.700 0.099 0.000 1.248 1181 E HN 0.058 nan 8.360 nan 0.000 0.447 1182 G N 2.165 111.005 108.800 0.068 0.000 2.388 1182 G HA2 0.655 4.615 3.960 -0.000 0.000 0.330 1182 G HA3 0.655 4.615 3.960 -0.000 0.000 0.330 1182 G C -0.681 174.241 174.900 0.036 0.000 1.142 1182 G CA -0.608 44.512 45.100 0.034 0.000 0.908 1182 G HN 0.443 nan 8.290 nan 0.000 0.473 1183 I N 1.596 122.171 120.570 0.009 0.000 2.339 1183 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 1183 I C 0.542 176.666 176.117 0.013 0.000 0.994 1183 I CA -0.702 60.603 61.300 0.009 0.000 1.191 1183 I CB 1.873 39.865 38.000 -0.013 0.000 1.343 1183 I HN 0.527 nan 8.210 nan 0.000 0.458 1184 A N 7.597 130.431 122.820 0.023 0.000 2.303 1184 A HA 0.816 5.136 4.320 -0.000 0.000 0.317 1184 A C -0.532 177.063 177.584 0.018 0.000 1.149 1184 A CA -0.499 51.558 52.037 0.034 0.000 0.822 1184 A CB 0.839 19.867 19.000 0.047 0.000 1.131 1184 A HN 0.693 nan 8.150 nan 0.000 0.493 1185 L N 1.384 122.618 121.223 0.018 0.000 2.352 1185 L HA 0.384 4.724 4.340 -0.000 0.000 0.269 1185 L C 0.203 177.083 176.870 0.017 0.000 1.034 1185 L CA -1.066 53.778 54.840 0.007 0.000 0.806 1185 L CB 1.356 43.403 42.059 -0.020 0.000 1.244 1185 L HN 0.922 nan 8.230 nan 0.000 0.447 1186 D N 0.286 120.699 120.400 0.022 0.000 2.478 1186 D HA 0.065 4.705 4.640 -0.000 0.000 0.269 1186 D C 1.038 177.332 176.300 -0.009 0.000 1.232 1186 D CA -0.458 53.558 54.000 0.026 0.000 1.059 1186 D CB 0.674 41.508 40.800 0.058 0.000 1.104 1186 D HN 0.293 nan 8.370 nan 0.000 0.566 1187 V N -2.102 117.810 119.914 -0.002 0.000 2.867 1187 V HA -0.124 3.996 4.120 -0.000 0.000 0.260 1187 V C 1.174 177.222 176.094 -0.077 0.000 1.099 1187 V CA 1.202 63.487 62.300 -0.024 0.000 1.122 1187 V CB -0.917 30.905 31.823 -0.002 0.000 0.708 1187 V HN 0.418 nan 8.190 nan 0.000 0.490 1188 N N 1.143 119.772 118.700 -0.117 0.000 2.422 1188 N HA 0.176 4.916 4.740 -0.000 0.000 0.181 1188 N C 1.591 176.800 175.510 -0.502 0.000 1.080 1188 N CA 1.117 54.008 53.050 -0.266 0.000 0.893 1188 N CB 0.890 39.242 38.487 -0.225 0.000 0.973 1188 N HN 0.795 nan 8.380 nan 0.000 0.456 1189 G N 0.237 108.820 108.800 -0.361 0.000 2.144 1189 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 1189 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 1189 G C -0.387 174.320 174.900 -0.321 0.000 0.988 1189 G CA -0.300 44.601 45.100 -0.332 0.000 0.659 1189 G HN 0.361 nan 8.290 nan 0.000 0.522 1190 Y N -0.438 119.838 120.300 -0.039 0.000 2.488 1190 Y HA 0.666 5.215 4.550 -0.000 0.000 0.325 1190 Y C 1.425 177.290 175.900 -0.057 0.000 1.204 1190 Y CA -1.459 56.608 58.100 -0.054 0.000 1.229 1190 Y CB 1.033 39.464 38.460 -0.050 0.000 1.274 1190 Y HN 0.055 nan 8.280 nan 0.000 0.493 1191 I N 1.202 121.836 120.570 0.107 0.000 2.618 1191 I HA -0.098 4.072 4.170 -0.000 0.000 0.284 1191 I C 0.892 177.019 176.117 0.016 0.000 1.146 1191 I CA 0.644 61.953 61.300 0.015 0.000 1.425 1191 I CB 1.058 39.031 38.000 -0.044 0.000 1.383 1191 I HN 0.721 nan 8.210 nan 0.000 0.562 1192 S N 4.902 120.607 115.700 0.009 0.000 2.559 1192 S HA 0.176 4.646 4.470 -0.000 0.000 0.212 1192 S C 0.114 174.707 174.600 -0.012 0.000 0.994 1192 S CA 0.508 58.714 58.200 0.010 0.000 0.903 1192 S CB 0.287 63.501 63.200 0.023 0.000 0.861 1192 S HN 0.856 nan 8.310 nan 0.000 0.601 1193 E N -1.587 118.609 120.200 -0.007 0.000 2.395 1193 E HA 0.437 4.787 4.350 -0.000 0.000 0.273 1193 E C -0.157 176.451 176.600 0.014 0.000 1.206 1193 E CA -0.738 55.659 56.400 -0.006 0.000 0.899 1193 E CB -0.180 29.522 29.700 0.003 0.000 1.405 1193 E HN 0.357 nan 8.360 nan 0.000 0.418 1194 G N -0.531 108.290 108.800 0.035 0.000 2.651 1194 G HA2 0.386 4.346 3.960 -0.000 0.000 0.260 1194 G HA3 0.386 4.346 3.960 -0.000 0.000 0.260 1194 G C 0.911 175.846 174.900 0.058 0.000 1.216 1194 G CA -0.173 44.962 45.100 0.057 0.000 0.913 1194 G HN 0.748 nan 8.290 nan 0.000 0.535 1195 A N -0.787 122.079 122.820 0.076 0.000 1.940 1195 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 1195 A C 1.917 179.538 177.584 0.060 0.000 1.176 1195 A CA 2.223 54.297 52.037 0.061 0.000 0.631 1195 A CB -0.289 18.770 19.000 0.099 0.000 0.814 1195 A HN 1.620 nan 8.150 nan 0.000 0.446 1196 G N -0.756 108.127 108.800 0.137 0.000 4.908 1196 G HA2 0.443 4.403 3.960 -0.000 0.000 0.267 1196 G HA3 0.443 4.403 3.960 -0.000 0.000 0.267 1196 G C -0.441 174.546 174.900 0.144 0.000 0.958 1196 G CA 0.347 45.548 45.100 0.169 0.000 0.743 1196 G HN 0.496 nan 8.290 nan 0.000 0.410 1197 E N 0.338 120.613 120.200 0.125 0.000 2.372 1197 E HA 0.259 4.609 4.350 -0.000 0.000 0.279 1197 E C -1.401 175.262 176.600 