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 1tzz_1_A DATA FIRST_RESID 1006 DATA SEQUENCE VRIVDVREIT KPISSXXXXX XXXXTKMTTS LVAVVTDVVR EGKRVVGYGF DATA SEQUENCE NSNGRYGQGG LIRERFASRI LEADPKKLLN EAGDNLDPDK VWAAMMINEK DATA SEQUENCE PGGHGERSVA VGTIDMAVWD AVAKIAGKPL FRLLAERHGV KANPRVFVYA DATA SEQUENCE AGGYYXXXXG LSMLRGEMRG YLDRGYNVVK MKIGGAPIEE DRMRIEAVLE DATA SEQUENCE EIGKDAQLAV DANGRFNLET GIAYAKMLRD YPLFWYEEVG DPLDYALQAA DATA SEQUENCE LAEFYPGPMA TGENLFSHQD ARNLLRYGGM RPDRDWLQFD CALSYGLCEY DATA SEQUENCE QRTLEVLKTH GWSPSRCIPH GGHQMSLNIA AGLGLGGNES YPDLFQPYGG DATA SEQUENCE FPDGVRVENG HITMPDLPGI GFEGKSDLYK EMKALAE 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 1006 V HA 0.000 nan 4.120 nan 0.000 0.244 1006 V C 0.000 176.087 176.094 -0.012 0.000 1.182 1006 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 1006 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 1007 R N 4.132 124.625 120.500 -0.010 0.000 2.680 1007 R HA 0.773 5.113 4.340 -0.001 0.000 0.269 1007 R C -1.731 174.564 176.300 -0.009 0.000 1.026 1007 R CA -1.005 55.090 56.100 -0.009 0.000 0.889 1007 R CB 2.113 32.410 30.300 -0.005 0.000 1.241 1007 R HN 0.435 nan 8.270 nan 0.000 0.463 1008 I N 3.598 124.163 120.570 -0.008 0.000 2.308 1008 I HA 0.078 4.247 4.170 -0.001 0.000 0.293 1008 I C 1.101 177.218 176.117 -0.000 0.000 1.078 1008 I CA -0.519 60.778 61.300 -0.006 0.000 1.292 1008 I CB 1.671 39.669 38.000 -0.004 0.000 1.423 1008 I HN 0.545 nan 8.210 nan 0.000 0.493 1009 V N 4.724 124.639 119.914 0.001 0.000 2.453 1009 V HA -0.106 4.014 4.120 -0.001 0.000 0.247 1009 V C 0.623 176.722 176.094 0.008 0.000 1.048 1009 V CA 1.635 63.938 62.300 0.005 0.000 1.049 1009 V CB -0.464 31.363 31.823 0.006 0.000 0.672 1009 V HN 0.792 nan 8.190 nan 0.000 0.457 1010 D N -2.579 117.827 120.400 0.010 0.000 2.664 1010 D HA 0.496 5.135 4.640 -0.001 0.000 0.292 1010 D C -1.501 174.811 176.300 0.021 0.000 1.214 1010 D CA -0.259 53.751 54.000 0.016 0.000 0.932 1010 D CB 2.592 43.404 40.800 0.020 0.000 1.420 1010 D HN -0.199 nan 8.370 nan 0.000 0.471 1011 V N 1.994 121.926 119.914 0.029 0.000 2.675 1011 V HA 0.379 4.498 4.120 -0.001 0.000 0.266 1011 V C -0.449 175.674 176.094 0.048 0.000 0.974 1011 V CA -0.627 61.697 62.300 0.040 0.000 0.890 1011 V CB 1.234 33.083 31.823 0.043 0.000 1.055 1011 V HN 0.396 nan 8.190 nan 0.000 0.477 1012 R N 2.624 123.160 120.500 0.059 0.000 2.486 1012 R HA 0.758 5.097 4.340 -0.001 0.000 0.286 1012 R C -0.474 175.871 176.300 0.075 0.000 0.999 1012 R CA -0.588 55.549 56.100 0.063 0.000 0.993 1012 R CB 2.078 32.418 30.300 0.067 0.000 1.084 1012 R HN 0.605 nan 8.270 nan 0.000 0.487 1013 E N 2.929 123.166 120.200 0.061 0.000 2.356 1013 E HA 0.345 4.694 4.350 -0.001 0.000 0.275 1013 E C -1.619 175.009 176.600 0.046 0.000 0.904 1013 E CA -0.710 55.727 56.400 0.062 0.000 0.757 1013 E CB 2.145 31.880 29.700 0.058 0.000 1.232 1013 E HN 0.373 nan 8.360 nan 0.000 0.442 1014 I N 2.697 123.294 120.570 0.045 0.000 2.644 1014 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 1014 I C -1.310 174.823 176.117 0.026 0.000 1.180 1014 I CA -0.140 61.178 61.300 0.030 0.000 1.040 1014 I CB 2.108 40.122 38.000 0.024 0.000 1.255 1014 I HN 0.453 nan 8.210 nan 0.000 0.422 1015 T N 7.717 122.281 114.554 0.016 0.000 2.855 1015 T HA 0.626 4.976 4.350 -0.001 0.000 0.281 1015 T C -0.550 174.154 174.700 0.007 0.000 1.007 1015 T CA -0.635 61.469 62.100 0.008 0.000 1.009 1015 T CB 1.759 70.632 68.868 0.008 0.000 0.983 1015 T HN 0.464 nan 8.240 nan 0.000 0.455 1016 K N 2.263 122.665 120.400 0.003 0.000 2.536 1016 K HA 0.471 4.790 4.320 -0.001 0.000 0.269 1016 K C -2.946 173.658 176.600 0.007 0.000 0.965 1016 K CA -2.102 54.192 56.287 0.010 0.000 0.860 1016 K CB 2.192 34.706 32.500 0.024 0.000 1.423 1016 K HN 0.266 nan 8.250 nan 0.000 0.438 1017 P HA 0.065 nan 4.420 nan 0.000 0.270 1017 P C -0.587 176.725 177.300 0.020 0.000 1.223 1017 P CA -0.437 62.675 63.100 0.020 0.000 0.785 1017 P CB 0.406 32.118 31.700 0.021 0.000 0.923 1018 I N 0.897 121.480 120.570 0.021 0.000 2.662 1018 I HA 0.167 4.337 4.170 -0.001 0.000 0.291 1018 I C 0.412 176.559 176.117 0.050 0.000 1.046 1018 I CA 0.100 61.426 61.300 0.045 0.000 1.361 1018 I CB 0.705 38.744 38.000 0.064 0.000 1.429 1018 I HN 0.395 nan 8.210 nan 0.000 0.558 1019 S N 4.750 120.488 115.700 0.064 0.000 2.596 1019 S HA 0.526 4.995 4.470 -0.001 0.000 0.260 1019 S C 0.136 174.721 174.600 -0.026 0.000 1.336 1019 S CA -0.141 58.069 58.200 0.016 0.000 0.993 1019 S CB 0.519 63.725 63.200 0.009 0.000 0.923 1019 S HN 0.826 nan 8.310 nan 0.000 0.567 1031 K N 0.957 121.419 120.400 0.104 0.000 2.699 1031 K HA 0.456 4.776 4.320 -0.001 0.000 0.210 1031 K C -0.124 176.611 176.600 0.224 0.000 1.076 1031 K CA -0.434 55.929 56.287 0.126 0.000 1.109 1031 K CB 0.442 33.004 32.500 0.105 0.000 0.862 1031 K HN 0.124 nan 8.250 nan 0.000 0.470 1032 M N 2.348 122.026 119.600 0.130 0.000 2.250 1032 M HA 0.000 4.480 4.480 -0.001 0.000 0.325 1032 M C 0.216 176.544 176.300 0.048 0.000 1.084 1032 M CA 0.677 55.983 55.300 0.009 0.000 1.161 1032 M CB 0.472 32.992 32.600 -0.133 0.000 1.481 1032 M HN 0.321 nan 8.290 nan 0.000 0.449 1033 T N 0.235 114.809 114.554 0.033 0.000 2.883 1033 T HA 0.814 5.163 4.350 -0.001 0.000 0.296 1033 T C -0.743 173.905 174.700 -0.086 0.000 1.117 1033 T CA -0.935 61.171 62.100 0.011 0.000 1.006 1033 T CB 1.582 70.496 68.868 0.077 0.000 1.191 1033 T HN 0.597 nan 8.240 nan 0.000 0.508 1034 T N 1.732 116.205 114.554 -0.134 0.000 2.881 1034 T HA 0.624 4.974 4.350 -0.001 0.000 0.290 1034 T C -0.678 173.918 174.700 -0.173 0.000 1.000 1034 T CA -0.658 61.284 62.100 -0.263 0.000 0.978 1034 T CB 1.575 70.069 68.868 -0.624 0.000 0.997 1034 T HN 0.671 nan 8.240 nan 0.000 0.443 1035 S N 2.668 118.302 115.700 -0.110 0.000 2.433 1035 S HA 0.579 5.048 4.470 -0.001 0.000 0.310 1035 S C -0.674 173.940 174.600 0.023 0.000 1.097 1035 S CA -0.669 57.515 58.200 -0.027 0.000 1.103 1035 S CB 0.770 63.971 63.200 0.001 0.000 0.992 1035 S HN 0.547 nan 8.310 nan 0.000 0.469 1036 L N 5.368 126.629 121.223 0.062 0.000 2.309 1036 L HA 0.727 5.067 4.340 -0.001 0.000 0.282 1036 L C -0.874 176.077 176.870 0.135 0.000 1.036 1036 L CA -0.210 54.717 54.840 0.145 0.000 0.806 1036 L CB 1.257 43.408 42.059 0.153 0.000 1.220 1036 L HN 0.436 nan 8.230 nan 0.000 0.429 1037 V N 3.452 123.470 119.914 0.174 0.000 2.960 1037 V HA 0.932 5.051 4.120 -0.001 0.000 0.315 1037 V C -0.392 175.841 176.094 0.231 0.000 1.087 1037 V CA -0.490 61.905 62.300 0.159 0.000 0.982 1037 V CB 1.682 33.577 31.823 0.118 0.000 1.039 1037 V HN 0.955 nan 8.190 nan 0.000 0.437 1038 A N 2.276 125.205 122.820 0.181 0.000 2.375 1038 A HA 0.772 5.092 4.320 -0.001 0.000 0.295 1038 A C -1.146 176.460 177.584 0.037 0.000 1.066 1038 A CA -0.452 51.677 52.037 0.154 0.000 0.722 1038 A CB 1.657 20.807 19.000 0.250 0.000 1.206 1038 A HN 0.653 nan 8.150 nan 0.000 0.435 1039 V N 4.055 123.944 119.914 -0.041 0.000 2.304 1039 V HA 0.255 4.374 4.120 -0.001 0.000 0.269 1039 V C -0.018 176.036 176.094 -0.066 0.000 1.036 1039 V CA -0.348 61.933 62.300 -0.030 0.000 0.840 1039 V CB 0.984 32.798 31.823 -0.016 0.000 1.036 1039 V HN 0.641 nan 8.190 nan 0.000 0.466 1040 V N 5.140 125.035 119.914 -0.032 0.000 2.498 1040 V HA 0.538 4.657 4.120 -0.001 0.000 0.279 1040 V C 0.696 176.780 176.094 -0.017 0.000 1.048 1040 V CA -0.120 62.164 62.300 -0.027 0.000 0.967 1040 V CB 1.595 33.419 31.823 0.001 0.000 0.988 1040 V HN 0.961 nan 8.190 nan 0.000 0.473 1041 T N -0.280 114.263 114.554 -0.018 0.000 2.927 1041 T HA 0.420 4.770 4.350 -0.001 0.000 0.286 1041 T C 0.336 175.034 174.700 -0.003 0.000 1.040 1041 T CA -0.253 61.839 62.100 -0.012 0.000 1.010 1041 T CB 1.846 70.704 68.868 -0.018 0.000 1.177 1041 T HN 0.667 nan 8.240 nan 0.000 0.546 1042 D N -0.408 119.991 120.400 -0.002 0.000 2.349 1042 D HA 0.099 4.739 4.640 -0.001 0.000 0.214 1042 D C 0.323 176.624 176.300 0.002 0.000 1.063 1042 D CA -0.230 53.771 54.000 0.002 0.000 0.847 1042 D CB -0.423 40.378 40.800 0.001 0.000 0.933 1042 D HN 0.335 nan 8.370 nan 0.000 0.513 1043 V N 1.610 121.524 119.914 -0.000 0.000 2.583 1043 V HA 0.285 4.404 4.120 -0.001 0.000 0.287 1043 V C 0.602 176.700 176.094 0.006 0.000 1.051 1043 V CA -0.802 61.498 62.300 0.001 0.000 1.010 1043 V CB 1.408 33.228 31.823 -0.004 0.000 0.988 1043 V HN 0.224 nan 8.190 nan 0.000 0.478 1044 V N 3.721 123.640 119.914 0.009 0.000 2.581 1044 V HA 0.805 4.924 4.120 -0.001 0.000 0.303 1044 V C -0.438 175.664 176.094 0.014 0.000 1.041 1044 V CA -0.901 61.408 62.300 0.015 0.000 0.907 1044 V CB 1.955 33.787 31.823 0.016 0.000 0.994 1044 V HN 0.773 nan 8.190 nan 0.000 0.442 1045 R N 2.586 123.097 120.500 0.019 0.000 2.575 1045 R HA 0.369 4.709 4.340 -0.001 0.000 0.293 1045 R C 0.023 176.335 176.300 0.021 0.000 0.983 1045 R CA -0.047 56.063 56.100 0.017 0.000 0.887 1045 R CB 1.586 31.895 30.300 0.016 0.000 1.184 1045 R HN 1.218 nan 8.270 nan 0.000 0.445 1046 E N 0.378 120.588 120.200 0.017 0.000 2.165 1046 E HA -0.274 4.075 4.350 -0.001 0.000 0.203 1046 E C 0.201 176.814 176.600 0.023 0.000 1.335 1046 E CA 0.886 57.297 56.400 0.018 0.000 0.708 1046 E CB -1.828 27.882 29.700 0.017 0.000 1.105 1046 E HN 0.995 nan 8.360 nan 0.000 0.346 1047 G N 0.486 109.299 108.800 0.022 0.000 2.370 1047 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.295 1047 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.295 1047 G C -0.192 174.728 174.900 0.033 0.000 1.045 1047 G CA 0.698 45.813 45.100 0.025 0.000 1.199 1047 G HN 0.820 nan 8.290 nan 0.000 0.513 1048 K N -0.844 119.578 120.400 0.035 0.000 2.622 1048 K HA 0.407 4.726 4.320 -0.001 0.000 0.263 1048 K C -0.186 176.440 176.600 0.044 0.000 0.947 1048 K CA -0.694 55.621 56.287 0.048 0.000 0.885 1048 K CB 0.718 33.255 32.500 0.061 0.000 1.362 1048 K HN 0.461 nan 8.250 nan 0.000 0.413 1049 R N 3.016 123.545 120.500 0.048 0.000 2.401 1049 R HA 0.332 4.671 4.340 -0.001 0.000 0.299 1049 R C -0.646 175.679 176.300 0.041 0.000 1.064 1049 R CA -0.323 55.800 56.100 0.038 0.000 1.000 1049 R CB 0.736 31.058 30.300 0.037 0.000 0.973 1049 R HN 0.464 nan 8.270 nan 0.000 0.438 1050 V N 6.618 126.546 119.914 0.022 0.000 2.455 1050 V HA 0.284 4.404 4.120 -0.001 0.000 0.273 1050 V C -0.683 175.396 176.094 -0.025 0.000 1.045 1050 V CA -0.140 62.167 62.300 0.012 0.000 0.976 1050 V CB 1.256 33.082 31.823 0.005 0.000 0.993 1050 V HN 0.539 nan 8.190 nan 0.000 0.475 1051 V N 6.318 126.191 119.914 -0.067 0.000 2.604 1051 V HA 0.732 4.852 4.120 -0.001 0.000 0.305 1051 V C 0.637 176.478 176.094 -0.421 0.000 1.043 1051 V CA -0.102 62.062 62.300 -0.226 0.000 0.888 1051 V CB 1.712 33.383 31.823 -0.254 0.000 0.995 1051 V HN 1.010 nan 8.190 nan 0.000 0.429 1052 G N 2.593 111.175 108.800 -0.363 0.000 2.371 1052 G HA2 0.639 4.598 3.960 -0.001 0.000 0.326 1052 G HA3 0.639 4.598 3.960 -0.001 0.000 0.326 1052 G C -1.592 173.110 174.900 -0.331 0.000 1.127 1052 G CA -0.197 44.759 45.100 -0.239 0.000 0.885 1052 G HN 0.448 nan 8.290 nan 0.000 0.477 1053 Y N -0.077 120.397 120.300 0.290 0.000 2.524 1053 Y HA 0.773 5.322 4.550 -0.001 0.000 0.344 1053 Y C 0.689 176.745 175.900 0.261 0.000 1.012 