0.104 0.000 0.946 1197 E CA -0.936 55.538 56.400 0.125 0.000 0.769 1197 E CB 0.839 30.629 29.700 0.149 0.000 1.230 1197 E HN -0.090 nan 8.360 nan 0.000 0.442 1198 N N 1.169 119.939 118.700 0.115 0.000 2.415 1198 N HA 0.182 4.922 4.740 -0.000 0.000 0.248 1198 N C -0.514 175.038 175.510 0.069 0.000 1.271 1198 N CA -0.236 52.859 53.050 0.074 0.000 0.913 1198 N CB 0.749 39.291 38.487 0.092 0.000 1.129 1198 N HN 0.418 nan 8.380 nan 0.000 0.444 1199 L N 2.184 123.362 121.223 -0.076 0.000 2.341 1199 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 1199 L C -1.359 175.310 176.870 -0.335 0.000 1.005 1199 L CA -0.356 54.421 54.840 -0.105 0.000 0.818 1199 L CB 0.614 42.619 42.059 -0.091 0.000 1.259 1199 L HN 0.403 nan 8.230 nan 0.000 0.418 1200 F N 2.436 122.140 119.950 -0.409 0.000 2.563 1200 F HA 0.535 5.062 4.527 0.000 0.000 0.316 1200 F C 0.119 175.660 175.800 -0.432 0.000 1.076 1200 F CA -0.554 57.113 58.000 -0.555 0.000 0.921 1200 F CB 2.175 40.422 39.000 -1.256 0.000 1.209 1200 F HN 0.407 nan 8.300 nan 0.000 0.462 1201 E N 1.081 121.277 120.200 -0.007 0.000 2.293 1201 E HA 0.654 5.004 4.350 -0.000 0.000 0.270 1201 E C -1.639 175.102 176.600 0.235 0.000 0.879 1201 E CA -0.912 55.529 56.400 0.068 0.000 0.756 1201 E CB 3.114 32.822 29.700 0.014 0.000 1.208 1201 E HN 0.249 nan 8.360 nan 0.000 0.428 1202 V N 2.710 122.758 119.914 0.223 0.000 2.487 1202 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 1202 V C -0.654 175.577 176.094 0.228 0.000 1.028 1202 V CA -0.704 61.758 62.300 0.270 0.000 0.860 1202 V CB 1.630 33.598 31.823 0.242 0.000 0.991 1202 V HN 0.491 nan 8.190 nan 0.000 0.427 1203 K N 3.198 123.782 120.400 0.305 0.000 2.601 1203 K HA 0.478 4.798 4.320 -0.000 0.000 0.249 1203 K C -0.519 176.219 176.600 0.230 0.000 0.966 1203 K CA -0.253 56.164 56.287 0.216 0.000 0.827 1203 K CB 0.907 33.477 32.500 0.117 0.000 1.178 1203 K HN 0.572 nan 8.250 nan 0.000 0.437 1204 D N 3.830 124.314 120.400 0.141 0.000 2.723 1204 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 1204 D C 0.593 176.955 176.300 0.104 0.000 1.138 1204 D CA 2.005 56.072 54.000 0.110 0.000 0.676 1204 D CB -1.156 39.708 40.800 0.107 0.000 1.069 1204 D HN 1.096 nan 8.370 nan 0.000 0.430 1205 G N -2.152 106.712 108.800 0.106 0.000 2.162 1205 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 1205 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 1205 G C 0.356 175.296 174.900 0.068 0.000 0.976 1205 G CA 0.425 45.574 45.100 0.082 0.000 0.655 1205 G HN 0.620 nan 8.290 nan 0.000 0.533 1206 V N 1.274 121.240 119.914 0.086 0.000 2.581 1206 V HA 0.611 4.731 4.120 -0.000 0.000 0.303 1206 V C 0.779 176.840 176.094 -0.056 0.000 1.041 1206 V CA -0.908 61.364 62.300 -0.047 0.000 0.907 1206 V CB 2.007 33.729 31.823 -0.168 0.000 0.994 1206 V HN 0.277 nan 8.190 nan 0.000 0.442 1207 L N 4.306 125.439 121.223 -0.150 0.000 2.292 1207 L HA 0.555 4.895 4.340 -0.000 0.000 0.284 1207 L C -1.208 175.514 176.870 -0.246 0.000 1.065 1207 L CA -0.062 54.773 54.840 -0.009 0.000 0.806 1207 L CB 1.037 43.160 42.059 0.106 0.000 1.175 1207 L HN 0.527 nan 8.230 nan 0.000 0.431 1208 F N 0.847 120.830 119.950 0.054 0.000 2.551 1208 F HA 0.571 5.098 4.527 -0.000 0.000 0.316 1208 F C -0.013 175.675 175.800 -0.187 0.000 1.089 1208 F CA -0.516 57.453 58.000 -0.052 0.000 0.915 1208 F CB 2.477 41.435 39.000 -0.069 0.000 1.186 1208 F HN 0.281 nan 8.300 nan 0.000 0.456 1209 T N 1.233 115.724 114.554 -0.106 0.000 2.956 1209 T HA 0.452 4.802 4.350 -0.000 0.000 0.312 1209 T C -3.131 171.420 174.700 -0.249 0.000 1.151 1209 T CA -1.950 59.914 62.100 -0.392 0.000 1.024 1209 T CB 2.223 70.638 68.868 -0.755 0.000 1.140 1209 T HN 0.047 nan 8.240 nan 0.000 0.473 1210 P HA 0.302 nan 4.420 nan 0.000 0.275 1210 P C -2.302 174.884 177.300 -0.190 0.000 1.228 1210 P CA -1.211 61.788 63.100 -0.168 0.000 0.786 1210 P CB -0.058 31.569 31.700 -0.122 0.000 0.927 1211 P HA 0.104 nan 4.420 nan 0.000 0.277 1211 P C 0.356 177.559 177.300 -0.162 0.000 1.271 1211 P CA -0.159 62.756 63.100 -0.310 0.000 0.795 1211 P CB 0.488 32.033 31.700 -0.259 0.000 1.101 1212 F N -0.448 119.470 119.950 -0.053 0.000 2.269 1212 F HA -0.109 4.418 4.527 0.000 0.000 0.301 1212 F C 2.368 178.150 175.800 -0.030 0.000 1.082 1212 F CA 1.717 59.693 58.000 -0.041 0.000 1.360 1212 F CB -2.433 36.546 39.000 -0.035 0.000 1.041 1212 F HN 0.281 nan 8.300 nan 0.000 0.512 1213 T N -4.222 110.388 114.554 0.094 0.000 3.163 1213 T HA -0.048 4.302 4.350 -0.000 0.000 0.260 1213 T C 1.485 176.214 174.700 0.048 0.000 1.156 1213 T CA 0.898 63.033 62.100 0.058 0.000 1.072 1213 T