1053 Y CA -0.678 57.555 58.100 0.222 0.000 1.068 1053 Y CB 2.819 41.352 38.460 0.121 0.000 1.249 1053 Y HN 0.859 nan 8.280 nan 0.000 0.468 1054 G N 1.002 109.990 108.800 0.314 0.000 2.673 1054 G HA2 0.645 4.605 3.960 -0.001 0.000 0.292 1054 G HA3 0.645 4.605 3.960 -0.001 0.000 0.292 1054 G C -1.981 173.011 174.900 0.154 0.000 1.450 1054 G CA -0.829 44.356 45.100 0.143 0.000 0.837 1054 G HN 0.594 nan 8.290 nan 0.000 0.505 1055 F N -1.112 118.838 119.950 -0.000 0.000 2.831 1055 F HA 0.680 5.206 4.527 -0.001 0.000 0.318 1055 F C -0.823 174.893 175.800 -0.139 0.000 1.174 1055 F CA -1.681 56.264 58.000 -0.092 0.000 0.918 1055 F CB 1.221 40.130 39.000 -0.151 0.000 1.364 1055 F HN 0.563 nan 8.300 nan 0.000 0.475 1056 N N 0.592 119.347 118.700 0.093 0.000 2.443 1056 N HA 0.370 5.109 4.740 -0.001 0.000 0.295 1056 N C -0.836 174.719 175.510 0.074 0.000 1.076 1056 N CA -0.459 52.591 53.050 0.000 0.000 0.919 1056 N CB 1.772 40.234 38.487 -0.041 0.000 1.176 1056 N HN 0.705 nan 8.380 nan 0.000 0.487 1057 S N 0.948 116.707 115.700 0.098 0.000 2.587 1057 S HA 0.006 4.476 4.470 -0.001 0.000 0.260 1057 S C 0.795 175.366 174.600 -0.048 0.000 1.353 1057 S CA -0.770 57.538 58.200 0.182 0.000 0.995 1057 S CB 0.093 63.494 63.200 0.334 0.000 0.912 1057 S HN 0.822 nan 8.310 nan 0.000 0.568 1058 N N -0.086 118.444 118.700 -0.282 0.000 2.399 1058 N HA 0.273 5.013 4.740 -0.001 0.000 0.250 1058 N C 0.994 176.345 175.510 -0.266 0.000 1.272 1058 N CA 0.384 53.074 53.050 -0.601 0.000 0.928 1058 N CB 0.356 37.858 38.487 -1.642 0.000 1.158 1058 N HN 0.859 nan 8.380 nan 0.000 0.463 1059 G N -0.065 108.554 108.800 -0.302 0.000 2.317 1059 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.227 1059 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.227 1059 G C -0.102 174.649 174.900 -0.247 0.000 1.042 1059 G CA -0.040 44.958 45.100 -0.170 0.000 0.623 1059 G HN 0.739 nan 8.290 nan 0.000 0.509 1060 R N -0.229 120.121 120.500 -0.250 0.000 2.670 1060 R HA 0.547 4.887 4.340 -0.001 0.000 0.289 1060 R C -0.708 175.406 176.300 -0.310 0.000 0.965 1060 R CA -0.893 55.035 56.100 -0.287 0.000 0.899 1060 R CB 1.238 31.431 30.300 -0.177 0.000 1.173 1060 R HN 0.186 nan 8.270 nan 0.000 0.456 1061 Y N 0.459 120.708 120.300 -0.085 0.000 2.702 1061 Y HA 0.041 4.591 4.550 -0.000 0.000 0.336 1061 Y C 1.675 177.523 175.900 -0.087 0.000 1.235 1061 Y CA 0.656 58.708 58.100 -0.079 0.000 1.492 1061 Y CB 0.203 38.625 38.460 -0.064 0.000 1.308 1061 Y HN 0.713 nan 8.280 nan 0.000 0.589 1062 G N 2.307 111.144 108.800 0.062 0.000 2.491 1062 G HA2 0.128 4.088 3.960 -0.001 0.000 0.238 1062 G HA3 0.128 4.088 3.960 -0.001 0.000 0.238 1062 G C -0.028 174.887 174.900 0.027 0.000 1.277 1062 G CA -0.635 44.469 45.100 0.007 0.000 0.851 1062 G HN 0.607 nan 8.290 nan 0.000 0.573 1063 Q N 1.704 121.507 119.800 0.005 0.000 2.263 1063 Q HA 0.184 4.523 4.340 -0.001 0.000 0.337 1063 Q C 1.777 177.796 176.000 0.033 0.000 0.906 1063 Q CA 0.026 55.838 55.803 0.015 0.000 1.124 1063 Q CB 0.755 29.489 28.738 -0.006 0.000 1.255 1063 Q HN 0.732 nan 8.270 nan 0.000 0.435 1064 G N 0.290 109.107 108.800 0.029 0.000 2.450 1064 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.220 1064 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.220 1064 G C 1.262 176.187 174.900 0.042 0.000 1.130 1064 G CA 0.902 46.025 45.100 0.037 0.000 0.760 1064 G HN 0.517 nan 8.290 nan 0.000 0.557 1065 G N 1.117 109.935 108.800 0.031 0.000 2.480 1065 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 1065 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 1065 G C 1.770 176.693 174.900 0.039 0.000 1.200 1065 G CA 0.795 45.909 45.100 0.023 0.000 0.782 1065 G HN 0.417 nan 8.290 nan 0.000 0.554 1066 L N 0.204 121.469 121.223 0.071 0.000 2.131 1066 L HA -0.009 4.331 4.340 -0.001 0.000 0.210 1066 L C 2.876 179.869 176.870 0.204 0.000 1.092 1066 L CA 0.469 55.383 54.840 0.123 0.000 0.759 1066 L CB -0.380 41.815 42.059 0.226 0.000 0.903 1066 L HN 0.223 nan 8.230 nan 0.000 0.435 1067 I N -0.339 120.357 120.570 0.211 0.000 2.163 1067 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 1067 I C 2.796 178.990 176.117 0.128 0.000 1.085 1067 I CA 1.455 62.890 61.300 0.225 0.000 1.347 1067 I CB -0.288 37.788 38.000 0.126 0.000 1.044 1067 I HN 0.242 nan 8.210 nan 0.000 0.408 1068 R N 0.610 121.152 120.500 0.069 0.000 2.057 1068 R HA -0.114 4.225 4.340 -0.001 0.000 0.229 1068 R C 2.198 178.496 176.300 -0.004 0.000 1.136 1068 R CA 1.281 57.399 56.100 0.031 0.000 0.952 1068 R CB -0.353 29.960 30.300 0.021 0.000 0.848 1068 R HN 0.403 nan 8.270 nan 0.000 0.430 1069 E N -0.196 119.993 120.200 -0.018 0.000 2.153 1069 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 1069 E C 1.997 178.522 176.600 -0.125 0.000 0.988 1069 E CA 1.014 57.379 56.400 -0.059 0.000 0.811 1069 E CB 0.125 29.792 29.700 -0.055 0.000 0.746 1069 E HN 0.208 nan 8.360 nan 0.000 0.466 1070 R N -1.271 119.110 120.500 -0.198 0.000 2.756 1070 R HA 0.073 4.412 4.340 -0.001 0.000 0.170 1070 R C 1.771 177.791 176.300 -0.467 0.000 0.800 1070 R CA 0.021 55.873 56.100 -0.413 0.000 1.052 1070 R CB 0.077 29.953 30.300 -0.706 0.000 1.437 1070 R HN 0.008 nan 8.270 nan 0.000 0.607 1071 F N 1.310 121.242 119.950 -0.030 0.000 2.149 1071 F HA 0.186 4.713 4.527 -0.001 0.000 0.294 1071 F C 2.466 178.249 175.800 -0.028 0.000 1.095 1071 F CA 1.148 59.125 58.000 -0.038 0.000 1.276 1071 F CB -0.693 38.281 39.000 -0.043 0.000 1.023 1071 F HN 0.146 nan 8.300 nan 0.000 0.480 1072 A N 0.550 123.456 122.820 0.142 0.000 1.892 1072 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 1072 A C 2.418 180.025 177.584 0.039 0.000 1.188 1072 A CA 2.749 54.835 52.037 0.082 0.000 0.631 1072 A CB -1.416 17.622 19.000 0.063 0.000 0.822 1072 A HN 0.435 nan 8.150 nan 0.000 0.447 1073 S N -0.191 115.515 115.700 0.009 0.000 2.382 1073 S HA -0.214 4.255 4.470 -0.001 0.000 0.228 1073 S C 1.960 176.555 174.600 -0.007 0.000 1.027 1073 S CA 1.329 59.525 58.200 -0.007 0.000 0.991 1073 S CB -0.488 62.695 63.200 -0.028 0.000 0.823 1073 S HN 0.619 nan 8.310 nan 0.000 0.469 1074 R N 0.722 121.216 120.500 -0.009 0.000 2.096 1074 R HA 0.132 4.472 4.340 -0.001 0.000 0.235 1074 R C 2.286 178.593 176.300 0.013 0.000 1.127 1074 R CA 1.694 57.791 56.100 -0.004 0.000 0.968 1074 R CB -0.556 29.742 30.300 -0.003 0.000 0.861 1074 R HN 0.483 nan 8.270 nan 0.000 0.440 1075 I N 0.548 121.135 120.570 0.027 0.000 2.233 1075 I HA -0.266 3.904 4.170 -0.001 0.000 0.243 1075 I C 2.122 178.248 176.117 0.015 0.000 1.093 1075 I CA 1.231 62.546 61.300 0.025 0.000 1.380 1075 I CB -0.228 37.792 38.000 0.034 0.000 1.067 1075 I HN 0.125 nan 8.210 nan 0.000 0.413 1076 L N 0.391 121.622 121.223 0.013 0.000 2.017 1076 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 1076 L C 2.125 178.997 176.870 0.004 0.000 1.073 1076 L CA 1.492 56.337 54.840 0.008 0.000 0.745 1076 L CB -0.627 41.437 42.059 0.008 0.000 0.894 1076 L HN 0.245 nan 8.230 nan 0.000 0.432 1077 E N 0.456 120.657 120.200 0.001 0.000 2.516 1077 E HA 0.069 4.419 4.350 -0.001 0.000 0.199 1077 E C 0.594 177.194 176.600 -0.000 0.000 1.069 1077 E CA -0.032 56.367 56.400 -0.002 0.000 0.876 1077 E CB 0.014 29.710 29.700 -0.007 0.000 0.843 1077 E HN 0.417 nan 8.360 nan 0.000 0.530 1078 A N 1.784 124.606 122.820 0.003 0.000 2.316 1078 A HA 0.088 4.408 4.320 -0.001 0.000 0.284 1078 A C -0.166 177.420 177.584 0.003 0.000 1.115 1078 A CA -0.651 51.388 52.037 0.004 0.000 0.812 1078 A CB 0.600 19.604 19.000 0.008 0.000 1.064 1078 A HN -0.031 nan 8.150 nan 0.000 0.489 1079 D N 2.620 123.021 120.400 0.003 0.000 2.349 1079 D HA 0.196 4.836 4.640 -0.001 0.000 0.266 1079 D C -1.548 174.752 176.300 0.001 0.000 1.293 1079 D CA -1.638 52.363 54.000 0.002 0.000 0.926 1079 D CB 0.817 41.618 40.800 0.002 0.000 1.090 1079 D HN 0.121 nan 8.370 nan 0.000 0.502 1080 P HA -0.205 nan 4.420 nan 0.000 0.217 1080 P C 0.826 178.123 177.300 -0.005 0.000 1.158 1080 P CA 1.644 64.742 63.100 -0.003 0.000 0.887 1080 P CB 0.144 31.842 31.700 -0.004 0.000 0.792 1081 K N -0.570 119.828 120.400 -0.003 0.000 2.589 1081 K HA -0.129 4.190 4.320 -0.001 0.000 0.195 1081 K C 1.267 177.865 176.600 -0.003 0.000 1.040 1081 K CA 0.949 57.234 56.287 -0.004 0.000 0.950 1081 K CB -0.217 32.282 32.500 -0.003 0.000 0.781 1081 K HN 0.286 nan 8.250 nan 0.000 0.486 1082 K N 0.164 120.563 120.400 -0.001 0.000 2.387 1082 K HA 0.173 4.492 4.320 -0.001 0.000 0.203 1082 K C 0.594 177.195 176.600 0.001 0.000 1.030 1082 K CA 0.011 56.299 56.287 0.001 0.000 1.099 1082 K CB 0.684 33.188 32.500 0.005 0.000 0.863 1082 K HN 0.037 nan 8.250 nan 0.000 0.529 1083 L N 1.481 122.701 121.223 -0.005 0.000 3.066 1083 L HA 0.331 4.671 4.340 -0.001 0.000 0.265 1083 L C -0.267 176.589 176.870 -0.024 0.000 1.232 1083 L CA -0.124 54.710 54.840 -0.010 0.000 1.031 1083 L CB 0.173 42.227 42.059 -0.010 0.000 1.379 1083 L HN -0.003 nan 8.230 nan 0.000 0.563 1084 L N -0.239 120.971 121.223 -0.021 0.000 2.313 1084 L HA 0.467 4.806 4.340 -0.001 0.000 0.268 1084 L C 0.097 176.949 176.870 -0.029 0.000 1.010 1084 L CA -1.001 53.822 54.840 -0.028 0.000 0.814 1084 L CB 1.199 43.246 42.059 -0.021 0.000 1.304 1084 L HN 0.156 nan 8.230 nan 0.000 0.441 1085 N N -0.365 118.315 118.700 -0.034 0.000 2.322 1085 N HA -0.005 4.735 4.740 -0.001 0.000 0.270 1085 N C 0.528 176.026 175.510 -0.020 0.000 1.286 1085 N CA -0.454 52.577 53.050 -0.031 0.000 0.948 1085 N CB 0.354 38.821 38.487 -0.035 0.000 1.164 1085 N HN 0.601 nan 8.380 nan 0.000 0.551 1086 E N -0.233 119.957 120.200 -0.017 0.000 2.033 1086 E HA -0.131 4.218 4.350 -0.001 0.000 0.199 1086 E C 1.609 178.203 176.600 -0.011 0.000 1.011 1086 E CA 2.258 58.651 56.400 -0.012 0.000 0.815 1086 E CB -0.884 28.809 29.700 -0.010 0.000 0.755 1086 E HN 0.699 nan 8.360 nan 0.000 0.451 1087 A N -0.566 122.248 122.820 -0.011 0.000 2.248 1087 A HA 0.178 4.498 4.320 -0.001 0.000 0.210 1087 A C 1.832 179.410 177.584 -0.010 0.000 1.174 1087 A CA 1.205 53.236 52.037 -0.009 0.000 0.750 1087 A CB -1.076 17.919 19.000 -0.008 0.000 0.780 1087 A HN 0.551 nan 8.150 nan 0.000 0.478 1088 G N 0.472 109.264 108.800 -0.013 0.000 2.212 1088 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.267 1088 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.267 1088 G C 0.398 175.289 174.900 -0.014 0.000 1.002 1088 G CA 0.862 45.954 45.100 -0.013 0.000 0.729 1088 G HN 0.884 nan 8.290 nan 0.000 0.517 1089 D N -0.918 119.473 120.400 -0.015 0.000 2.368 1089 D HA 0.190 4.829 4.640 -0.001 0.000 0.218 1089 D C 0.488 176.776 176.300 -0.018 0.000 1.112 1089 D CA -0.093 53.898 54.000 -0.014 0.000 0.834 1089 D CB 0.280 41.074 40.800 -0.010 0.000 0.953 1089 D HN 0.298 nan 8.370 nan 0.000 0.505 1090 N N -0.018 118.667 118.700 -0.026 0.000 3.127 1090 N HA 0.221 4.961 4.740 -0.001 0.000 0.239 1090 N C -1.396 174.083 175.510 -0.052 0.000 1.407 1090 N CA -0.539 52.489 53.050 -0.037 0.000 0.891 1090 N CB 1.469 39.933 38.487 -0.039 0.000 1.447 1090 N HN -0.089 nan 8.380 nan 0.000 0.507 1091 L N 0.870 122.052 121.223 -0.069 0.000 2.426 1091 L HA 0.218 4.558 4.340 -0.001 0.000 0.271 1091 L C 0.491 177.284 176.870 -0.129 0.000 1.169 1091 L CA -0.069 54.718 54.840 -0.088 0.000 0.836 1091 L CB 0.389 42.389 42.059 -0.097 0.000 1.112 1091 L HN 0.453 nan 8.230 nan 0.000 0.465 1092 D N 4.100 124.430 120.400 -0.117 0.000 2.443 1092 D HA 0.198 4.837 4.640 -0.001 0.000 0.221 1092 D C -1.832 174.357 176.300 -0.185 0.000 1.097 1092 D CA -1.875 52.041 54.000 -0.139 0.000 0.865 1092 D CB 1.883 42.640 40.800 -0.073 0.000 1.034 1092 D HN 0.179 nan 8.370 nan 0.000 0.511 1093 P HA -0.156 nan 4.420 nan 0.000 0.216 1093 P C 0.826 178.054 177.300 -0.120 0.000 1.154 1093 P CA 1.054 63.868 63.100 -0.477 0.000 0.865 1093 P CB 0.410 31.329 31.700 -1.302 0.000 0.789 1094 D N -0.882 119.485 120.400 -0.055 0.000 2.144 1094 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 1094 D C 1.798 178.176 176.300 0.129 0.000 0.978 1094 D CA 1.068 55.111 54.000 0.071 0.000 0.833 1094 D CB -0.192 40.621 40.800 0.023 0.000 0.961 1094 D HN 0.276 nan 8.370 nan 0.000 0.470 1095 K N 0.512 120.944 120.400 0.054 0.000 2.057 1095 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 1095 K C 2.232 178.882 176.600 0.083 0.000 1.050 1095 K CA 0.518 56.842 56.287 0.061 0.000 0.935 1095 K CB 0.063 32.573 32.500 0.016 0.000 0.715 1095 K HN -0.031 nan 8.250 nan 0.000 0.439 1096 V N 0.009 119.960 119.914 0.062 0.000 2.358 1096 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 1096 V C 1.871 178.040 176.094 0.125 0.000 1.047 1096 V CA 1.565 63.901 62.300 0.061 0.000 1.035 1096 V CB -0.513 31.319 31.823 0.015 0.000 0.658 1096 V HN 0.461 nan 8.190 nan 0.000 0.452 1097 W N 1.035 122.341 121.300 0.011 0.000 2.333 1097 W HA -0.226 4.434 4.660 -0.001 0.000 0.316 1097 W C 2.529 179.084 176.519 0.061 0.000 1.215 1097 W CA 2.399 59.775 57.345 0.052 0.000 1.278 1097 W CB -0.353 29.150 29.460 0.072 0.000 1.154 1097 W HN 0.183 nan 8.180 nan 0.000 0.486 1098 A N 0.293 123.349 122.820 0.393 0.000 1.972 1098 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 1098 A C 2.006 179.637 177.584 0.077 0.000 1.169 1098 A CA 2.374 54.562 52.037 0.253 0.000 0.635 1098 A CB -1.448 17.693 19.000 0.235 0.000 0.810 1098 A HN 0.397 nan 8.150 nan 0.000 0.446 1099 A N 0.464 123.323 122.820 0.063 0.000 1.898 1099 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 1099 A C 2.253 179.845 177.584 0.014 0.000 1.181 1099 A CA 1.827 53.884 52.037 0.033 0.000 0.620 1099 A CB -0.625 18.395 19.000 0.033 0.000 0.819 1099 A HN 0.844 nan 8.150 nan 0.000 0.442 1100 M N -2.936 116.660 119.600 -0.007 0.000 2.619 1100 M HA 0.221 4.701 4.480 -0.001 0.000 0.251 1100 M C 0.978 177.327 176.300 0.082 0.000 1.106 1100 M CA 1.099 56.433 55.300 0.057 0.000 1.086 1100 M CB 0.033 32.674 32.600 0.069 0.000 1.465 1100 M HN 0.112 nan 8.290 nan 0.000 0.506 1101 M N 2.258 121.797 119.600 -0.101 0.000 2.419 1101 M HA 0.382 4.861 4.480 -0.001 0.000 0.252 1101 M C 0.442 176.734 176.300 -0.015 0.000 1.143 1101 M CA -0.354 54.878 55.300 -0.113 0.000 0.985 1101 M CB -0.624 31.693 32.600 -0.472 0.000 1.489 1101 M HN 0.422 nan 8.290 nan 0.000 0.484 1102 I N -0.834 119.737 120.570 0.002 0.000 2.779 1102 I HA 0.155 4.324 4.170 -0.001 0.000 0.285 1102 I C 0.350 176.464 176.117 -0.005 0.000 1.134 1102 I CA -0.108 61.196 61.300 0.006 0.000 1.398 1102 I CB 0.264 38.266 38.000 0.003 0.000 1.404 1102 I HN 0.291 nan 8.210 nan 0.000 0.587 1103 N N 1.644 120.343 118.700 -0.002 0.000 2.747 1103 N HA -0.167 4.573 4.740 -0.001 0.000 0.249 1103 N C -0.871 174.635 175.510 -0.007 0.000 1.107 1103 N CA 0.935 53.977 53.050 -0.013 0.000 0.707 1103 N CB -1.021 37.444 38.487 -0.038 0.000 1.054 1103 N HN 0.699 nan 8.380 nan 0.000 0.555 1104 E N 0.836 121.050 120.200 0.023 0.000 2.165 1104 E HA 0.290 4.640 4.350 -0.001 0.000 0.266 1104 E C 0.344 176.975 176.600 0.052 0.000 0.889 1104 E CA -0.403 56.028 56.400 0.051 0.000 0.756 1104 E CB 1.593 31.355 29.700 0.103 0.000 1.131 1104 E HN 0.123 nan 8.360 nan 0.000 0.411 1105 K N 2.577 123.001 120.400 0.040 0.000 2.219 1105 K HA 0.278 4.597 4.320 -0.001 0.000 0.258 1105 K C -2.089 174.535 176.600 0.039 0.000 1.008 1105 K CA -1.402 54.905 56.287 0.032 0.000 0.928 1105 K CB -0.015 32.494 32.500 0.016 0.000 0.983 1105 K HN 0.180 nan 8.250 nan 0.000 0.484 1106 P HA 0.059 nan 4.420 nan 0.000 0.270 1106 P C 0.020 177.296 177.300 -0.039 0.000 1.223 1106 P CA 0.110 63.233 63.100 0.038 0.000 0.785 1106 P CB 0.474 32.202 31.700 0.046 0.000 0.923 1107 G N 0.349 109.067 108.800 -0.136 0.000 2.796 1107 G HA2 0.237 4.196 3.960 -0.001 0.000 0.226 1107 G HA3 0.237 4.196 3.960 -0.001 0.000 0.226 1107 G C 0.409 175.003 174.900 -0.511 0.000 1.381 1107 G CA 0.224 45.094 45.100 -0.384 0.000 0.867 1107 G HN 1.265 nan 8.290 nan 0.000 0.552 1108 G N -1.632 106.948 108.800 -0.367 0.000 2.298 1108 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.287 1108 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.287 1108 G C 0.230 175.061 174.900 -0.115 0.000 1.075 1108 G CA 0.939 45.937 45.100 -0.169 0.000 0.960 1108 G HN 1.704 nan 8.290 nan 0.000 0.502 1109 H N 0.433 119.616 119.070 0.188 0.000 3.045 1109 H HA 0.453 5.008 4.556 -0.001 0.000 0.254 1109 H C 1.110 176.518 175.328 0.133 0.000 1.747 1109 H CA 0.779 56.975 56.048 0.248 0.000 1.444 1109 H CB 0.195 30.171 29.762 0.357 0.000 1.778 1109 H HN 0.535 nan 8.280 nan 0.000 0.544 1110 G N 1.391 110.232 108.800 0.067 0.000 3.244 1110 G HA2 0.027 3.986 3.960 -0.001 0.000 0.197 1110 G HA3 0.027 3.986 3.960 -0.001 0.000 0.197 1110 G C 0.873 175.634 174.900 -0.232 0.000 1.531 1110 G CA -0.287 44.759 45.100 -0.090 0.000 0.747 1110 G HN 0.233 nan 8.290 nan 0.000 0.763 1111 E N 0.626 120.739 120.200 -0.145 0.000 2.114 1111 E HA -0.187 4.162 4.350 -0.001 0.000 0.199 1111 E C 2.492 179.007 176.600 -0.142 0.000 1.008 1111 E CA 1.705 58.024 56.400 -0.134 0.000 0.810 1111 E CB -0.246 29.425 29.700 -0.047 0.000 0.739 1111 E HN 0.554 nan 8.360 nan 0.000 0.456 1112 R N 0.517 120.971 120.500 -0.076 0.000 2.152 1112 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 1112 R C 2.146 178.211 176.300 -0.392 0.000 1.117 1112 R CA 1.656 57.718 56.100 -0.062 0.000 0.981 1112 R CB -0.634 29.785 30.300 0.197 0.000 0.870 1112 R HN 0.237 nan 8.270 nan 0.000 0.451 1113 S N 0.689 116.015 115.700 -0.623 0.000 2.402 1113 S HA -0.062 4.408 4.470 -0.001 0.000 0.229 1113 S C 2.036 176.301 174.600 -0.558 0.000 1.021 1113 S CA 1.035 58.546 58.200 -1.149 0.000 0.974 1113 S CB -0.308 62.265 63.200 -1.046 0.000 0.800 1113 S HN 0.179 nan 8.310 nan 0.000 0.484 1114 V N 2.349 122.021 119.914 -0.404 0.000 2.379 1114 V HA 0.002 4.121 4.120 -0.001 0.000 0.245 1114 V C 3.157 179.130 176.094 -0.201 0.000 1.044 1114 V CA 1.415 63.561 62.300 -0.257 0.000 1.036 1114 V CB -1.483 30.201 31.823 -0.231 0.000 0.664 1114 V HN 0.656 nan 8.190 nan 0.000 0.453 1115 A N 0.038 122.721 122.820 -0.229 0.000 1.877 1115 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 1115 A C 2.381 179.772 177.584 -0.323 0.000 1.186 1115 A CA 2.166 54.075 52.037 -0.213 0.000 0.620 1115 A CB -0.719 18.189 19.000 -0.154 0.000 0.822 1115 A HN 0.326 nan 8.150 nan 0.000 0.443 1116 V N -0.112 119.503 119.914 -0.499 0.000 2.427 1116 V HA -0.135 3.985 4.120 -0.001 0.000 0.248 1116 V C 2.780 178.826 176.094 -0.080 0.000 1.051 1116 V CA 1.788 63.846 62.300 -0.404 0.000 1.048 1116 V CB -1.348 30.254 31.823 -0.368 0.000 0.666 1116 V HN 0.624 nan 8.190 nan 0.000 0.456 1117 G N 0.470 109.243 108.800 -0.045 0.000 2.422 1117 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 1117 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 1117 G C 1.787 176.703 174.900 0.026 0.000 1.146 1117 G CA 1.677 46.812 45.100 0.059 0.000 0.769 1117 G HN 0.574 nan 8.290 nan 0.000 0.547 1118 T N -0.275 114.260 114.554 -0.031 0.000 2.777 1118 T HA 0.032 4.382 4.350 -0.001 0.000 0.266 1118 T C 2.394 177.112 174.700 0.029 0.000 1.040 1118 T CA 1.014 63.100 62.100 -0.023 0.000 1.141 1118 T CB -0.244 68.612 68.868 -0.018 0.000 0.868 1118 T HN 0.245 nan 8.240 nan 0.000 0.444 1119 I N 2.123 122.706 120.570 0.023 0.000 2.252 1119 I HA -0.134 4.036 4.170 -0.001 0.000 0.245 1119 I C 2.837 179.022 176.117 0.113 0.000 1.102 1119 I CA 1.744 63.076 61.300 0.053 0.000 1.385 1119 I CB -0.489 37.518 38.000 0.012 0.000 1.064 1119 I HN 0.342 nan 8.210 nan 0.000 0.414 1120 D N 1.206 121.704 120.400 0.162 0.000 2.123 1120 D HA -0.276 4.364 4.640 -0.001 0.000 0.196 1120 D C 2.253 178.768 176.300 0.358 0.000 0.992 1120 D CA 1.550 55.739 54.000 0.315 0.000 0.833 1120 D CB -0.033 41.030 40.800 0.438 0.000 0.954 1120 D HN 0.293 nan 8.370 nan 0.000 0.455 1121 M N 0.372 120.106 119.600 0.224 0.000 2.108 1121 M HA -0.203 4.277 4.480 -0.001 0.000 0.261 1121 M C 2.222 178.671 176.300 0.249 0.000 1.066 1121 M CA 2.021 57.435 55.300 0.189 0.000 1.107 1121 M CB -0.067 32.550 32.600 0.028 0.000 1.356 1121 M HN 0.101 nan 8.290 nan 0.000 0.406 1122 A N -0.685 122.257 122.820 0.204 0.000 1.930 1122 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 1122 A C 2.014 179.677 177.584 0.133 0.000 1.175 1122 A CA 1.587 53.733 52.037 0.182 0.000 0.627 1122 A CB -0.998 18.079 19.000 0.128 0.000 0.815 1122 A HN 0.413 nan 8.150 nan 0.000 0.443 1123 V N -2.010 117.976 119.914 0.118 0.000 2.287 1123 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 1123 V C 2.274 178.359 176.094 -0.015 0.000 1.053 1123 V CA 2.006 64.315 62.300 0.015 0.000 1.027 1123 V CB -1.035 30.768 31.823 -0.034 0.000 0.646 1123 V HN 0.801 nan 8.190 nan 0.000 0.447 1124 W N 0.264 121.603 121.300 0.064 0.000 2.388 1124 W HA -0.127 4.533 4.660 -0.001 0.000 0.294 1124 W C 2.355 178.895 176.519 0.035 0.000 1.212 1124 W CA 1.515 58.890 57.345 0.050 0.000 1.271 1124 W CB -0.444 29.047 29.460 0.051 0.000 1.126 1124 W HN 0.328 nan 8.180 nan 0.000 0.535 1125 D N -0.107 120.452 120.400 0.266 0.000 2.097 1125 D HA -0.196 4.444 4.640 -0.001 0.000 0.195 1125 D C 2.178 178.542 176.300 0.106 0.000 0.989 1125 D CA 2.150 56.253 54.000 0.172 0.000 0.827 1125 D CB -0.411 40.528 40.800 0.231 0.000 0.966 1125 D HN -0.006 nan 8.370 nan 0.000 0.456 1126 A N -0.114 122.745 122.820 0.065 0.000 1.873 1126 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 1126 A C 2.578 180.164 177.584 0.003 0.000 1.186 1126 A CA 1.594 53.637 52.037 0.010 0.000 0.616 1126 A CB -0.963 18.023 19.000 -0.024 0.000 0.823 1126 A HN 0.198 nan 8.150 nan 0.000 0.442 1127 V N -0.001 119.903 119.914 -0.017 0.000 2.324 1127 V HA -0.321 3.798 4.120 -0.001 0.000 0.250 1127 V C 3.038 179.140 176.094 0.013 0.000 1.060 1127 V CA 2.196 64.468 62.300 -0.047 0.000 1.042 1127 V CB -1.190 30.534 31.823 -0.164 0.000 0.650 1127 V HN 0.634 nan 8.190 nan 0.000 0.450 1128 A N -0.711 122.151 122.820 0.071 0.000 1.930 1128 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 1128 A C 2.280 179.882 177.584 0.029 0.000 1.175 1128 A CA 1.769 53.847 52.037 0.068 0.000 0.627 1128 A CB -0.377 18.679 19.000 0.094 0.000 0.815 1128 A HN 0.551 nan 8.150 nan 0.000 0.443 1129 K N -0.319 120.099 120.400 0.030 0.000 2.057 1129 K HA -0.020 4.299 4.320 -0.001 0.000 0.207 1129 K C 1.745 178.351 176.600 0.009 0.000 1.049 1129 K CA 1.501 57.800 56.287 0.020 0.000 0.931 1129 K CB -0.351 32.166 32.500 0.028 0.000 0.714 1129 K HN 0.510 nan 8.250 