CB -0.498 68.380 68.868 0.017 0.000 0.937 1213 T HN 0.091 nan 8.240 nan 0.000 0.528 1214 S N 1.134 116.860 115.700 0.043 0.000 2.679 1214 S HA 0.341 4.811 4.470 -0.000 0.000 0.233 1214 S C 0.681 175.315 174.600 0.057 0.000 0.951 1214 S CA -0.120 58.109 58.200 0.049 0.000 0.973 1214 S CB -0.469 62.740 63.200 0.015 0.000 0.778 1214 S HN 0.583 nan 8.310 nan 0.000 0.477 1215 S N 0.510 116.248 115.700 0.064 0.000 3.561 1215 S HA -0.188 4.282 4.470 -0.000 0.000 0.318 1215 S C 0.191 174.820 174.600 0.048 0.000 1.181 1215 S CA 0.499 58.731 58.200 0.053 0.000 0.916 1215 S CB -1.632 61.594 63.200 0.043 0.000 0.966 1215 S HN 0.808 nan 8.310 nan 0.000 0.550 1216 A N 0.561 123.426 122.820 0.075 0.000 2.292 1216 A HA 0.748 5.068 4.320 -0.000 0.000 0.319 1216 A C 0.064 177.693 177.584 0.075 0.000 1.206 1216 A CA -0.547 51.533 52.037 0.072 0.000 0.835 1216 A CB 0.685 19.732 19.000 0.078 0.000 1.164 1216 A HN 0.608 nan 8.150 nan 0.000 0.505 1217 L N 3.792 125.022 121.223 0.012 0.000 2.456 1217 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 1217 L C -2.035 174.759 176.870 -0.127 0.000 1.189 1217 L CA -1.472 53.328 54.840 -0.067 0.000 0.846 1217 L CB 0.922 42.958 42.059 -0.038 0.000 1.111 1217 L HN 0.401 nan 8.230 nan 0.000 0.475 1218 P HA 0.109 nan 4.420 nan 0.000 0.252 1218 P C -0.233 176.941 177.300 -0.211 0.000 1.694 1218 P CA -0.088 62.653 63.100 -0.598 0.000 1.163 1218 P CB 0.091 31.179 31.700 -1.020 0.000 1.934 1219 G N 2.018 110.796 108.800 -0.037 0.000 2.353 1219 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.239 1219 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.239 1219 G C 1.037 175.925 174.900 -0.020 0.000 1.295 1219 G CA -0.372 44.731 45.100 0.006 0.000 0.884 1219 G HN 0.364 nan 8.290 nan 0.000 0.537 1220 I N 1.301 121.827 120.570 -0.075 0.000 2.500 1220 I HA -0.105 4.065 4.170 -0.000 0.000 0.252 1220 I C 2.697 178.769 176.117 -0.075 0.000 1.142 1220 I CA 0.948 62.149 61.300 -0.166 0.000 1.451 1220 I CB 0.004 37.766 38.000 -0.396 0.000 1.093 1220 I HN 0.495 nan 8.210 nan 0.000 0.430 1221 T N 0.321 114.910 114.554 0.057 0.000 2.857 1221 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 1221 T C 1.997 176.735 174.700 0.064 0.000 1.048 1221 T CA 0.897 63.054 62.100 0.094 0.000 1.139 1221 T CB -0.225 68.694 68.868 0.085 0.000 0.874 1221 T HN 0.301 nan 8.240 nan 0.000 0.455 1222 R N 1.260 121.848 120.500 0.146 0.000 2.091 1222 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 1222 R C 2.135 178.575 176.300 0.234 0.000 1.136 1222 R CA 2.203 58.490 56.100 0.311 0.000 0.959 1222 R CB -0.455 30.018 30.300 0.287 0.000 0.856 1222 R HN 0.401 nan 8.270 nan 0.000 0.437 1223 D N -0.413 120.048 120.400 0.102 0.000 2.144 1223 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 1223 D C 1.776 178.062 176.300 -0.023 0.000 0.978 1223 D CA 1.407 55.438 54.000 0.052 0.000 0.833 1223 D CB 0.036 40.829 40.800 -0.012 0.000 0.961 1223 D HN 0.401 nan 8.370 nan 0.000 0.470 1224 A N 0.133 122.861 122.820 -0.155 0.000 1.898 1224 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 1224 A C 2.331 179.902 177.584 -0.020 0.000 1.181 1224 A CA 0.932 52.784 52.037 -0.309 0.000 0.620 1224 A CB -0.729 18.002 19.000 -0.447 0.000 0.819 1224 A HN 0.369 nan 8.150 nan 0.000 0.442 1225 I N -0.264 120.303 120.570 -0.005 0.000 2.226 1225 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 1225 I C 2.260 178.399 176.117 0.037 0.000 1.100 1225 I CA 1.265 62.543 61.300 -0.037 0.000 1.374 1225 I CB -0.300 37.558 38.000 -0.237 0.000 1.057 1225 I HN 0.314 nan 8.210 nan 0.000 0.413 1226 I N 0.652 121.292 120.570 0.117 0.000 2.226 1226 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 1226 I C 2.424 178.614 176.117 0.121 0.000 1.100 1226 I CA 1.512 62.901 61.300 0.150 0.000 1.374 1226 I CB -0.338 37.764 38.000 0.171 0.000 1.057 1226 I HN 0.181 nan 8.210 nan 0.000 0.413 1227 K N 0.546 121.018 120.400 0.119 0.000 2.103 1227 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 1227 K C 2.118 178.821 176.600 0.171 0.000 1.052 1227 K CA 1.028 57.400 56.287 0.143 0.000 0.945 1227 K CB -0.049 32.503 32.500 0.087 0.000 0.722 1227 K HN 0.276 nan 8.250 nan 0.000 0.443 1228 L N 0.562 121.865 121.223 0.133 0.000 2.027 1228 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 1228 L C 2.582 179.535 176.870 0.138 0.000 1.074 1228 L CA 1.046 55.982 54.840 0.161 0.000 0.745 1228 L CB -0.522 41.620 42.059 0.139 0.000 0.898 1228 L HN 0.191 nan 8.230 nan 0.000 0.433 1229 A N 0.068 122.947 122.820 0.098 0.000 1.940 1229 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 1229 A C 2.277 179.912 177.584 0.085 0.000 1.176 1229 A CA 1.755 53.838 52.037 0.078 0.000 0.631 1229 A CB -0.373 18.669 19.000 0.070 0.000 0.814 1229 A HN 0.331 nan 8.150 nan 0.000 0.446 1230 K N -0.639 119.823 120.400 0.104 0.000 2.148 1230 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 1230 K C 1.849 178.509 176.600 0.101 0.000 1.050 1230 K CA 1.113 57.457 56.287 0.095 0.000 0.942 1230 K CB -0.052 32.513 32.500 0.108 0.000 0.724 1230 K HN 0.389 nan 8.250 nan 0.000 0.446 1231 E N 0.855 121.140 120.200 0.142 0.000 2.107 1231 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 1231 E C 1.775 178.424 176.600 0.080 0.000 0.982 1231 E CA 0.874 57.352 56.400 0.129 0.000 0.809 1231 E CB 0.072 29.898 29.700 0.210 0.000 0.756 1231 E HN 0.313 nan 8.360 nan 0.000 0.459 1232 L N -0.401 120.869 121.223 0.078 0.000 2.599 1232 L HA 0.104 4.444 4.340 -0.000 0.000 0.230 1232 L C 1.169 178.062 176.870 0.039 0.000 1.141 1232 L CA 0.435 55.306 54.840 0.052 0.000 0.877 1232 L CB -0.166 41.923 42.059 0.049 0.000 1.009 1232 L HN 0.166 nan 8.230 nan 0.000 0.447 1233 G N 1.228 110.052 108.800 0.041 0.000 2.182 1233 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 1233 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 1233 G C 0.010 174.925 174.900 0.025 0.000 1.042 1233 G CA -0.189 44.928 45.100 0.029 0.000 0.775 1233 G HN 0.309 nan 8.290 nan 0.000 0.501 1234 I N 0.403 120.991 120.570 0.031 0.000 2.336 1234 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 1234 I C 0.720 176.842 176.117 0.008 0.000 0.991 1234 I CA -0.739 60.575 61.300 0.024 0.000 1.227 1234 I CB 1.592 39.615 38.000 0.038 0.000 1.366 1234 I HN 0.224 nan 8.210 nan 0.000 0.466 1235 E N 5.563 125.752 120.200 -0.018 0.000 2.344 1235 E HA 0.282 4.632 4.350 -0.000 0.000 0.270 1235 E C -1.327 175.215 176.600 -0.096 0.000 1.021 1235 E CA -0.329 56.039 56.400 -0.054 0.000 0.887 1235 E CB 1.069 30.724 29.700 -0.075 0.000 0.997 1235 E HN 0.338 nan 8.360 nan 0.000 0.429 1236 V N 5.675 125.535 119.914 -0.090 0.000 2.495 1236 V HA 0.458 4.578 4.120 -0.000 0.000 0.298 1236 V C -0.205 175.785 176.094 -0.174 0.000 1.031 1236 V CA -0.716 61.520 62.300 -0.108 0.000 0.871 1236 V CB 1.717 33.539 31.823 -0.001 0.000 0.988 1236 V HN 0.679 nan 8.190 nan 0.000 0.432 1237 R N 2.630 122.957 120.500 -0.288 0.000 2.476 1237 R HA 0.429 4.769 4.340 -0.000 0.000 0.305 1237 R C -0.743 175.468 176.300 -0.148 0.000 0.965 1237 R CA -0.586 55.361 56.100 -0.254 0.000 0.867 1237 R CB 2.484 32.545 30.300 -0.397 0.000 1.176 1237 R HN 0.787 nan 8.270 nan 0.000 0.447 1238 E N 4.296 124.428 120.200 -0.113 0.000 2.014 1238 E HA 0.079 4.429 4.350 -0.000 0.000 0.275 1238 E C -0.955 175.582 176.600 -0.106 0.000 0.997 1238 E CA -0.252 56.070 56.400 -0.130 0.000 0.804 1238 E CB 0.726 30.321 29.700 -0.176 0.000 1.090 1238 E HN 0.542 nan 8.360 nan 0.000 0.401 1239 Q N 1.220 120.980 119.800 -0.067 0.000 2.534 1239 Q HA 0.429 4.769 4.340 -0.000 0.000 0.290 1239 Q C -1.125 174.808 176.000 -0.112 0.000 0.991 1239 Q CA -1.077 54.683 55.803 -0.072 0.000 0.783 1239 Q CB 1.152 29.888 28.738 -0.004 0.000 1.470 1239 Q HN 0.169 nan 8.270 nan 0.000 0.406 1240 V N 1.829 121.637 119.914 -0.178 0.000 2.655 1240 V HA 0.158 4.278 4.120 -0.000 0.000 0.300 1240 V C -0.095 175.847 176.094 -0.252 0.000 1.044 1240 V CA 0.190 62.324 62.300 -0.276 0.000 1.095 1240 V CB 0.147 31.675 31.823 -0.492 0.000 0.952 1240 V HN 0.537 nan 8.190 nan 0.000 0.485 1241 L N 4.516 125.617 121.223 -0.203 0.000 2.365 1241 L HA 0.537 4.877 4.340 -0.000 0.000 0.273 1241 L C 0.361 177.196 176.870 -0.058 0.000 1.000 1241 L CA -0.416 54.332 54.840 -0.154 0.000 0.819 1241 L CB 2.300 44.270 42.059 -0.147 0.000 1.284 1241 L HN 0.765 nan 8.230 nan 0.000 0.418 1242 S N 1.448 117.121 115.700 -0.045 0.000 2.632 1242 S HA 0.297 4.767 4.470 -0.000 0.000 0.267 1242 S C 0.940 175.510 174.600 -0.051 0.000 1.276 1242 S CA -0.672 57.555 58.200 0.045 0.000 0.998 1242 S CB 1.702 64.916 63.200 0.023 0.000 0.953 1242 S HN 0.712 nan 8.310 nan 0.000 0.547 1243 R N 0.807 121.274 120.500 -0.055 0.000 2.081 1243 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 1243 R C 1.612 177.713 176.300 -0.332 0.000 1.131 1243 R CA 1.962 57.967 56.100 -0.158 0.000 0.960 1243 R CB -0.725 29.511 30.300 -0.107 0.000 0.856 1243 R HN 0.856 nan 8.270 nan 0.000 0.436 1244 E N 0.221 120.290 120.200 -0.218 0.000 2.209 1244 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 1244 E C 1.818 178.266 176.600 -0.254 0.000 0.993 1244 E CA 1.492 57.766 56.400 -0.211 0.000 0.819 1244 E CB -0.164 29.538 29.700 0.004 0.000 0.745 1244 E HN 0.440 