nan 0.000 0.440 1130 I N 0.952 121.524 120.570 0.004 0.000 2.286 1130 I HA -0.261 3.909 4.170 -0.001 0.000 0.248 1130 I C 2.287 178.402 176.117 -0.003 0.000 1.115 1130 I CA 1.051 62.349 61.300 -0.003 0.000 1.392 1130 I CB -0.296 37.696 38.000 -0.013 0.000 1.065 1130 I HN 0.155 nan 8.210 nan 0.000 0.418 1131 A N 0.330 123.149 122.820 -0.001 0.000 2.167 1131 A HA 0.188 4.508 4.320 -0.001 0.000 0.214 1131 A C 1.844 179.424 177.584 -0.006 0.000 1.151 1131 A CA 0.881 52.916 52.037 -0.002 0.000 0.735 1131 A CB -0.679 18.324 19.000 0.006 0.000 0.802 1131 A HN 0.578 nan 8.150 nan 0.000 0.467 1132 G N -0.257 108.540 108.800 -0.005 0.000 2.198 1132 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.257 1132 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.257 1132 G C -0.068 174.817 174.900 -0.024 0.000 1.042 1132 G CA 0.737 45.831 45.100 -0.010 0.000 0.791 1132 G HN 1.102 nan 8.290 nan 0.000 0.502 1133 K N -1.940 118.440 120.400 -0.034 0.000 2.555 1133 K HA 0.715 5.035 4.320 -0.001 0.000 0.279 1133 K C -3.431 173.108 176.600 -0.102 0.000 0.986 1133 K CA -2.520 53.722 56.287 -0.074 0.000 0.880 1133 K CB 1.740 34.189 32.500 -0.085 0.000 1.474 1133 K HN -0.064 nan 8.250 nan 0.000 0.433 1134 P HA -0.045 nan 4.420 nan 0.000 0.268 1134 P C 0.461 177.622 177.300 -0.233 0.000 1.205 1134 P CA -0.486 62.465 63.100 -0.248 0.000 0.771 1134 P CB 0.428 31.793 31.700 -0.558 0.000 0.858 1135 L N 4.754 125.941 121.223 -0.059 0.000 2.042 1135 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 1135 L C 1.905 178.784 176.870 0.015 0.000 1.076 1135 L CA 1.958 56.813 54.840 0.024 0.000 0.749 1135 L CB -1.582 40.518 42.059 0.069 0.000 0.893 1135 L HN 0.447 nan 8.230 nan 0.000 0.432 1136 F N -1.186 118.758 119.950 -0.011 0.000 2.216 1136 F HA -0.089 4.437 4.527 -0.001 0.000 0.300 1136 F C 2.213 178.017 175.800 0.007 0.000 1.085 1136 F CA 0.864 58.853 58.000 -0.018 0.000 1.326 1136 F CB -0.889 38.100 39.000 -0.019 0.000 1.027 1136 F HN -0.074 nan 8.300 nan 0.000 0.497 1137 R N 0.992 121.092 120.500 -0.666 0.000 2.066 1137 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 1137 R C 2.261 178.482 176.300 -0.131 0.000 1.131 1137 R CA 1.300 57.151 56.100 -0.415 0.000 0.955 1137 R CB -1.337 28.646 30.300 -0.529 0.000 0.851 1137 R HN 0.419 nan 8.270 nan 0.000 0.432 1138 L N 1.209 122.376 121.223 -0.094 0.000 2.046 1138 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 1138 L C 2.197 179.129 176.870 0.103 0.000 1.077 1138 L CA 1.525 56.381 54.840 0.026 0.000 0.747 1138 L CB -0.542 41.562 42.059 0.076 0.000 0.896 1138 L HN 0.081 nan 8.230 nan 0.000 0.432 1139 L N -0.789 120.494 121.223 0.100 0.000 2.046 1139 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 1139 L C 2.674 179.653 176.870 0.182 0.000 1.077 1139 L CA 1.268 56.190 54.840 0.137 0.000 0.747 1139 L CB -0.892 41.167 42.059 0.001 0.000 0.896 1139 L HN 0.403 nan 8.230 nan 0.000 0.432 1140 A N -0.314 122.570 122.820 0.106 0.000 1.902 1140 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 1140 A C 2.156 179.821 177.584 0.135 0.000 1.181 1140 A CA 1.772 53.877 52.037 0.112 0.000 0.623 1140 A CB -0.476 18.581 19.000 0.096 0.000 0.818 1140 A HN 0.437 nan 8.150 nan 0.000 0.443 1141 E N -0.577 119.683 120.200 0.100 0.000 2.038 1141 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 1141 E C 2.311 178.968 176.600 0.096 0.000 1.000 1141 E CA 1.327 57.775 56.400 0.079 0.000 0.803 1141 E CB -0.168 29.562 29.700 0.050 0.000 0.750 1141 E HN 0.544 nan 8.360 nan 0.000 0.448 1142 R N -0.320 120.259 120.500 0.133 0.000 2.159 1142 R HA -0.127 4.213 4.340 -0.001 0.000 0.237 1142 R C 1.450 177.751 176.300 0.003 0.000 1.131 1142 R CA 1.120 57.275 56.100 0.090 0.000 0.982 1142 R CB -0.194 30.198 30.300 0.154 0.000 0.868 1142 R HN 0.262 nan 8.270 nan 0.000 0.453 1143 H N -1.179 117.919 119.070 0.048 0.000 2.529 1143 H HA 0.217 4.772 4.556 -0.001 0.000 0.277 1143 H C 0.891 176.239 175.328 0.034 0.000 1.004 1143 H CA 0.485 56.556 56.048 0.039 0.000 1.167 1143 H CB 0.708 30.494 29.762 0.041 0.000 1.445 1143 H HN 0.370 nan 8.280 nan 0.000 0.554 1144 G N 0.869 109.732 108.800 0.106 0.000 2.249 1144 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.273 1144 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.273 1144 G C 0.224 175.170 174.900 0.076 0.000 1.036 1144 G CA 0.688 45.830 45.100 0.070 0.000 0.824 1144 G HN 0.548 nan 8.290 nan 0.000 0.504 1145 V N -5.324 114.646 119.914 0.094 0.000 3.182 1145 V HA 0.862 4.981 4.120 -0.001 0.000 0.308 1145 V C -0.038 176.101 176.094 0.075 0.000 1.240 1145 V CA -1.896 60.451 62.300 0.079 0.000 1.063 1145 V CB 1.735 33.608 31.823 0.084 0.000 1.076 1145 V HN 0.200 nan 8.190 nan 0.000 0.446 1146 K N 1.172 121.612 120.400 0.067 0.000 2.130 1146 K HA 0.794 5.114 4.320 -0.001 0.000 0.268 1146 K C -0.004 176.651 176.600 0.091 0.000 0.983 1146 K CA -0.067 56.263 56.287 0.072 0.000 0.893 1146 K CB 1.864 34.401 32.500 0.060 0.000 1.066 1146 K HN 1.097 nan 8.250 nan 0.000 0.450 1147 A N 2.236 125.132 122.820 0.127 0.000 2.304 1147 A HA 0.185 4.504 4.320 -0.001 0.000 0.271 1147 A C -0.222 177.454 177.584 0.153 0.000 1.091 1147 A CA -0.394 51.753 52.037 0.182 0.000 0.812 1147 A CB 0.305 19.524 19.000 0.365 0.000 1.056 1147 A HN 0.714 nan 8.150 nan 0.000 0.489 1148 N N 1.313 120.076 118.700 0.106 0.000 2.518 1148 N HA 0.316 5.056 4.740 -0.001 0.000 0.254 1148 N C -2.023 173.472 175.510 -0.026 0.000 0.979 1148 N CA -2.105 50.977 53.050 0.053 0.000 0.930 1148 N CB 1.738 40.253 38.487 0.046 0.000 1.152 1148 N HN 0.289 nan 8.380 nan 0.000 0.505 1149 P HA -0.069 nan 4.420 nan 0.000 0.226 1149 P C 0.083 177.275 177.300 -0.181 0.000 1.153 1149 P CA 0.435 63.392 63.100 -0.239 0.000 0.777 1149 P CB 0.565 32.199 31.700 -0.110 0.000 0.794 1150 R N 0.912 121.368 120.500 -0.074 0.000 2.216 1150 R HA 0.372 4.712 4.340 -0.001 0.000 0.332 1150 R C -1.017 175.313 176.300 0.049 0.000 1.056 1150 R CA -0.208 55.877 56.100 -0.025 0.000 0.901 1150 R CB 0.352 30.640 30.300 -0.019 0.000 1.039 1150 R HN -0.159 nan 8.270 nan 0.000 0.456 1151 V N 6.555 126.493 119.914 0.040 0.000 2.495 1151 V HA 0.257 4.376 4.120 -0.001 0.000 0.298 1151 V C -0.293 175.842 176.094 0.068 0.000 1.031 1151 V CA -0.876 61.464 62.300 0.066 0.000 0.871 1151 V CB 1.327 33.123 31.823 -0.045 0.000 0.988 1151 V HN 0.657 nan 8.190 nan 0.000 0.432 1152 F N 6.939 126.851 119.950 -0.064 0.000 2.495 1152 F HA 0.567 5.093 4.527 -0.001 0.000 0.365 1152 F C 0.023 175.696 175.800 -0.211 0.000 1.090 1152 F CA -0.137 57.607 58.000 -0.426 0.000 1.235 1152 F CB 0.893 39.710 39.000 -0.305 0.000 1.119 1152 F HN 0.390 nan 8.300 nan 0.000 0.562 1153 V N 5.355 124.631 119.914 -1.063 0.000 2.638 1153 V HA 0.537 4.657 4.120 -0.001 0.000 0.306 1153 V C -1.376 174.241 176.094 -0.795 0.000 1.052 1153 V CA -0.923 60.906 62.300 -0.784 0.000 0.885 1153 V CB 0.837 32.485 31.823 -0.292 0.000 0.999 1153 V HN 0.873 nan 8.190 nan 0.000 0.424 1154 Y N 2.948 122.781 120.300 -0.778 0.000 2.487 1154 Y HA 0.955 5.504 4.550 -0.001 0.000 0.337 1154 Y C 0.077 175.618 175.900 -0.598 0.000 1.076 1154 Y CA -0.985 56.769 58.100 -0.577 0.000 1.115 1154 Y CB 1.785 39.904 38.460 -0.568 0.000 1.235 1154 Y HN 1.007 nan 8.280 nan 0.000 0.468 1155 A N 2.341 124.671 122.820 -0.817 0.000 2.276 1155 A HA 0.759 5.078 4.320 -0.001 0.000 0.300 1155 A C -0.423 176.707 177.584 -0.757 0.000 1.235 1155 A CA -0.284 50.999 52.037 -1.257 0.000 0.867 1155 A CB -0.524 17.308 19.000 -1.946 0.000 1.137 1155 A HN 1.228 nan 8.150 nan 0.000 0.527 1156 A N 2.466 124.832 122.820 -0.756 0.000 2.276 1156 A HA 0.820 5.140 4.320 -0.001 0.000 0.316 1156 A C 0.650 178.073 177.584 -0.267 0.000 1.229 1156 A CA 0.322 52.133 52.037 -0.377 0.000 0.851 1156 A CB 0.539 19.290 19.000 -0.416 0.000 1.165 1156 A HN 2.013 nan 8.150 nan 0.000 0.513 1157 G N 0.493 109.119 108.800 -0.291 0.000 2.818 1157 G HA2 0.543 4.502 3.960 -0.001 0.000 0.109 1157 G HA3 0.543 4.502 3.960 -0.001 0.000 0.109 1157 G C 0.614 175.102 174.900 -0.686 0.000 1.206 1157 G CA 0.618 45.390 45.100 -0.548 0.000 1.243 1157 G HN 2.163 nan 8.290 nan 0.000 0.609 1158 G N -0.406 108.158 108.800 -0.393 0.000 2.295 1158 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.287 1158 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.287 1158 G C 0.157 174.829 174.900 -0.380 0.000 1.055 1158 G CA 0.837 45.752 45.100 -0.308 0.000 0.922 1158 G HN 0.877 nan 8.290 nan 0.000 0.503 1159 Y N -1.433 118.836 120.300 -0.051 0.000 2.260 1159 Y HA 0.605 5.154 4.550 -0.001 0.000 0.339 1159 Y C 1.250 177.088 175.900 -0.102 0.000 1.317 1159 Y CA -0.612 57.468 58.100 -0.034 0.000 1.514 1159 Y CB 0.367 38.858 38.460 0.052 0.000 1.382 1159 Y HN 0.251 nan 8.280 nan 0.000 0.581 1166 L N 1.814 123.036 121.223 -0.002 0.000 2.079 1166 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 1166 L C 3.297 180.150 176.870 -0.029 0.000 1.081 1166 L CA 2.404 57.234 54.840 -0.018 0.000 0.752 1166 L CB -0.553 41.498 42.059 -0.013 0.000 0.896 1166 L HN 0.583 nan 8.230 nan 0.000 0.433 1167 S N -0.236 115.451 115.700 -0.022 0.000 2.368 1167 S HA -0.291 4.178 4.470 -0.001 0.000 0.225 1167 S C 2.033 176.609 174.600 -0.039 0.000 1.030 1167 S CA 1.441 59.624 58.200 -0.028 0.000 0.999 1167 S CB -0.498 62.690 63.200 -0.020 0.000 0.844 1167 S HN 0.398 nan 8.310 nan 0.000 0.459 1168 M N 0.666 120.245 119.600 -0.034 0.000 2.175 1168 M HA 0.082 4.562 4.480 -0.001 0.000 0.264 1168 M C 2.209 178.469 176.300 -0.066 0.000 1.063 1168 M CA 1.251 56.526 55.300 -0.042 0.000 1.119 1168 M CB -0.229 32.356 32.600 -0.024 0.000 1.377 1168 M HN 0.436 nan 8.290 nan 0.000 0.415 1169 L N -0.187 120.997 121.223 -0.065 0.000 2.017 1169 L HA -0.257 4.083 4.340 -0.001 0.000 0.208 1169 L C 2.548 179.351 176.870 -0.111 0.000 1.073 1169 L CA 1.502 56.288 54.840 -0.092 0.000 0.745 1169 L CB -0.403 41.603 42.059 -0.088 0.000 0.894 1169 L HN 0.320 nan 8.230 nan 0.000 0.432 1170 R N -0.508 119.939 120.500 -0.088 0.000 2.096 1170 R HA -0.188 4.152 4.340 -0.001 0.000 0.240 1170 R C 2.136 178.370 176.300 -0.111 0.000 1.139 1170 R CA 1.507 57.555 56.100 -0.087 0.000 0.952 1170 R CB -0.872 29.391 30.300 -0.061 0.000 0.854 1170 R HN 0.525 nan 8.270 nan 0.000 0.436 1171 G N 0.701 109.438 108.800 -0.105 0.000 2.442 1171 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.219 1171 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.219 1171 G C 1.264 176.046 174.900 -0.197 0.000 1.141 1171 G CA 0.657 45.686 45.100 -0.119 0.000 0.763 1171 G HN 0.416 nan 8.290 nan 0.000 0.554 1172 E N -0.324 119.730 120.200 -0.243 0.000 2.031 1172 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 1172 E C 2.578 178.750 176.600 -0.713 0.000 0.994 1172 E CA 0.997 57.133 56.400 -0.440 0.000 0.800 1172 E CB -0.117 29.381 29.700 -0.337 0.000 0.752 1172 E HN 0.246 nan 8.360 nan 0.000 0.447 1173 M N 0.575 119.921 119.600 -0.424 0.000 2.117 1173 M HA -0.133 4.347 4.480 -0.001 0.000 0.262 1173 M C 2.351 178.536 176.300 -0.191 0.000 1.065 1173 M CA 1.270 56.402 55.300 -0.279 0.000 1.114 1173 M CB -1.249 31.284 32.600 -0.111 0.000 1.361 1173 M HN 0.027 nan 8.290 nan 0.000 0.408 1174 R N 0.906 121.310 