nan 8.360 nan 0.000 0.477 1245 S N 0.665 116.231 115.700 -0.223 0.000 2.419 1245 S HA -0.161 4.309 4.470 -0.000 0.000 0.235 1245 S C 1.904 176.374 174.600 -0.216 0.000 1.019 1245 S CA 0.802 58.880 58.200 -0.203 0.000 0.982 1245 S CB -0.442 62.625 63.200 -0.221 0.000 0.789 1245 S HN 0.240 nan 8.310 nan 0.000 0.490 1246 L N -0.531 120.489 121.223 -0.338 0.000 2.201 1246 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 1246 L C 2.226 179.011 176.870 -0.143 0.000 1.105 1246 L CA 1.334 56.001 54.840 -0.288 0.000 0.775 1246 L CB -0.564 41.255 42.059 -0.400 0.000 0.913 1246 L HN 0.402 nan 8.230 nan 0.000 0.440 1247 Y N -1.152 119.138 120.300 -0.015 0.000 2.490 1247 Y HA 0.035 4.585 4.550 -0.000 0.000 0.285 1247 Y C 2.017 177.913 175.900 -0.007 0.000 1.117 1247 Y CA -0.121 57.976 58.100 -0.006 0.000 1.262 1247 Y CB 0.178 38.634 38.460 -0.007 0.000 1.043 1247 Y HN 0.080 nan 8.280 nan 0.000 0.553 1248 L N -0.490 120.784 121.223 0.084 0.000 2.616 1248 L HA 0.335 4.675 4.340 -0.000 0.000 0.229 1248 L C 1.085 177.962 176.870 0.012 0.000 1.110 1248 L CA -0.451 54.413 54.840 0.040 0.000 0.884 1248 L CB -0.097 41.964 42.059 0.003 0.000 1.115 1248 L HN 0.001 nan 8.230 nan 0.000 0.481 1249 A N 0.292 123.113 122.820 0.001 0.000 2.425 1249 A HA 0.095 4.415 4.320 -0.000 0.000 0.249 1249 A C 0.594 178.210 177.584 0.053 0.000 1.084 1249 A CA -0.302 51.740 52.037 0.009 0.000 0.781 1249 A CB 0.315 19.312 19.000 -0.004 0.000 1.019 1249 A HN 0.119 nan 8.150 nan 0.000 0.490 1250 D N 0.687 121.130 120.400 0.070 0.000 2.149 1250 D HA 0.006 4.646 4.640 -0.000 0.000 0.201 1250 D C 0.315 176.675 176.300 0.099 0.000 0.972 1250 D CA 1.494 55.543 54.000 0.082 0.000 0.835 1250 D CB 0.260 41.114 40.800 0.091 0.000 0.966 1250 D HN 0.787 nan 8.370 nan 0.000 0.476 1251 E N -0.901 119.373 120.200 0.123 0.000 2.413 1251 E HA 0.540 4.890 4.350 -0.000 0.000 0.277 1251 E C -1.410 175.289 176.600 0.166 0.000 0.958 1251 E CA -0.827 55.667 56.400 0.158 0.000 0.779 1251 E CB 3.553 33.374 29.700 0.202 0.000 1.278 1251 E HN -0.172 nan 8.360 nan 0.000 0.456 1252 V N 2.274 122.304 119.914 0.192 0.000 2.891 1252 V HA 0.780 4.900 4.120 -0.000 0.000 0.304 1252 V C -2.035 174.211 176.094 0.252 0.000 1.171 1252 V CA -0.495 61.889 62.300 0.139 0.000 0.943 1252 V CB 1.153 33.015 31.823 0.065 0.000 1.037 1252 V HN 0.708 nan 8.190 nan 0.000 0.427 1253 F N 3.878 123.905 119.950 0.128 0.000 2.662 1253 F HA 0.875 5.402 4.527 0.000 0.000 0.312 1253 F C -1.032 174.860 175.800 0.154 0.000 1.113 1253 F CA -1.246 56.816 58.000 0.104 0.000 0.951 1253 F CB 1.889 40.916 39.000 0.045 0.000 1.344 1253 F HN 0.500 nan 8.300 nan 0.000 0.462 1254 M N 2.263 122.080 119.600 0.361 0.000 2.578 1254 M HA 0.658 5.138 4.480 -0.000 0.000 0.321 1254 M C -0.784 175.698 176.300 0.304 0.000 1.182 1254 M CA -0.775 54.685 55.300 0.267 0.000 0.965 1254 M CB 2.476 35.188 32.600 0.187 0.000 1.694 1254 M HN 0.831 nan 8.290 nan 0.000 0.461 1255 S N 0.509 116.365 115.700 0.261 0.000 2.548 1255 S HA 1.023 5.493 4.470 -0.000 0.000 0.286 1255 S C -0.631 174.051 174.600 0.137 0.000 1.098 1255 S CA -0.594 57.710 58.200 0.174 0.000 0.930 1255 S CB 2.350 65.673 63.200 0.204 0.000 1.070 1255 S HN 1.110 nan 8.310 nan 0.000 0.480 1256 G N 0.315 109.167 108.800 0.086 0.000 2.368 1256 G HA2 0.432 4.392 3.960 -0.000 0.000 0.293 1256 G HA3 0.432 4.392 3.960 -0.000 0.000 0.293 1256 G C 0.059 175.031 174.900 0.120 0.000 1.467 1256 G CA -0.094 45.072 45.100 0.110 0.000 0.804 1256 G HN 0.605 nan 8.290 nan 0.000 0.535 1257 T N 0.949 115.612 114.554 0.181 0.000 2.674 1257 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 1257 T C 2.769 177.585 174.700 0.193 0.000 1.039 1257 T CA 2.754 64.993 62.100 0.231 0.000 1.150 1257 T CB -0.368 68.647 68.868 0.246 0.000 0.864 1257 T HN 1.003 nan 8.240 nan 0.000 0.427 1258 A N 1.078 123.979 122.820 0.136 0.000 1.929 1258 A HA 0.350 4.670 4.320 -0.000 0.000 0.216 1258 A C 2.459 180.018 177.584 -0.042 0.000 1.176 1258 A CA 1.510 53.517 52.037 -0.049 0.000 0.628 1258 A CB -0.768 17.991 19.000 -0.402 0.000 0.816 1258 A HN 0.495 nan 8.150 nan 0.000 0.444 1259 A N -1.400 121.434 122.820 0.023 0.000 2.169 1259 A HA 0.281 4.601 4.320 -0.000 0.000 0.212 1259 A C 0.894 178.527 177.584 0.082 0.000 1.153 1259 A CA 1.082 53.184 52.037 0.107 0.000 0.756 1259 A CB -0.266 18.831 19.000 0.160 0.000 0.813 1259 A HN 0.591 nan 8.150 nan 0.000 0.471 1260 E N -1.602 118.630 120.200 0.053 0.000 3.289 1260 E HA -0.264 4.086 4.350 -0.000 0.000 0.386 1260 E C -0.407 176.097 176.600 -0.159 0.000 1.526 1260 E CA 1.693 58.060 56.400 -0.054 0.000 