120.500 -0.160 0.000 2.105 1174 R HA -0.068 4.271 4.340 -0.001 0.000 0.239 1174 R C 2.186 178.437 176.300 -0.082 0.000 1.135 1174 R CA 2.065 58.113 56.100 -0.088 0.000 0.967 1174 R CB -1.436 28.818 30.300 -0.075 0.000 0.861 1174 R HN 0.412 nan 8.270 nan 0.000 0.442 1175 G N -0.901 107.793 108.800 -0.178 0.000 2.422 1175 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 1175 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 1175 G C 0.952 175.870 174.900 0.029 0.000 1.146 1175 G CA 0.943 45.968 45.100 -0.124 0.000 0.769 1175 G HN 0.357 nan 8.290 nan 0.000 0.547 1176 Y N 0.098 120.413 120.300 0.025 0.000 2.200 1176 Y HA 0.087 4.636 4.550 -0.001 0.000 0.290 1176 Y C 2.686 178.690 175.900 0.174 0.000 1.137 1176 Y CA -0.065 58.090 58.100 0.092 0.000 1.163 1176 Y CB -0.946 37.468 38.460 -0.077 0.000 0.988 1176 Y HN 0.042 nan 8.280 nan 0.000 0.518 1177 L N 0.101 121.458 121.223 0.224 0.000 2.083 1177 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 1177 L C 1.523 178.455 176.870 0.102 0.000 1.083 1177 L CA 1.697 56.623 54.840 0.144 0.000 0.752 1177 L CB -0.784 41.317 42.059 0.071 0.000 0.899 1177 L HN 0.095 nan 8.230 nan 0.000 0.433 1178 D N -0.835 119.616 120.400 0.084 0.000 2.363 1178 D HA -0.033 4.607 4.640 -0.001 0.000 0.226 1178 D C 1.702 178.042 176.300 0.067 0.000 1.020 1178 D CA 0.372 54.404 54.000 0.054 0.000 0.892 1178 D CB 0.082 40.901 40.800 0.032 0.000 0.900 1178 D HN 0.214 nan 8.370 nan 0.000 0.531 1179 R N -0.845 119.726 120.500 0.119 0.000 2.397 1179 R HA 0.250 4.590 4.340 -0.001 0.000 0.241 1179 R C 1.177 177.446 176.300 -0.051 0.000 0.914 1179 R CA 0.387 56.547 56.100 0.100 0.000 1.071 1179 R CB 1.071 31.536 30.300 0.275 0.000 1.116 1179 R HN 0.163 nan 8.270 nan 0.000 0.524 1180 G N 0.508 109.285 108.800 -0.039 0.000 2.195 1180 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.224 1180 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.224 1180 G C -0.210 174.587 174.900 -0.173 0.000 0.990 1180 G CA -0.358 44.660 45.100 -0.136 0.000 0.639 1180 G HN 0.237 nan 8.290 nan 0.000 0.514 1181 Y N 1.488 121.776 120.300 -0.019 0.000 2.346 1181 Y HA 0.382 4.932 4.550 -0.001 0.000 0.330 1181 Y C 1.591 177.470 175.900 -0.034 0.000 1.178 1181 Y CA 0.563 58.629 58.100 -0.056 0.000 1.331 1181 Y CB 0.645 39.059 38.460 -0.076 0.000 1.253 1181 Y HN 0.373 nan 8.280 nan 0.000 0.529 1182 N N -0.488 118.281 118.700 0.116 0.000 2.170 1182 N HA 0.287 5.027 4.740 -0.001 0.000 0.222 1182 N C -1.383 174.106 175.510 -0.034 0.000 1.218 1182 N CA -0.007 53.072 53.050 0.050 0.000 0.889 1182 N CB 0.721 39.240 38.487 0.054 0.000 1.083 1182 N HN 0.246 nan 8.380 nan 0.000 0.520 1183 V N 1.645 121.526 119.914 -0.055 0.000 2.711 1183 V HA 0.405 4.524 4.120 -0.001 0.000 0.304 1183 V C -0.587 175.388 176.094 -0.200 0.000 1.097 1183 V CA -0.839 61.309 62.300 -0.254 0.000 0.906 1183 V CB 1.824 33.385 31.823 -0.437 0.000 1.015 1183 V HN 0.165 nan 8.190 nan 0.000 0.427 1184 V N 1.901 121.683 119.914 -0.220 0.000 2.914 1184 V HA 0.795 4.914 4.120 -0.001 0.000 0.314 1184 V C -0.765 175.203 176.094 -0.210 0.000 1.084 1184 V CA -0.957 61.241 62.300 -0.169 0.000 0.963 1184 V CB 2.050 33.852 31.823 -0.036 0.000 1.025 1184 V HN 0.852 nan 8.190 nan 0.000 0.432 1185 K N 3.878 124.183 120.400 -0.158 0.000 2.316 1185 K HA 0.837 5.157 4.320 -0.001 0.000 0.251 1185 K C -0.755 175.775 176.600 -0.117 0.000 0.934 1185 K CA -0.878 55.312 56.287 -0.160 0.000 0.802 1185 K CB 2.115 34.562 32.500 -0.087 0.000 1.171 1185 K HN 1.048 nan 8.250 nan 0.000 0.426 1186 M N 0.794 120.330 119.600 -0.106 0.000 2.690 1186 M HA 0.525 5.005 4.480 -0.001 0.000 0.302 1186 M C -1.212 175.034 176.300 -0.091 0.000 1.234 1186 M CA -0.988 54.228 55.300 -0.139 0.000 0.853 1186 M CB 2.061 34.576 32.600 -0.141 0.000 1.748 1186 M HN 0.234 nan 8.290 nan 0.000 0.469 1187 K N 1.864 122.179 120.400 -0.142 0.000 2.118 1187 K HA 0.765 5.085 4.320 -0.001 0.000 0.267 1187 K C -0.693 175.919 176.600 0.020 0.000 0.991 1187 K CA -0.572 55.702 56.287 -0.021 0.000 0.916 1187 K CB 1.646 34.178 32.500 0.054 0.000 1.041 1187 K HN 0.778 nan 8.250 nan 0.000 0.455 1188 I N -3.636 117.036 120.570 0.170 0.000 3.174 1188 I HA 0.626 4.796 4.170 -0.001 0.000 0.313 1188 I C 0.508 176.784 176.117 0.264 0.000 1.155 1188 I CA -0.801 60.669 61.300 0.283 0.000 0.977 1188 I CB 2.190 40.337 38.000 0.246 0.000 1.248 1188 I HN 0.714 nan 8.210 nan 0.000 0.453 1189 G N 1.522 110.525 108.800 0.339 0.000 2.175 1189 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.244 1189 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.244 1189 G C 0.759 175.773 174.900 0.189 0.000 0.982 1189 G CA 0.143 45.432 45.100 0.316 0.000 0.641 1189 G HN 1.434 nan 8.290 nan 0.000 0.527 1190 G N -0.438 108.405 108.800 0.072 0.000 3.371 1190 G HA2 0.768 4.727 3.960 -0.001 0.000 0.248 1190 G HA3 0.768 4.727 3.960 -0.001 0.000 0.248 1190 G C 0.349 174.956 174.900 -0.488 0.000 1.161 1190 G CA 1.597 46.404 45.100 -0.489 0.000 0.796 1190 G HN 1.812 nan 8.290 nan 0.000 0.539 1191 A N -0.568 122.223 122.820 -0.048 0.000 2.566 1191 A HA 0.753 5.073 4.320 -0.001 0.000 0.290 1191 A C -3.105 174.571 177.584 0.153 0.000 1.071 1191 A CA -1.055 51.007 52.037 0.041 0.000 0.658 1191 A CB 0.364 19.437 19.000 0.121 0.000 1.285 1191 A HN -0.015 nan 8.150 nan 0.000 0.427 1192 P HA 0.157 nan 4.420 nan 0.000 0.266 1192 P C 1.049 178.401 177.300 0.086 0.000 1.193 1192 P CA -0.096 63.056 63.100 0.086 0.000 0.770 1192 P CB 0.426 32.151 31.700 0.042 0.000 0.836 1193 I N 1.830 122.389 120.570 -0.019 0.000 2.248 1193 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 1193 I C 1.611 177.633 176.117 -0.159 0.000 1.107 1193 I CA 1.724 62.860 61.300 -0.273 0.000 1.373 1193 I CB 0.135 37.802 38.000 -0.556 0.000 1.055 1193 I HN 0.341 nan 8.210 nan 0.000 0.418 1194 E N 0.227 120.380 120.200 -0.078 0.000 2.208 1194 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 1194 E C 1.871 178.473 176.600 0.003 0.000 0.988 1194 E CA 0.829 57.206 56.400 -0.037 0.000 0.828 1194 E CB -0.126 29.559 29.700 -0.025 0.000 0.763 1194 E HN 0.622 nan 8.360 nan 0.000 0.478 1195 E N 0.613 120.832 120.200 0.032 0.000 2.152 1195 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 1195 E C 1.116 177.768 176.600 0.086 0.000 0.983 1195 E CA 0.751 57.188 56.400 0.062 0.000 0.818 1195 E CB 0.244 29.996 29.700 0.086 0.000 0.758 1195 E HN 0.048 nan 8.360 nan 0.000 0.467 1196 D N 0.199 120.669 120.400 0.117 0.000 2.183 1196 D HA -0.131 4.508 4.640 -0.001 0.000 0.203 1196 D C 1.905 178.230 176.300 0.042 0.000 0.969 1196 D CA 0.532 54.622 54.000 0.149 0.000 0.842 1196 D CB -0.171 40.814 40.800 0.308 0.000 0.957 1196 D HN 0.136 nan 8.370 nan 0.000 0.484 1197 R N 0.147 120.648 120.500 0.001 0.000 2.096 1197 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 1197 R C 1.967 178.226 176.300 -0.070 0.000 1.127 1197 R CA 0.942 57.013 56.100 -0.047 0.000 0.968 1197 R CB -0.006 30.300 30.300 0.010 0.000 0.861 1197 R HN 0.068 nan 8.270 nan 0.000 0.440 1198 M N 0.167 119.754 119.600 -0.021 0.000 2.132 1198 M HA -0.113 4.367 4.480 -0.001 0.000 0.263 1198 M C 2.140 178.417 176.300 -0.038 0.000 1.065 1198 M CA 1.594 56.883 55.300 -0.018 0.000 1.122 1198 M CB -0.748 31.857 32.600 0.007 0.000 1.365 1198 M HN 0.153 nan 8.290 nan 0.000 0.411 1199 R N -0.065 120.419 120.500 -0.028 0.000 2.092 1199 R HA -0.018 4.322 4.340 -0.001 0.000 0.231 1199 R C 2.208 178.454 176.300 -0.091 0.000 1.119 1199 R CA 1.090 57.163 56.100 -0.046 0.000 0.970 1199 R CB -0.340 29.943 30.300 -0.029 0.000 0.864 1199 R HN 0.329 nan 8.270 nan 0.000 0.440 1200 I N 0.887 121.380 120.570 -0.129 0.000 2.202 1200 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 1200 I C 2.020 177.989 176.117 -0.248 0.000 1.091 1200 I CA 1.413 62.585 61.300 -0.214 0.000 1.368 1200 I CB -0.255 37.541 38.000 -0.340 0.000 1.058 1200 I HN 0.205 nan 8.210 nan 0.000 0.410 1201 E N 1.002 121.051 120.200 -0.251 0.000 2.153 1201 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 1201 E C 2.309 178.862 176.600 -0.078 0.000 0.988 1201 E CA 1.187 57.493 56.400 -0.156 0.000 0.811 1201 E CB -0.158 29.502 29.700 -0.068 0.000 0.746 1201 E HN 0.518 nan 8.360 nan 0.000 0.466 1202 A N 1.093 123.869 122.820 -0.073 0.000 1.877 1202 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 1202 A C 2.524 180.074 177.584 -0.055 0.000 1.186 1202 A CA 1.182 53.189 52.037 -0.051 0.000 0.620 1202 A CB -0.645 18.327 19.000 -0.046 0.000 0.822 1202 A HN 0.112 nan 8.150 nan 0.000 0.443 1203 V N -0.334 119.536 119.914 -0.073 0.000 2.358 1203 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 1203 V C 2.470 178.531 176.094 -0.055 0.000 1.047 1203 V CA 1.643 63.901 62.300 -0.070 0.000 1.035 1203 V CB -0.739 31.034 31.823 -0.084 0.000 0.658 1203 V HN 0.459 nan 8.190 nan 0.000 0.452 1204 L N -0.053 121.134 121.223 -0.060 0.000 2.079 1204 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 1204 L C 2.423 179.288 176.870 -0.010 0.000 1.081 1204 L CA 1.832 56.654 54.840 -0.030 0.000 0.752 1204 L CB -0.902 41.141 42.059 -0.027 0.000 0.896 1204 L HN 0.423 nan 8.230 nan 0.000 0.433 1205 E N -0.908 119.284 120.200 -0.014 0.000 2.072 1205 E HA -0.247 4.102 4.350 -0.001 0.000 0.190 1205 E C 2.005 178.599 176.600 -0.010 0.000 0.982 1205 E CA 0.877 57.274 56.400 -0.004 0.000 0.803 1205 E CB 0.238 29.936 29.700 -0.004 0.000 0.755 1205 E HN 0.415 nan 8.360 nan 0.000 0.453 1206 E N 1.137 121.324 120.200 -0.021 0.000 2.051 1206 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 1206 E C 2.109 178.699 176.600 -0.018 0.000 0.991 1206 E CA 1.862 58.247 56.400 -0.024 0.000 0.799 1206 E CB -0.388 29.289 29.700 -0.039 0.000 0.748 1206 E HN 0.524 nan 8.360 nan 0.000 0.449 1207 I N -3.262 117.298 120.570 -0.017 0.000 2.876 1207 I HA 0.225 4.395 4.170 -0.001 0.000 0.264 1207 I C 1.674 177.791 176.117 0.001 0.000 1.204 1207 I CA 0.664 61.959 61.300 -0.008 0.000 1.485 1207 I CB -0.779 37.213 38.000 -0.012 0.000 1.103 1207 I HN 0.224 nan 8.210 nan 0.000 0.446 1208 G N 2.919 111.721 108.800 0.003 0.000 2.685 1208 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.329 1208 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.329 1208 G C 0.777 175.686 174.900 0.016 0.000 1.271 1208 G CA 0.957 46.064 45.100 0.011 0.000 1.003 1208 G HN 0.534 nan 8.290 nan 0.000 0.549 1209 K N 0.928 121.338 120.400 0.016 0.000 2.404 1209 K HA 0.158 4.477 4.320 -0.001 0.000 0.194 1209 K C 1.310 177.920 176.600 0.018 0.000 1.023 1209 K CA 0.515 56.814 56.287 0.019 0.000 1.094 1209 K CB 0.257 32.768 32.500 0.019 0.000 0.841 1209 K HN 0.366 nan 8.250 nan 0.000 0.523 1210 D N 0.895 121.303 120.400 0.014 0.000 2.277 1210 D HA 0.007 4.646 4.640 -0.001 0.000 0.208 1210 D C 0.422 176.730 176.300 0.014 0.000 0.962 1210 D CA 0.569 54.578 54.000 0.015 0.000 0.865 1210 D CB 0.402 41.211 40.800 0.015 0.000 0.939 1210 D HN 0.212 nan 8.370 nan 0.000 0.510 1211 A N -0.514 122.309 122.820 0.005 0.000 2.581 1211 A HA 0.581 4.901 4.320 -0.001 0.000 0.290 1211 A C -1.323 176.244 177.584 -0.030 0.000 1.119 1211 A CA -0.721 51.307 52.037 -0.015 0.000 0.670 1211 A CB 1.354 20.347 19.000 -0.012 0.000 1.280 