1.519 1260 E CB -1.050 28.714 29.700 0.107 0.000 1.657 1260 E HN 0.458 nan 8.360 nan 0.000 0.479 1261 I N 1.522 121.985 120.570 -0.178 0.000 2.464 1261 I HA 0.221 4.391 4.170 -0.000 0.000 0.277 1261 I C -0.717 175.389 176.117 -0.018 0.000 1.040 1261 I CA -0.251 60.950 61.300 -0.166 0.000 1.153 1261 I CB 1.541 39.288 38.000 -0.422 0.000 1.274 1261 I HN 0.142 nan 8.210 nan 0.000 0.469 1262 T N 6.792 121.395 114.554 0.080 0.000 2.749 1262 T HA 0.364 4.714 4.350 -0.000 0.000 0.287 1262 T C -2.491 172.301 174.700 0.154 0.000 0.970 1262 T CA -1.442 60.721 62.100 0.106 0.000 0.980 1262 T CB 1.316 70.254 68.868 0.117 0.000 0.924 1262 T HN 0.170 nan 8.240 nan 0.000 0.456 1263 P HA 0.288 nan 4.420 nan 0.000 0.275 1263 P C -0.925 176.465 177.300 0.151 0.000 1.228 1263 P CA -0.511 62.681 63.100 0.153 0.000 0.786 1263 P CB 0.618 32.370 31.700 0.085 0.000 0.927 1264 V N 4.315 124.331 119.914 0.170 0.000 2.334 1264 V HA 0.239 4.359 4.120 -0.000 0.000 0.281 1264 V C 1.529 177.697 176.094 0.123 0.000 1.016 1264 V CA -0.312 62.071 62.300 0.138 0.000 0.832 1264 V CB 0.895 32.798 31.823 0.133 0.000 0.999 1264 V HN 0.567 nan 8.190 nan 0.000 0.439 1265 R N 2.892 123.456 120.500 0.107 0.000 2.246 1265 R HA 0.197 4.537 4.340 -0.000 0.000 0.199 1265 R C 0.602 176.961 176.300 0.099 0.000 0.984 1265 R CA 0.621 56.778 56.100 0.095 0.000 1.015 1265 R CB 0.267 30.613 30.300 0.076 0.000 0.930 1265 R HN 0.650 nan 8.270 nan 0.000 0.475 1266 S N -0.693 115.077 115.700 0.116 0.000 2.537 1266 S HA 0.522 4.992 4.470 -0.000 0.000 0.271 1266 S C -1.045 173.649 174.600 0.156 0.000 1.148 1266 S CA -0.927 57.352 58.200 0.131 0.000 0.868 1266 S CB 2.434 65.709 63.200 0.124 0.000 1.115 1266 S HN -0.062 nan 8.310 nan 0.000 0.461 1267 V N 2.411 122.430 119.914 0.174 0.000 2.525 1267 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 1267 V C -0.691 175.532 176.094 0.216 0.000 1.034 1267 V CA -0.577 61.831 62.300 0.179 0.000 0.863 1267 V CB 1.128 33.059 31.823 0.180 0.000 0.999 1267 V HN 1.098 nan 8.190 nan 0.000 0.423 1268 D N 3.933 124.419 120.400 0.142 0.000 2.837 1268 D HA -0.197 4.443 4.640 -0.000 0.000 0.230 1268 D C 1.347 177.744 176.300 0.161 0.000 1.152 1268 D CA 1.924 55.998 54.000 0.123 0.000 0.736 1268 D CB -1.147 39.722 40.800 0.114 0.000 1.084 1268 D HN 1.517 nan 8.370 nan 0.000 0.429 1269 G N -0.824 108.111 108.800 0.225 0.000 2.176 1269 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 1269 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 1269 G C 0.376 175.310 174.900 0.057 0.000 0.979 1269 G CA 0.234 45.412 45.100 0.129 0.000 0.641 1269 G HN 0.524 nan 8.290 nan 0.000 0.530 1270 I N 1.651 122.250 120.570 0.048 0.000 2.315 1270 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 1270 I C 0.872 177.034 176.117 0.076 0.000 1.006 1270 I CA -0.490 60.817 61.300 0.013 0.000 1.265 1270 I CB 1.469 39.416 38.000 -0.089 0.000 1.387 1270 I HN 0.238 nan 8.210 nan 0.000 0.475 1271 Q N 5.253 125.087 119.800 0.057 0.000 2.337 1271 Q HA 0.189 4.529 4.340 -0.000 0.000 0.270 1271 Q C -1.057 174.992 176.000 0.081 0.000 1.002 1271 Q CA -0.275 55.569 55.803 0.068 0.000 0.888 1271 Q CB 1.104 29.871 28.738 0.048 0.000 1.222 1271 Q HN 0.472 nan 8.270 nan 0.000 0.400 1272 V N 5.599 125.567 119.914 0.090 0.000 2.364 1272 V HA 0.358 4.478 4.120 -0.000 0.000 0.272 1272 V C 1.136 177.277 176.094 0.078 0.000 1.036 1272 V CA 0.580 62.936 62.300 0.093 0.000 0.880 1272 V CB -0.025 31.859 31.823 0.103 0.000 0.991 1272 V HN 1.152 nan 8.190 nan 0.000 0.460 1273 G N 5.580 114.422 108.800 0.071 0.000 2.634 1273 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.318 1273 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.318 1273 G C 0.733 175.664 174.900 0.052 0.000 1.207 1273 G CA 0.846 45.984 45.100 0.062 0.000 0.987 1273 G HN 0.651 nan 8.290 nan 0.000 0.547 1274 E N 1.941 122.172 120.200 0.051 0.000 2.478 1274 E HA 0.385 4.735 4.350 -0.000 0.000 0.194 1274 E C 1.899 178.524 176.600 0.042 0.000 1.045 1274 E CA 1.841 58.267 56.400 0.042 0.000 0.868 1274 E CB -0.361 29.362 29.700 0.039 0.000 0.885 1274 E HN 1.943 nan 8.360 nan 0.000 0.505 1275 G N 0.735 109.565 108.800 0.051 0.000 2.148 1275 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 1275 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 1275 G C 0.313 175.242 174.900 0.048 0.000 0.981 1275 G CA 0.592 45.722 45.100 0.051 0.000 0.670 1275 G HN 0.244 nan 8.290 nan 0.000 0.528 1276 R N -1.695 118.834 120.500 0.049 0.000 2.885 1276 R HA 0.611 4.951 4.340 -0.000 0.000 0.260 1276 R C 0.229 176.559 176.300 0.050 0.000 1.107 1276 R CA -0.305 55.822 56.100 0.043 0.000 0.978 1276 R CB 0.672 30.992 30.300 0.033 0.000 1.227 1276 R HN 0.469 nan 8.270 nan 0.000 0.473 1277 C N 1.565 120.890 119.300 0.042 0.000 2.590 1277 C HA 0.311 4.771 4.460 -0.000 0.000 0.411 1277 C C 1.114 176.127 174.990 0.039 0.000 1.420 1277 C CA 0.117 59.159 59.018 0.040 0.000 1.643 1277 C CB -1.102 26.650 27.740 0.021 0.000 2.528 1277 C HN 0.769 nan 8.230 nan 0.000 0.606 1278 G N 6.977 115.808 108.800 0.052 0.000 2.572 1278 G HA2 0.420 4.380 3.960 -0.000 0.000 0.261 1278 G HA3 0.420 4.380 3.960 -0.000 0.000 0.261 1278 G C -1.143 173.777 174.900 0.033 0.000 1.197 1278 G CA -0.476 44.657 45.100 0.055 0.000 0.870 1278 G HN 0.639 nan 8.290 nan 0.000 0.548 1279 P HA -0.116 nan 4.420 nan 0.000 0.215 1279 P C 1.909 179.219 177.300 0.017 0.000 1.153 1279 P CA 0.819 63.934 63.100 0.026 0.000 0.853 1279 P CB 0.139 31.859 31.700 0.033 0.000 0.788 1280 V N 0.314 120.249 119.914 0.036 0.000 2.453 1280 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 1280 V C 2.670 178.741 176.094 -0.037 0.000 1.048 1280 V CA 2.426 64.745 62.300 0.032 0.000 1.049 1280 V CB -1.860 30.017 31.823 0.091 0.000 0.672 1280 V HN 0.178 nan 8.190 nan 0.000 0.457 1281 T N -0.575 113.938 114.554 -0.068 0.000 2.746 1281 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 1281 T C 2.052 176.611 174.700 -0.236 0.000 1.039 1281 T CA 1.158 63.077 62.100 -0.302 0.000 1.142 1281 T CB -0.195 68.542 68.868 -0.218 0.000 0.866 1281 T HN 0.264 nan 8.240 nan 0.000 0.444 1282 K N 1.163 121.503 120.400 -0.100 0.000 2.032 1282 K HA -0.025 4.295 4.320 -0.000 0.000 0.209 1282 K C 2.546 179.123 176.600 -0.039 0.000 1.048 1282 K CA 1.241 57.498 56.287 -0.050 0.000 0.927 1282 K CB -0.288 32.204 32.500 -0.013 0.000 0.712 1282 K HN 0.325 nan 8.250 nan 0.000 0.441 1283 R N 0.357 120.836 120.500 -0.035 0.000 2.091 1283 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 1283 R C 2.469 178.751 176.300 -0.029 0.000 1.136 1283 R CA 1.432 57.522 56.100 -0.016 0.000 0.959 1283 R CB -0.411 29.886 30.300 -0.004 0.000 0.856 1283 R HN 0.214 nan 8.270 nan 0.000 0.437 1284 I N 0.824 121.340 120.570 -0.090 0.000 2.252 1284 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1284 I C 2.467 178.521 176.117 -0.105 0.000 1.102 1284 I CA 1.350 62.575 61.300 -0.125 0.000 1.385 1284 I CB -0.339 37.499 38.000 -0.269 0.000 1.064 1284 I HN 0.267 nan 8.210 nan 0.000 0.414 1285 Q N 0.451 120.182 119.800 -0.115 0.000 2.050 1285 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 1285 Q C 2.277 178.385 176.000 0.180 0.000 0.980 1285 Q CA 1.574 57.386 55.803 0.014 0.000 0.840 1285 Q CB -0.192 28.595 28.738 0.080 0.000 0.898 1285 Q HN 0.586 nan 8.270 nan 0.000 0.424 1286 Q N 0.041 119.914 119.800 0.123 0.000 2.096 1286 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 1286 Q C 2.073 178.126 176.000 0.089 0.000 0.982 1286 Q CA 1.381 57.260 55.803 0.126 0.000 0.850 1286 Q CB -0.212 28.565 28.738 0.064 0.000 0.901 1286 Q HN 0.364 nan 8.270 nan 0.000 0.422 1287 A N 0.283 123.136 122.820 0.056 0.000 1.930 1287 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 1287 A C 1.818 179.405 177.584 0.006 0.000 1.175 1287 A CA 0.933 52.992 52.037 0.038 0.000 0.627 1287 A CB -0.614 18.419 19.000 0.054 0.000 0.815 1287 A HN 0.419 nan 8.150 nan 0.000 0.443 1288 F N -0.434 119.415 119.950 -0.168 0.000 2.060 1288 F HA -0.073 4.454 4.527 0.000 0.000 0.295 1288 F C 1.810 177.354 175.800 -0.427 0.000 1.120 1288 F CA 1.626 59.425 58.000 -0.336 0.000 1.205 1288 F CB -0.403 38.296 39.000 -0.501 0.000 0.986 1288 F HN 0.195 nan 8.300 nan 0.000 0.470 1289 F N 0.808 120.748 119.950 -0.018 0.000 2.451 1289 F HA 0.048 4.575 4.527 0.000 0.000 0.299 1289 F C 2.584 178.282 175.800 -0.170 0.000 1.101 1289 F CA 1.018 58.998 58.000 -0.033 0.000 1.436 1289 F CB -1.429 37.650 39.000 0.131 0.000 1.074 1289 F HN 0.086 nan 8.300 nan 0.000 0.553 1290 G N -0.147 108.623 108.800 -0.049 0.000 2.471 1290 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 1290 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 1290 G C 1.741 176.489 174.900 -0.253 0.000 1.125 1290 G CA 0.374 45.415 45.100 -0.098 0.000 0.775 1290 G HN 0.351 nan 8.290 nan 0.000 0.548 1291 L N -0.689 120.225 121.223 -0.515 0.000 2.191 1291 L HA 0.042 4.382 4.340 -0.000 0.000 0.212 1291 L C 1.994 178.525 176.870 -0.565 0.000 1.103 1291 L CA 0.745 55.217 54.840 -0.612 0.000 0.769 1291 L CB -0.256 41.247 42.059 -0.926 0.000 0.908 1291 L HN 0.243 nan 8.230 nan 0.000 0.438 1292 F N -2.163 117.743 119.950 -0.074 0.000 2.765 1292 F HA 0.059 4.586 4.527 -0.000 0.000 0.302 