1211 A HN -0.090 nan 8.150 nan 0.000 0.425 1212 Q N -0.594 119.154 119.800 -0.087 0.000 2.301 1212 Q HA 0.646 4.986 4.340 -0.001 0.000 0.267 1212 Q C -1.535 174.385 176.000 -0.133 0.000 1.035 1212 Q CA -0.846 54.912 55.803 -0.074 0.000 0.856 1212 Q CB 2.601 31.304 28.738 -0.059 0.000 1.337 1212 Q HN 0.616 nan 8.270 nan 0.000 0.450 1213 L N 1.194 122.381 121.223 -0.059 0.000 2.322 1213 L HA 0.792 5.132 4.340 -0.001 0.000 0.281 1213 L C -1.464 175.347 176.870 -0.098 0.000 1.014 1213 L CA -0.225 54.557 54.840 -0.096 0.000 0.815 1213 L CB 1.527 43.552 42.059 -0.056 0.000 1.247 1213 L HN 0.718 nan 8.230 nan 0.000 0.421 1214 A N 4.504 127.175 122.820 -0.247 0.000 2.356 1214 A HA 0.844 5.164 4.320 -0.001 0.000 0.323 1214 A C -1.010 176.491 177.584 -0.139 0.000 1.119 1214 A CA -0.214 51.614 52.037 -0.348 0.000 0.790 1214 A CB 1.645 19.983 19.000 -1.105 0.000 1.273 1214 A HN 1.133 nan 8.150 nan 0.000 0.452 1215 V N -0.882 119.060 119.914 0.048 0.000 2.769 1215 V HA 0.810 4.929 4.120 -0.001 0.000 0.312 1215 V C -1.269 174.975 176.094 0.250 0.000 1.061 1215 V CA -0.754 61.617 62.300 0.118 0.000 0.931 1215 V CB 1.977 33.870 31.823 0.118 0.000 1.010 1215 V HN 0.791 nan 8.190 nan 0.000 0.433 1216 D N 2.507 123.015 120.400 0.179 0.000 2.549 1216 D HA 0.709 5.349 4.640 -0.001 0.000 0.251 1216 D C 0.441 176.775 176.300 0.058 0.000 1.153 1216 D CA 0.069 54.172 54.000 0.173 0.000 0.861 1216 D CB 2.203 43.113 40.800 0.183 0.000 1.207 1216 D HN 0.868 nan 8.370 nan 0.000 0.543 1217 A N 3.684 126.469 122.820 -0.059 0.000 2.218 1217 A HA 0.072 4.391 4.320 -0.001 0.000 0.209 1217 A C 0.893 178.278 177.584 -0.331 0.000 1.168 1217 A CA 0.003 51.811 52.037 -0.382 0.000 0.804 1217 A CB -0.306 18.165 19.000 -0.882 0.000 0.834 1217 A HN 0.730 nan 8.150 nan 0.000 0.482 1218 N N -1.262 117.355 118.700 -0.138 0.000 2.708 1218 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 1218 N C 0.873 176.304 175.510 -0.131 0.000 1.097 1218 N CA 1.361 54.365 53.050 -0.078 0.000 0.710 1218 N CB -1.666 36.818 38.487 -0.006 0.000 1.032 1218 N HN 1.357 nan 8.380 nan 0.000 0.551 1219 G N -0.523 108.156 108.800 -0.201 0.000 2.168 1219 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.257 1219 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.257 1219 G C 1.070 175.869 174.900 -0.169 0.000 0.997 1219 G CA 0.926 45.923 45.100 -0.173 0.000 0.708 1219 G HN 0.595 nan 8.290 nan 0.000 0.520 1220 R N -1.184 119.144 120.500 -0.288 0.000 2.115 1220 R HA 0.135 4.475 4.340 -0.001 0.000 0.226 1220 R C 0.762 177.098 176.300 0.060 0.000 1.100 1220 R CA 0.840 56.844 56.100 -0.161 0.000 0.980 1220 R CB -0.072 30.098 30.300 -0.217 0.000 0.875 1220 R HN 0.372 nan 8.270 nan 0.000 0.445 1221 F N 2.093 122.019 119.950 -0.040 0.000 2.399 1221 F HA 0.125 4.652 4.527 -0.001 0.000 0.342 1221 F C 0.804 176.599 175.800 -0.009 0.000 1.106 1221 F CA -2.176 55.810 58.000 -0.023 0.000 1.196 1221 F CB -0.023 38.963 39.000 -0.023 0.000 1.163 1221 F HN 0.057 nan 8.300 nan 0.000 0.547 1222 N N 1.533 120.359 118.700 0.210 0.000 2.448 1222 N HA 0.226 4.965 4.740 -0.001 0.000 0.274 1222 N C 0.817 176.391 175.510 0.107 0.000 1.239 1222 N CA -0.692 52.426 53.050 0.113 0.000 0.982 1222 N CB 0.084 38.614 38.487 0.072 0.000 1.199 1222 N HN 0.453 nan 8.380 nan 0.000 0.576 1223 L N -0.167 121.101 121.223 0.075 0.000 1.990 1223 L HA -0.142 4.197 4.340 -0.001 0.000 0.213 1223 L C 1.885 178.780 176.870 0.041 0.000 1.072 1223 L CA 1.935 56.819 54.840 0.073 0.000 0.755 1223 L CB -0.987 41.114 42.059 0.069 0.000 0.889 1223 L HN 0.682 nan 8.230 nan 0.000 0.432 1224 E N -1.320 118.888 120.200 0.013 0.000 2.085 1224 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 1224 E C 1.929 178.497 176.600 -0.054 0.000 0.994 1224 E CA 1.850 58.230 56.400 -0.032 0.000 0.801 1224 E CB -0.227 29.457 29.700 -0.026 0.000 0.743 1224 E HN 0.574 nan 8.360 nan 0.000 0.453 1225 T N 0.030 114.554 114.554 -0.050 0.000 2.821 1225 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 1225 T C 1.856 176.444 174.700 -0.186 0.000 1.046 1225 T CA 1.072 63.079 62.100 -0.154 0.000 1.139 1225 T CB -0.378 68.349 68.868 -0.235 0.000 0.871 1225 T HN 0.342 nan 8.240 nan 0.000 0.454 1226 G N 1.248 110.055 108.800 0.012 0.000 2.408 1226 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.217 1226 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.217 1226 G C 1.504 176.525 174.900 0.202 0.000 1.150 1226 G CA 0.348 45.585 45.100 0.229 0.000 0.776 1226 G HN 0.482 nan 8.290 nan 0.000 0.542 1227 I N 1.169 121.761 120.570 0.038 0.000 2.353 1227 I HA -0.093 4.077 4.170 -0.001 0.000 0.248 1227 I C 3.255 179.302 176.117 -0.117 0.000 1.119 1227 I CA 0.776 61.999 61.300 -0.128 0.000 1.417 1227 I CB -0.158 37.572 38.000 -0.449 0.000 1.078 1227 I HN 0.237 nan 8.210 nan 0.000 0.421 1228 A N 0.310 123.074 122.820 -0.095 0.000 1.902 1228 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 1228 A C 2.166 179.695 177.584 -0.092 0.000 1.181 1228 A CA 1.573 53.542 52.037 -0.113 0.000 0.623 1228 A CB -1.017 17.904 19.000 -0.132 0.000 0.818 1228 A HN 0.395 nan 8.150 nan 0.000 0.443 1229 Y N -0.224 119.999 120.300 -0.129 0.000 2.242 1229 Y HA -0.060 4.490 4.550 -0.001 0.000 0.291 1229 Y C 2.892 178.761 175.900 -0.052 0.000 1.137 1229 Y CA 0.945 58.991 58.100 -0.090 0.000 1.181 1229 Y CB -0.268 38.154 38.460 -0.064 0.000 0.989 1229 Y HN 0.350 nan 8.280 nan 0.000 0.527 1230 A N 0.350 123.291 122.820 0.203 0.000 1.908 1230 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 1230 A C 2.130 179.890 177.584 0.292 0.000 1.181 1230 A CA 2.034 54.240 52.037 0.281 0.000 0.627 1230 A CB -0.509 18.760 19.000 0.449 0.000 0.818 1230 A HN 0.415 nan 8.150 nan 0.000 0.445 1231 K N -1.291 119.199 120.400 0.150 0.000 2.148 1231 K HA -0.069 4.250 4.320 -0.001 0.000 0.204 1231 K C 2.137 178.779 176.600 0.069 0.000 1.050 1231 K CA 1.304 57.653 56.287 0.102 0.000 0.942 1231 K CB -0.209 32.301 32.500 0.018 0.000 0.724 1231 K HN 0.539 nan 8.250 nan 0.000 0.446 1232 M N 0.661 120.284 119.600 0.039 0.000 2.160 1232 M HA -0.076 4.403 4.480 -0.001 0.000 0.264 1232 M C 1.691 178.108 176.300 0.195 0.000 1.073 1232 M CA 1.475 56.807 55.300 0.054 0.000 1.142 1232 M CB -0.171 32.394 32.600 -0.058 0.000 1.358 1232 M HN 0.031 nan 8.290 nan 0.000 0.422 1233 L N 1.263 122.611 121.223 0.208 0.000 2.093 1233 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 1233 L C 2.624 179.725 176.870 0.386 0.000 1.085 1233 L CA 1.747 56.784 54.840 0.328 0.000 0.755 1233 L CB -1.202 40.927 42.059 0.116 0.000 0.904 1233 L HN 0.437 nan 8.230 nan 0.000 0.435 1234 R N -0.946 119.743 120.500 0.316 0.000 2.241 1234 R HA -0.124 4.215 4.340 -0.001 0.000 0.224 1234 R C 0.824 177.106 176.300 -0.029 0.000 1.101 1234 R CA 1.337 57.493 56.100 0.092 0.000 0.995 1234 R CB -0.648 29.686 30.300 0.056 0.000 0.870 1234 R HN 0.283 nan 8.270 nan 0.000 0.463 1235 D N -0.117 120.210 120.400 -0.122 0.000 2.363 1235 D HA 0.007 4.646 4.640 -0.001 0.000 0.226 1235 D C -0.426 175.543 176.300 -0.550 0.000 1.020 1235 D CA 0.758 54.533 54.000 -0.375 0.000 0.892 1235 D CB 0.064 40.533 40.800 -0.552 0.000 0.900 1235 D HN 0.234 nan 8.370 nan 0.000 0.531 1236 Y N -0.085 120.239 120.300 0.039 0.000 2.468 1236 Y HA 0.326 4.876 4.550 -0.001 0.000 0.342 1236 Y C -1.821 174.108 175.900 0.048 0.000 1.021 1236 Y CA -2.684 55.441 58.100 0.042 0.000 1.079 1236 Y CB 1.279 39.770 38.460 0.051 0.000 1.226 1236 Y HN -0.236 nan 8.280 nan 0.000 0.460 1237 P HA 0.107 nan 4.420 nan 0.000 0.220 1237 P C -0.836 176.564 177.300 0.167 0.000 1.806 1237 P CA 0.036 63.219 63.100 0.139 0.000 0.976 1237 P CB -0.198 31.567 31.700 0.108 0.000 1.952 1238 L N 0.888 122.232 121.223 0.201 0.000 2.436 1238 L HA 0.186 4.525 4.340 -0.001 0.000 0.265 1238 L C 1.761 178.780 176.870 0.249 0.000 1.168 1238 L CA -0.113 54.857 54.840 0.216 0.000 0.815 1238 L CB -0.603 41.617 42.059 0.268 0.000 1.109 1238 L HN 0.060 nan 8.230 nan 0.000 0.462 1239 F N 1.755 121.722 119.950 0.027 0.000 2.163 1239 F HA 0.017 4.544 4.527 -0.001 0.000 0.297 1239 F C 0.154 176.121 175.800 0.279 0.000 1.094 1239 F CA 0.774 58.786 58.000 0.020 0.000 1.290 1239 F CB 0.260 39.092 39.000 -0.280 0.000 1.017 1239 F HN 0.558 nan 8.300 nan 0.000 0.483 1240 W N -1.988 119.461 121.300 0.248 0.000 3.057 1240 W HA 0.357 5.016 4.660 -0.001 0.000 0.328 1240 W C -2.444 174.264 176.519 0.315 0.000 1.232 1240 W CA -2.166 55.337 57.345 0.264 0.000 1.187 1240 W CB -0.399 29.187 29.460 0.209 0.000 1.417 1240 W HN -0.147 nan 8.180 nan 0.000 0.569 1241 Y N 3.055 123.693 120.300 0.563 0.000 2.345 1241 Y HA 0.555 5.104 4.550 -0.001 0.000 0.331 1241 Y C -0.557 175.466 175.900 0.205 0.000 0.959 1241 Y CA -2.076 56.180 58.100 0.261 0.000 1.204 1241 Y CB 1.021 39.378 38.460 -0.171 0.000 1.135 1241 Y HN 0.668 nan 8.280 nan 0.000 0.477 1242 E N 4.323 124.768 120.200 0.407 0.000 2.204 1242 E HA 0.216 4.565 4.350 -0.001 0.000 0.276 1242 E C -0.614 175.946 176.600 -0.067 0.000 0.974 1242 E CA -0.581 55.871 56.400 0.086 0.000 0.815 1242 E CB 0.845 30.682 29.700 0.228 0.000 1.119 1242 E HN 0.754 nan 8.360 nan 0.000 0.393 1243 E N 2.654 122.761 120.200 -0.155 0.000 2.173 1243 E HA -0.232 4.118 4.350 -0.001 0.000 0.160 1243 E C 0.371 176.826 176.600 -0.243 0.000 1.581 1243 E CA 0.103 56.398 56.400 -0.174 0.000 0.618 1243 E CB -0.581 29.049 29.700 -0.117 0.000 1.049 1243 E HN 0.491 nan 8.360 nan 0.000 0.311 1244 V N 1.299 121.020 119.914 -0.320 0.000 2.255 1244 V HA -0.146 3.974 4.120 -0.001 0.000 0.247 1244 V C 1.496 177.479 176.094 -0.184 0.000 1.051 1244 V CA 2.205 64.319 62.300 -0.310 0.000 1.018 1244 V CB -0.439 31.182 31.823 -0.337 0.000 0.641 1244 V HN 0.604 nan 8.190 nan 0.000 0.445 1245 G N -1.604 107.128 108.800 -0.113 0.000 3.211 1245 G HA2 0.329 4.288 3.960 -0.001 0.000 0.262 1245 G HA3 0.329 4.288 3.960 -0.001 0.000 0.262 1245 G C -1.301 173.550 174.900 -0.082 0.000 1.352 1245 G CA -0.312 44.752 45.100 -0.059 0.000 1.004 1245 G HN 0.158 nan 8.290 nan 0.000 0.559 1246 D N 0.803 121.166 120.400 -0.062 0.000 2.583 1246 D HA -0.014 4.626 4.640 -0.001 0.000 0.232 1246 D C -0.729 175.503 176.300 -0.113 0.000 1.128 1246 D CA -0.834 53.119 54.000 -0.078 0.000 0.859 1246 D CB 1.644 42.401 40.800 -0.072 0.000 1.169 1246 D HN 0.012 nan 8.370 nan 0.000 0.481 1247 P HA -0.139 nan 4.420 nan 0.000 0.218 1247 P C 1.359 178.537 177.300 -0.203 0.000 1.146 1247 P CA 0.950 63.980 63.100 -0.116 0.000 0.813 1247 P CB 0.243 31.886 31.700 -0.096 0.000 0.778 1248 L N -0.994 120.052 121.223 -0.295 0.000 2.607 1248 L HA 0.210 4.549 4.340 -0.001 0.000 0.228 1248 L C 1.030 177.426 176.870 -0.791 0.000 1.123 1248 L CA -0.005 54.470 54.840 -0.609 0.000 0.890 1248 L CB -0.317 41.550 42.059 -0.320 0.000 1.103 1248 L HN -0.174 nan 8.230 nan 0.000 0.468 1249 D N -0.411 119.731 120.400 -0.430 0.000 2.517 1249 D HA -0.002 4.637 4.640 -0.001 0.000 0.220 1249 D C 0.833 177.031 176.300 -0.169 0.000 1.158 1249 D CA -0.149 53.693 54.000 -0.263 0.000 0.992 1249 D CB 0.383 41.116 40.800 -0.113 0.000 1.058 1249 D HN 0.088 nan 8.370 nan 0.000 0.516 1250 Y N 1.449 121.768 120.300 0.031 0.000 2.293 1250 Y HA -0.080 4.470 4.550 -0.001 