1292 F C 1.916 177.771 175.800 0.091 0.000 1.111 1292 F CA 0.113 58.142 58.000 0.048 0.000 1.359 1292 F CB -0.161 38.804 39.000 -0.059 0.000 1.097 1292 F HN -0.125 nan 8.300 nan 0.000 0.577 1293 T N -1.527 113.011 114.554 -0.027 0.000 2.969 1293 T HA 0.316 4.666 4.350 -0.000 0.000 0.250 1293 T C 1.819 176.208 174.700 -0.517 0.000 1.021 1293 T CA 0.783 62.806 62.100 -0.128 0.000 1.003 1293 T CB 0.608 69.444 68.868 -0.052 0.000 1.040 1293 T HN 0.370 nan 8.240 nan 0.000 0.492 1294 G N 1.711 110.097 108.800 -0.690 0.000 2.213 1294 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.226 1294 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.226 1294 G C 0.766 175.494 174.900 -0.286 0.000 0.992 1294 G CA 0.369 45.033 45.100 -0.727 0.000 0.632 1294 G HN 0.497 nan 8.290 nan 0.000 0.511 1295 E N 0.172 120.250 120.200 -0.203 0.000 2.150 1295 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 1295 E C 0.518 177.063 176.600 -0.092 0.000 0.985 1295 E CA 1.246 57.578 56.400 -0.114 0.000 0.814 1295 E CB -0.001 29.654 29.700 -0.075 0.000 0.752 1295 E HN 0.457 nan 8.360 nan 0.000 0.466 1296 T N 1.312 115.802 114.554 -0.106 0.000 2.749 1296 T HA 0.142 4.492 4.350 -0.000 0.000 0.287 1296 T C -0.372 174.290 174.700 -0.065 0.000 0.970 1296 T CA -0.462 61.600 62.100 -0.064 0.000 0.980 1296 T CB 1.552 70.389 68.868 -0.052 0.000 0.924 1296 T HN 0.050 nan 8.240 nan 0.000 0.456 1297 E N 2.571 122.728 120.200 -0.071 0.000 2.376 1297 E HA -0.011 4.339 4.350 -0.000 0.000 0.266 1297 E C -0.416 176.111 176.600 -0.122 0.000 1.009 1297 E CA -0.446 55.892 56.400 -0.104 0.000 0.902 1297 E CB 0.492 30.099 29.700 -0.156 0.000 0.972 1297 E HN 0.433 nan 8.360 nan 0.000 0.439 1298 D N 4.537 124.891 120.400 -0.076 0.000 2.508 1298 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 1298 D C 0.228 176.359 176.300 -0.281 0.000 1.171 1298 D CA 0.112 54.087 54.000 -0.041 0.000 1.006 1298 D CB 0.316 41.159 40.800 0.072 0.000 1.073 1298 D HN 0.381 nan 8.370 nan 0.000 0.513 1299 K N 1.791 121.732 120.400 -0.766 0.000 2.288 1299 K HA -0.014 4.306 4.320 -0.000 0.000 0.201 1299 K C 1.130 177.213 176.600 -0.861 0.000 1.048 1299 K CA 0.707 56.409 56.287 -0.976 0.000 0.956 1299 K CB 0.354 31.965 32.500 -1.483 0.000 0.746 1299 K HN 0.555 nan 8.250 nan 0.000 0.461 1300 W N 0.271 121.226 121.300 -0.574 0.000 3.211 1300 W HA 0.237 4.897 4.660 -0.000 0.000 0.292 1300 W C 0.611 176.927 176.519 -0.339 0.000 1.268 1300 W CA 0.199 57.196 57.345 -0.579 0.000 1.702 1300 W CB 0.182 28.967 29.460 -1.125 0.000 1.092 1300 W HN 0.212 nan 8.180 nan 0.000 0.643 1301 G N 0.716 109.504 108.800 -0.021 0.000 2.248 1301 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 1301 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 1301 G C 0.264 175.322 174.900 0.263 0.000 1.082 1301 G CA 0.041 45.200 45.100 0.097 0.000 0.863 1301 G HN 0.212 nan 8.290 nan 0.000 0.495 1302 W N -0.410 120.975 121.300 0.143 0.000 2.770 1302 W HA 0.350 5.010 4.660 -0.000 0.000 0.256 1302 W C 1.421 177.982 176.519 0.071 0.000 1.291 1302 W CA 0.053 57.408 57.345 0.017 0.000 1.396 1302 W CB -0.121 29.321 29.460 -0.029 0.000 1.114 1302 W HN 0.289 nan 8.180 nan 0.000 0.637 1303 L N 1.795 123.236 121.223 0.363 0.000 2.255 1303 L HA 0.203 4.543 4.340 -0.000 0.000 0.289 1303 L C -0.497 176.502 176.870 0.216 0.000 1.046 1303 L CA -0.286 54.745 54.840 0.317 0.000 0.816 1303 L CB 0.606 42.841 42.059 0.292 0.000 1.197 1303 L HN -0.325 nan 8.230 nan 0.000 0.427 1304 D N 3.264 123.788 120.400 0.207 0.000 2.373 1304 D HA 0.151 4.791 4.640 -0.000 0.000 0.227 1304 D C -0.227 176.150 176.300 0.129 0.000 1.091 1304 D CA -0.268 53.832 54.000 0.166 0.000 0.840 1304 D CB 0.952 41.884 40.800 0.219 0.000 1.060 1304 D HN 0.383 nan 8.370 nan 0.000 0.502 1305 Q N 2.552 122.410 119.800 0.097 0.000 2.311 1305 Q HA 0.079 4.419 4.340 -0.000 0.000 0.272 1305 Q C 0.910 176.945 176.000 0.059 0.000 1.012 1305 Q CA -0.318 55.526 55.803 0.068 0.000 0.891 1305 Q CB 1.845 30.610 28.738 0.044 0.000 1.201 1305 Q HN 0.449 nan 8.270 nan 0.000 0.391 1306 V N 2.884 122.823 119.914 0.042 0.000 2.488 1306 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 1306 V C 0.350 176.461 176.094 0.028 0.000 1.046 1306 V CA 1.274 63.590 62.300 0.028 0.000 1.053 1306 V CB -0.926 30.903 31.823 0.010 0.000 0.679 1306 V HN 1.015 nan 8.190 nan 0.000 0.458 1307 N N 0.000 118.716 118.700 0.027 0.000 1.763 1307 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1307 N CA 0.000 53.063 53.050 0.022 0.000 0.885 1307 N CB 0.000 38.501 38.487 0.023 0.000 1.341 1307 N HN 0.000 nan 8.380 nan 0.000 0.667