0.000 0.291 1250 Y C 2.432 178.369 175.900 0.061 0.000 1.137 1250 Y CA 0.859 58.993 58.100 0.057 0.000 1.202 1250 Y CB -0.771 37.761 38.460 0.120 0.000 0.990 1250 Y HN 0.434 nan 8.280 nan 0.000 0.537 1251 A N 0.132 123.056 122.820 0.174 0.000 1.933 1251 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 1251 A C 2.329 179.976 177.584 0.105 0.000 1.175 1251 A CA 1.466 53.577 52.037 0.123 0.000 0.628 1251 A CB -1.066 17.979 19.000 0.074 0.000 0.814 1251 A HN 0.523 nan 8.150 nan 0.000 0.444 1252 L N -0.911 120.360 121.223 0.079 0.000 2.017 1252 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 1252 L C 2.726 179.649 176.870 0.089 0.000 1.073 1252 L CA 2.367 57.254 54.840 0.077 0.000 0.745 1252 L CB -0.307 41.779 42.059 0.045 0.000 0.894 1252 L HN 0.504 nan 8.230 nan 0.000 0.432 1253 Q N 0.182 120.032 119.800 0.083 0.000 2.084 1253 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 1253 Q C 2.016 178.077 176.000 0.102 0.000 0.978 1253 Q CA 2.211 58.060 55.803 0.076 0.000 0.844 1253 Q CB -0.360 28.432 28.738 0.090 0.000 0.898 1253 Q HN 0.599 nan 8.270 nan 0.000 0.426 1254 A N 0.014 122.908 122.820 0.124 0.000 1.969 1254 A HA 0.048 4.368 4.320 -0.001 0.000 0.218 1254 A C 2.213 179.860 177.584 0.105 0.000 1.169 1254 A CA 1.575 53.681 52.037 0.115 0.000 0.635 1254 A CB -0.927 18.148 19.000 0.126 0.000 0.810 1254 A HN 0.504 nan 8.150 nan 0.000 0.445 1255 A N -1.001 121.892 122.820 0.122 0.000 2.119 1255 A HA 0.166 4.486 4.320 -0.001 0.000 0.217 1255 A C 1.800 179.506 177.584 0.203 0.000 1.153 1255 A CA 1.101 53.225 52.037 0.144 0.000 0.692 1255 A CB -0.337 18.766 19.000 0.171 0.000 0.799 1255 A HN 0.359 nan 8.150 nan 0.000 0.458 1256 L N -0.598 120.748 121.223 0.206 0.000 2.217 1256 L HA -0.017 4.323 4.340 -0.001 0.000 0.211 1256 L C 2.851 179.875 176.870 0.258 0.000 1.107 1256 L CA 1.410 56.421 54.840 0.285 0.000 0.783 1256 L CB -1.083 41.087 42.059 0.184 0.000 0.919 1256 L HN 0.394 nan 8.230 nan 0.000 0.442 1257 A N -0.652 122.258 122.820 0.149 0.000 1.986 1257 A HA -0.296 4.024 4.320 -0.001 0.000 0.220 1257 A C 2.355 179.951 177.584 0.019 0.000 1.171 1257 A CA 1.967 54.066 52.037 0.104 0.000 0.640 1257 A CB -0.570 18.464 19.000 0.056 0.000 0.811 1257 A HN 0.539 nan 8.150 nan 0.000 0.451 1258 E N -1.412 118.710 120.200 -0.131 0.000 2.153 1258 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 1258 E C 0.852 177.176 176.600 -0.459 0.000 0.988 1258 E CA 1.192 57.346 56.400 -0.410 0.000 0.811 1258 E CB -0.114 29.122 29.700 -0.774 0.000 0.746 1258 E HN 0.675 nan 8.360 nan 0.000 0.466 1259 F N -1.356 118.687 119.950 0.156 0.000 2.678 1259 F HA 0.228 4.755 4.527 -0.001 0.000 0.305 1259 F C -0.236 175.740 175.800 0.294 0.000 1.090 1259 F CA -0.200 57.913 58.000 0.188 0.000 1.272 1259 F CB 0.544 39.660 39.000 0.192 0.000 1.060 1259 F HN -0.071 nan 8.300 nan 0.000 0.576 1260 Y N 1.029 121.472 120.300 0.238 0.000 2.359 1260 Y HA 0.376 4.925 4.550 -0.001 0.000 0.336 1260 Y C -2.386 173.601 175.900 0.146 0.000 1.098 1260 Y CA -2.669 55.568 58.100 0.228 0.000 1.272 1260 Y CB 1.300 39.967 38.460 0.345 0.000 1.112 1260 Y HN -0.148 nan 8.280 nan 0.000 0.481 1261 P HA 0.064 nan 4.420 nan 0.000 0.222 1261 P C 0.785 178.009 177.300 -0.126 0.000 1.153 1261 P CA 0.862 63.909 63.100 -0.088 0.000 0.798 1261 P CB 0.400 32.039 31.700 -0.101 0.000 0.796 1262 G N 1.203 109.783 108.800 -0.367 0.000 2.594 1262 G HA2 0.240 4.199 3.960 -0.001 0.000 0.243 1262 G HA3 0.240 4.199 3.960 -0.001 0.000 0.243 1262 G C -2.538 172.452 174.900 0.151 0.000 1.229 1262 G CA -0.864 44.105 45.100 -0.218 0.000 0.843 1262 G HN 0.021 nan 8.290 nan 0.000 0.578 1263 P HA 0.073 nan 4.420 nan 0.000 0.265 1263 P C -0.144 177.426 177.300 0.451 0.000 1.187 1263 P CA 0.698 63.951 63.100 0.255 0.000 0.766 1263 P CB 0.481 32.327 31.700 0.244 0.000 0.820 1264 M N 1.800 121.573 119.600 0.289 0.000 2.644 1264 M HA 0.738 5.218 4.480 -0.001 0.000 0.304 1264 M C -0.707 175.605 176.300 0.021 0.000 1.215 1264 M CA -0.697 54.722 55.300 0.199 0.000 0.871 1264 M CB 2.704 35.371 32.600 0.110 0.000 1.740 1264 M HN 0.285 nan 8.290 nan 0.000 0.464 1265 A N 0.794 123.514 122.820 -0.166 0.000 2.539 1265 A HA 0.945 5.265 4.320 -0.001 0.000 0.296 1265 A C -0.870 176.542 177.584 -0.287 0.000 1.073 1265 A CA -0.544 51.284 52.037 -0.348 0.000 0.700 1265 A CB 2.292 20.708 19.000 -0.973 0.000 1.296 1265 A HN 0.752 nan 8.150 nan 0.000 0.405 1266 T N -1.305 113.078 114.554 -0.285 0.000 2.663 1266 T HA 0.579 4.928 4.350 -0.001 0.000 0.305 1266 T C 0.446 174.954 174.700 -0.321 0.000 1.660 1266 T CA 0.890 62.847 62.100 -0.238 0.000 0.976 1266 T CB 0.644 69.413 68.868 -0.164 0.000 1.705 1266 T HN 2.610 nan 8.240 nan 0.000 0.494 1267 G N 1.110 109.759 108.800 -0.251 0.000 2.255 1267 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.196 1267 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.196 1267 G C 0.788 175.575 174.900 -0.188 0.000 0.998 1267 G CA 1.253 46.180 45.100 -0.288 0.000 0.656 1267 G HN 1.071 nan 8.290 nan 0.000 0.490 1268 E N 0.438 120.522 120.200 -0.193 0.000 2.209 1268 E HA -0.092 4.258 4.350 -0.001 0.000 0.196 1268 E C 1.168 177.549 176.600 -0.364 0.000 0.993 1268 E CA 1.218 57.492 56.400 -0.209 0.000 0.819 1268 E CB -0.214 29.349 29.700 -0.228 0.000 0.745 1268 E HN 0.407 nan 8.360 nan 0.000 0.477 1269 N N 0.625 119.100 118.700 -0.375 0.000 2.320 1269 N HA 0.217 4.957 4.740 -0.001 0.000 0.237 1269 N C -0.827 174.173 175.510 -0.850 0.000 1.129 1269 N CA 0.119 52.834 53.050 -0.560 0.000 0.854 1269 N CB 0.717 39.108 38.487 -0.158 0.000 1.083 1269 N HN 0.198 nan 8.380 nan 0.000 0.504 1270 L N 0.463 121.214 121.223 -0.787 0.000 2.325 1270 L HA 0.432 4.772 4.340 -0.001 0.000 0.281 1270 L C -0.278 176.231 176.870 -0.602 0.000 1.004 1270 L CA -0.583 53.987 54.840 -0.451 0.000 0.823 1270 L CB 0.932 42.989 42.059 -0.004 0.000 1.236 1270 L HN -0.057 nan 8.230 nan 0.000 0.415 1271 F N 0.725 120.733 119.950 0.097 0.000 2.708 1271 F HA 0.228 4.754 4.527 -0.001 0.000 0.300 1271 F C 0.813 176.672 175.800 0.100 0.000 1.118 1271 F CA -0.424 57.629 58.000 0.088 0.000 1.307 1271 F CB 0.512 39.546 39.000 0.058 0.000 0.986 1271 F HN 0.414 nan 8.300 nan 0.000 0.522 1272 S N -2.461 113.260 115.700 0.036 0.000 2.596 1272 S HA 0.268 4.737 4.470 -0.001 0.000 0.270 1272 S C 0.316 174.753 174.600 -0.271 0.000 1.155 1272 S CA -0.613 57.506 58.200 -0.134 0.000 0.827 1272 S CB 0.913 63.723 63.200 -0.650 0.000 1.130 1272 S HN 0.356 nan 8.310 nan 0.000 0.467 1273 H N 0.293 119.195 119.070 -0.280 0.000 2.457 1273 H HA 0.127 4.682 4.556 -0.001 0.000 0.294 1273 H C 1.552 176.715 175.328 -0.275 0.000 1.064 1273 H CA 1.609 57.459 56.048 -0.330 0.000 1.330 1273 H CB -0.305 29.292 29.762 -0.274 0.000 1.395 1273 H HN 0.556 nan 8.280 nan 0.000 0.541 1274 Q N 0.753 120.109 119.800 -0.740 0.000 2.079 1274 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 1274 Q C 1.719 177.589 176.000 -0.217 0.000 0.974 1274 Q CA 1.645 57.179 55.803 -0.448 0.000 0.840 1274 Q CB 0.086 28.619 28.738 -0.341 0.000 0.898 1274 Q HN 0.593 nan 8.270 nan 0.000 0.430 1275 D N -0.123 120.173 120.400 -0.174 0.000 2.144 1275 D HA -0.086 4.553 4.640 -0.001 0.000 0.200 1275 D C 1.696 177.915 176.300 -0.134 0.000 0.978 1275 D CA 1.236 55.215 54.000 -0.036 0.000 0.833 1275 D CB -0.031 40.788 40.800 0.032 0.000 0.961 1275 D HN 0.275 nan 8.370 nan 0.000 0.470 1276 A N 1.297 123.916 122.820 -0.334 0.000 1.902 1276 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 1276 A C 2.193 179.537 177.584 -0.400 0.000 1.181 1276 A CA 1.392 53.136 52.037 -0.488 0.000 0.623 1276 A CB -0.499 17.887 19.000 -1.023 0.000 0.818 1276 A HN 0.102 nan 8.150 nan 0.000 0.443 1277 R N -0.274 120.010 120.500 -0.360 0.000 2.081 1277 R HA -0.157 4.182 4.340 -0.001 0.000 0.235 1277 R C 1.733 177.751 176.300 -0.470 0.000 1.131 1277 R CA 1.727 57.597 56.100 -0.383 0.000 0.960 1277 R CB -0.288 29.890 30.300 -0.202 0.000 0.856 1277 R HN 0.504 nan 8.270 nan 0.000 0.436 1278 N N 0.857 119.340 118.700 -0.362 0.000 2.166 1278 N HA -0.175 4.564 4.740 -0.001 0.000 0.186 1278 N C 1.663 176.636 175.510 -0.896 0.000 1.019 1278 N CA 0.942 53.727 53.050 -0.442 0.000 0.856 1278 N CB -0.301 38.127 38.487 -0.098 0.000 0.993 1278 N HN 0.191 nan 8.380 nan 0.000 0.426 1279 L N 1.205 121.940 121.223 -0.813 0.000 2.046 1279 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 1279 L C 1.916 178.473 176.870 -0.521 0.000 1.077 1279 L CA 1.383 55.804 54.840 -0.699 0.000 0.747 1279 L CB -0.543 41.403 42.059 -0.189 0.000 0.896 1279 L HN 0.109 nan 8.230 nan 0.000 0.432 1280 L N -1.183 119.689 121.223 -0.585 0.000 2.156 1280 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 1280 L C 2.699 179.268 176.870 -0.500 0.000 1.095 1280 L CA 0.948 55.431 54.840 -0.594 0.000 0.770 1280 L CB -0.498 41.024 42.059 -0.895 0.000 0.914 1280 L HN 0.247 nan 8.230 nan 0.000 0.439 1281 R N -0.840 119.241 120.500 -0.697 0.000 2.075 1281 R HA -0.093 4.246 4.340 -0.001 0.000 0.226 1281 R C 1.420 177.322 176.300 -0.664 0.000 1.114 1281 R CA 1.348 57.009 56.100 -0.732 0.000 0.972 1281 R CB 0.039 29.580 30.300 -1.264 0.000 0.869 1281 R HN 0.299 nan 8.270 nan 0.000 0.437 1282 Y N -2.403 117.769 120.300 -0.213 0.000 2.500 1282 Y HA 0.343 4.893 4.550 -0.001 0.000 0.246 1282 Y C 1.823 177.704 175.900 -0.030 0.000 1.146 1282 Y CA -0.258 57.781 58.100 -0.103 0.000 1.230 1282 Y CB 0.175 38.592 38.460 -0.072 0.000 1.214 1282 Y HN 0.025 nan 8.280 nan 0.000 0.526 1283 G N -0.046 108.759 108.800 0.009 0.000 2.650 1283 G HA2 0.206 4.165 3.960 -0.001 0.000 0.214 1283 G HA3 0.206 4.165 3.960 -0.001 0.000 0.214 1283 G C 1.582 176.547 174.900 0.109 0.000 1.136 1283 G CA 0.332 45.493 45.100 0.103 0.000 0.789 1283 G HN 0.523 nan 8.290 nan 0.000 0.536 1284 G N 0.160 109.018 108.800 0.096 0.000 2.321 1284 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.287 1284 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.287 1284 G C 0.449 175.418 174.900 0.114 0.000 1.018 1284 G CA 0.656 45.817 45.100 0.101 0.000 0.855 1284 G HN 0.453 nan 8.290 nan 0.000 0.507 1285 M N -1.265 118.436 119.600 0.167 0.000 2.227 1285 M HA 0.499 4.978 4.480 -0.001 0.000 0.316 1285 M C 0.771 177.184 176.300 0.187 0.000 1.144 1285 M CA -0.280 55.151 55.300 0.219 0.000 1.121 1285 M CB 0.764 33.554 32.600 0.316 0.000 1.440 1285 M HN 0.058 nan 8.290 nan 0.000 0.473 1286 R N 1.517 122.046 120.500 0.047 0.000 2.215 1286 R HA 0.275 4.614 4.340 -0.001 0.000 0.336 1286 R C -2.073 173.901 176.300 -0.544 0.000 0.996 1286 R CA -1.665 54.326 56.100 -0.181 0.000 0.847 1286 R CB 0.001 30.220 30.300 -0.135 0.000 1.127 1286 R HN 0.279 nan 8.270 nan 0.000 0.465 1287 P HA -0.175 nan 4.420 nan 0.000 0.221 1287 P C 0.314 177.083 177.300 -0.886 0.000 1.145 1287 P CA 1.113 63.190 63.100 -1.705 0.000 0.795 1287 P CB 0.291 31.038 31.700 -1.587 0.000 0.775 1288 D N -0.775 119.285 120.400 -0.566 0.000 2.347 1288 D HA -0.094 4.545 4.640 -0.001 0.000 0.213 1288 D C 1.472 177.540 176.300 -0.387 0.000 0.985 1288 D CA 0.693 54.456 54.000 -0.395 0.000 0.879 1288 D CB -0.266 40.367 40.800 -0.278 0.000 0.919 1288 D HN 0.262 nan 8.370 nan 0.000 0.526 1289 R N -0.824 119.418 120.500 -0.430 0.000 2.532 1289 R HA 0.161 4.501 4.340 -0.001 0.000 0.312 1289 R C -0.758 175.197 176.300 -0.575 0.000 0.923 1289 R CA -0.403 55.428 56.100 -0.448 0.000 1.115 1289 R CB -0.071 30.078 30.300 -0.252 0.000 1.703 1289 R HN -0.141 nan 8.270 nan 0.000 0.498 1290 D N 1.081 121.210 120.400 -0.452 0.000 2.387 1290 D HA 0.307 4.947 4.640 -0.001 0.000 0.251 1290 D C -0.789 175.225 176.300 -0.476 0.000 1.141 1290 D CA 0.310 54.128 54.000 -0.304 0.000 0.987 1290 D CB 0.618 41.434 40.800 0.026 0.000 1.116 1290 D HN 0.041 nan 8.370 nan 0.000 0.491 1291 W N 0.041 121.280 121.300 -0.103 0.000 2.819 1291 W HA 0.511 5.171 4.660 -0.001 0.000 0.337 1291 W C -0.654 175.676 176.519 -0.314 0.000 1.077 1291 W CA -0.741 56.482 57.345 -0.204 0.000 1.226 1291 W CB 0.974 30.160 29.460 -0.457 0.000 1.419 1291 W HN -0.081 nan 8.180 nan 0.000 0.502 1292 L N 2.818 123.997 121.223 -0.074 0.000 2.280 1292 L HA 0.360 4.700 4.340 -0.001 0.000 0.287 1292 L C 0.473 177.076 176.870 -0.444 0.000 1.023 1292 L CA -0.622 53.931 54.840 -0.478 0.000 0.819 1292 L CB 1.338 43.040 42.059 -0.595 0.000 1.212 1292 L HN 0.554 nan 8.230 nan 0.000 0.420 1293 Q N 2.645 122.122 119.800 -0.539 0.000 2.211 1293 Q HA 0.242 4.581 4.340 -0.001 0.000 0.231 1293 Q C -0.712 175.216 176.000 -0.119 0.000 0.865 1293 Q CA -0.446 55.216 55.803 -0.235 0.000 0.997 1293 Q CB 0.195 28.852 28.738 -0.135 0.000 1.101 1293 Q HN 0.425 nan 8.270 nan 0.000 0.468 1294 F N 1.741 121.736 119.950 0.075 0.000 2.635 1294 F HA -0.090 4.436 4.527 -0.001 0.000 0.379 1294 F C 1.002 176.932 175.800 0.216 0.000 1.094 1294 F CA -0.239 57.819 58.000 0.097 0.000 1.300 1294 F CB 0.153 39.223 39.000 0.116 0.000 1.035 1294 F HN 0.010 nan 8.300 nan 0.000 0.581 1295 D N 3.021 123.640 120.400 0.366 0.000 2.396 1295 D HA 0.070 4.710 4.640 -0.001 0.000 0.225 1295 D C 0.897 177.383 176.300 0.310 0.000 1.121 1295 D CA -0.279 53.923 54.000 0.336 0.000 0.853 1295 D CB 1.169 42.207 40.800 0.396 0.000 1.043 1295 D HN 0.733 nan 8.370 nan 0.000 0.500 1296 C N 4.171 123.565 119.300 0.157 0.000 2.398 1296 C HA -0.163 4.296 4.460 -0.001 0.000 0.276 1296 C C 2.616 177.687 174.990 0.135 0.000 1.222 1296 C CA 1.648 60.708 59.018 0.070 0.000 1.746 1296 C CB -1.107 26.436 27.740 -0.328 0.000 2.039 1296 C HN 0.773 nan 8.230 nan 0.000 0.470 1297 A N 0.025 122.918 122.820 0.122 0.000 1.933 1297 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 1297 A C 2.118 179.752 177.584 0.083 0.000 1.175 1297 A CA 1.854 53.933 52.037 0.070 0.000 0.628 1297 A CB -0.627 18.378 19.000 0.008 0.000 0.814 1297 A HN 0.716 nan 8.150 nan 0.000 0.444 1298 L N -0.506 120.814 121.223 0.162 0.000 2.509 1298 L HA 0.066 4.406 4.340 -0.001 0.000 0.222 1298 L C 0.543 177.495 176.870 0.137 0.000 1.123 1298 L CA 0.305 55.211 54.840 0.111 0.000 0.856 1298 L CB 0.150 42.343 42.059 0.223 0.000 0.985 1298 L HN 0.162 nan 8.230 nan 0.000 0.456 1299 S N -0.709 115.149 115.700 0.264 0.000 2.460 1299 S HA 0.250 4.719 4.470 -0.001 0.000 0.211 1299 S C -0.348 174.484 174.600 0.388 0.000 1.312 1299 S CA -0.508 57.884 58.200 0.320 0.000 1.256 1299 S CB -0.190 63.246 63.200 0.394 0.000 1.086 1299 S HN 0.342 nan 8.310 nan 0.000 0.507 1300 Y N 0.123 120.562 120.300 0.230 0.000 4.798 1300 Y HA -0.283 4.266 4.550 -0.001 0.000 0.237 1300 Y C 1.174 177.325 175.900 0.418 0.000 1.017 1300 Y CA 1.010 59.312 58.100 0.337 0.000 2.010 1300 Y CB -1.994 36.781 38.460 0.525 0.000 1.582 1300 Y HN 0.836 nan 8.280 nan 0.000 0.621 1301 G N -0.452 108.571 108.800 0.372 0.000 2.725 1301 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.220 1301 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.220 1301 G C 0.270 175.305 174.900 0.225 0.000 1.357 1301 G CA -0.262 45.012 45.100 0.290 0.000 0.866 1301 G HN 0.751 nan 8.290 nan 0.000 0.548 1302 L N 0.068 121.354 121.223 0.105 0.000 2.131 1302 L HA 0.019 4.358 4.340 -0.001 0.000 0.210 1302 L C 3.037 179.930 176.870 0.038 0.000 1.092 1302 L CA 3.072 57.864 54.840 -0.080 0.000 0.759 1302 L CB -0.948 40.715 42.059 -0.661 0.000 0.903 1302 L HN 0.774 nan 8.230 nan 0.000 0.435 1303 C N -0.389 119.032 119.300 0.200 0.000 2.425 1303 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 1303 C C 2.705 177.514 174.990 -0.301 0.000 1.280 1303 C CA 1.061 60.071 59.018 -0.014 0.000 1.744 1303 C CB -0.823 26.750 27.740 -0.278 0.000 1.989 1303 C HN 0.668 nan 8.230 nan 0.000 0.491 1304 E N -0.403 119.651 120.200 -0.243 0.000 2.112 1304 E HA -0.137 4.212 4.350 -0.001 0.000 0.190 1304 E C 1.855 178.426 176.600 -0.049 0.000 0.979 1304 E CA 0.960 57.245 56.400 -0.192 0.000 0.814 1304 E CB -0.544 29.213 29.700 0.096 0.000 0.762 1304 E HN 0.670 nan 8.360 nan 0.000 0.460 1305 Y N 1.373 121.635 120.300 -0.063 0.000 2.207 1305 Y HA -0.221 4.328 4.550 -0.001 0.000 0.287 1305 Y C 2.006 177.859 175.900 -0.078 0.000 1.156 1305 Y CA 2.161 60.231 58.100 -0.050 0.000 1.182 1305 Y CB -0.001 38.443 38.460 -0.026 0.000 0.979 1305 Y HN 0.154 nan 8.280 nan 0.000 0.521 1306 Q N -0.617 119.191 119.800 0.013 0.000 2.170 1306 Q HA -0.194 4.146 4.340 -0.001 0.000 0.203 1306 Q C 2.279 178.200 176.000 -0.131 0.000 0.976 1306 Q CA 1.399 57.190 55.803 -0.021 0.000 0.858 1306 Q CB -0.174 28.590 28.738 0.044 0.000 0.907 1306 Q HN 0.485 nan 8.270 nan 0.000 0.433 1307 R N -0.275 120.092 120.500 -0.222 0.000 2.115 1307 R HA -0.048 4.291 4.340 -0.001 0.000 0.226 1307 R C 2.240 178.359 176.300 -0.301 0.000 1.100 1307 R CA 1.417 57.318 56.100 -0.332 0.000 0.980 1307 R CB -0.112 29.845 30.300 -0.572 0.000 0.875 1307 R HN 0.180 nan 8.270 nan 0.000 0.445 1308 T N 1.535 115.911 114.554 -0.296 0.000 2.821 1308 T HA -0.056 4.294 4.350 -0.001 0.000 0.267 1308 T C 1.791 176.299 174.700 -0.320 0.000 1.046 1308 T CA 0.894 62.782 62.100 -0.352 0.000 1.139 1308 T CB -0.045 68.498 68.868 -0.541 0.000 0.871 1308 T HN 0.140 nan 8.240 nan 0.000 0.454 1309 L N 0.727 121.768 121.223 -0.304 0.000 2.141 1309 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 1309 L C 2.787 179.604 176.870 -0.089 0.000 1.094 1309 L CA 0.973 55.706 54.840 -0.178 0.000 0.763 1309 L CB -0.441 41.549 42.059 -0.114 0.000 0.908 1309 L HN 0.167 nan 8.230 nan 0.000 0.437 1310 E N -0.126 120.014 120.200 -0.100 0.000 2.150 1310 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 1310 E C 2.377 178.949 176.600 -0.047 0.000 0.985 1310 E CA 0.862 57.223 56.400 -0.065 0.000 0.814 1310 E CB -0.203 29.441 29.700 -0.093 0.000 0.752 1310 E HN 0.277 nan 8.360 nan 0.000 0.466 1311 V N 1.817 121.684 119.914 -0.079 0.000 2.343 1311 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 1311 V C 2.496 178.601 176.094 0.019 0.000 1.051 1311 V CA 1.171 63.454 62.300 -0.028 0.000 1.036 1311 V CB -0.439 31.319 31.823 -0.108 0.000 0.654 1311 V HN 0.252 nan 8.190 nan 0.000 0.451 1312 L N -0.032 121.162 121.223 -0.048 0.000 2.012 1312 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 1312 L C 2.537 179.495 176.870 0.145 0.000 1.073 1312 L CA 2.409 57.257 54.840 0.014 0.000 0.748 1312 L CB -1.024 41.052 42.059 0.027 0.000 0.891 1312 L HN 0.403 nan 8.230 nan 0.000 0.431 1313 K N -0.129 120.323 120.400 0.086 0.000 2.032 1313 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 1313 K C 1.885 178.524 176.600 0.066 0.000 1.048 1313 K CA 2.001 58.335 56.287 0.078 0.000 0.927 1313 K CB -0.020 32.502 32.500 0.038 0.000 0.712 1313 K HN 0.202 nan 8.250 nan 0.000 0.441 1314 T N 0.169 114.752 114.554 0.049 0.000 2.929 1314 T HA -0.103 4.247 4.350 -0.001 0.000 0.271 1314 T C 0.968 175.590 174.700 -0.131 0.000 1.085 1314 T CA 0.947 63.028 62.100 -0.031 0.000 1.125 1314 T CB -0.188 68.660 68.868 -0.033 0.000 0.874 1314 T HN 0.363 nan 8.240 nan 0.000 0.494 1315 H N -0.566 118.533 119.070 0.049 0.000 2.542 1315 H HA 0.344 4.899 4.556 -0.001 0.000 0.283 1315 H C 1.699 177.155 175.328 0.213 0.000 1.059 1315 H CA 0.322 56.439 56.048 0.114 0.000 1.162 1315 H CB 0.445 30.268 29.762 0.102 0.000 1.539 1315 H HN 0.468 nan 8.280 nan 0.000 0.543 1316 G N 0.986 109.907 108.800 0.202 0.000 2.147 1316 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 1316 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 1316 G C -0.524 174.439 174.900 0.105 0.000 1.005 1316 G CA 0.012 45.177 45.100 0.109 0.000 0.713 1316 G HN 0.256 nan 8.290 nan 0.000 0.515 1317 W N 0.232 121.532 121.300 -0.001 0.000 2.512 1317 W HA 0.716 5.376 4.660 -0.001 0.000 0.335 1317 W C 0.637 177.145 176.519 -0.019 0.000 1.088 1317 W CA -0.323 57.009 57.345 -0.021 0.000 1.236 1317 W CB 1.694 31.142 29.460 -0.019 0.000 1.307 1317 W HN 0.265 nan 8.180 nan 0.000 0.567 1318 S N 2.475 118.287 115.700 0.187 0.000 2.541 1318 S HA 0.351 4.820 4.470 -0.001 0.000 0.283 1318 S C -1.641 173.054 174.600 0.158 0.000 1.196 1318 S CA -1.481 56.790 58.200 0.120 0.000 1.062 1318 S CB 1.199 64.424 63.200 0.042 0.000 1.009 1318 S HN 0.212 nan 8.310 nan 0.000 0.502 1319 P HA -0.062 nan 4.420 nan 0.000 0.225 1319 P C 1.249 178.652 177.300 0.171 0.000 1.148 1319 P CA 0.878 64.060 63.100 0.137 0.000 0.779 1319 P CB -0.048 31.713 31.700 0.102 0.000 0.780 1320 S N -1.390 114.400 115.700 0.149 0.000 2.547 1320 S HA -0.034 4.436 4.470 -0.001 0.000 0.235 1320 S C 1.706 176.444 174.600 0.230 0.000 0.980 1320 S CA 0.470 58.778 58.200 0.180 0.000 0.941 1320 S CB -0.620 62.655 63.200 0.125 0.000 0.763 1320 S HN 0.031 nan 8.310 nan 0.000 0.532 1321 R N 0.181 120.793 120.500 0.188 0.000 2.310 1321 R HA 0.276 4.616 4.340 -0.001 0.000 0.202 1321 R C -0.087 176.423 176.300 0.350 0.000 0.933 1321 R CA -0.040 56.153 56.100 0.155 0.000 1.054 1321 R CB -0.892 29.538 30.300 0.216 0.000 0.985 1321 R HN 0.415 nan 8.270 nan 0.000 0.489 1322 C N 1.492 120.990 119.300 0.329 0.000 2.369 1322 C HA 0.520 4.980 4.460 -0.001 0.000 0.358 1322 C C 0.716 175.909 174.990 0.338 0.000 1.274 1322 C CA -0.587 58.609 59.018 0.297 0.000 1.935 1322 C CB 0.125 28.047 27.740 0.302 0.000 2.431 1322 C HN 0.263 nan 8.230 nan 0.000 0.545 1323 I N 5.672 126.398 120.570 0.260 0.000 2.641 1323 I HA 0.209 4.379 4.170 -0.001 0.000 0.275 1323 I C -2.171 174.042 176.117 0.160 0.000 1.129 1323 I CA -1.425 60.009 61.300 0.224 0.000 1.094 1323 I CB 1.313 39.440 38.000 0.212 0.000 1.232 1323 I HN 0.437 nan 8.210 nan 0.000 0.503 1324 P HA -0.085 nan 4.420 nan 0.000 0.265 1324 P C -0.357 177.008 177.300 0.108 0.000 1.193 1324 P CA 0.419 63.597 63.100 0.130 0.000 0.765 1324 P CB 0.590 32.318 31.700 0.047 0.000 0.823 1325 H N 2.335 121.440 119.070 0.058 0.000 2.690 1325 H HA 0.314 4.869 4.556 -0.001 0.000 0.365 1325 H C 0.442 175.786 175.328 0.027 0.000 1.142 1325 H CA 1.251 57.341 56.048 0.070 0.000 1.417 1325 H CB 0.233 30.060 29.762 0.109 0.000 1.446 1325 H HN 0.801 nan 8.280 nan 0.000 0.599 1326 G N 2.062 110.544 108.800 -0.530 0.000 3.224 1326 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.684 1326 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.684 1326 G C 0.060 174.620 174.900 -0.567 0.000 1.180 1326 G CA -0.265 44.602 45.100 -0.389 0.000 1.099 1326 G HN 0.904 nan 8.290 nan 0.000 0.476 1327 G N 1.981 110.630 108.800 -0.252 0.000 2.807 1327 G HA2 0.732 4.692 3.960 -0.001 0.000 0.316 1327 G HA3 0.732 4.692 3.960 -0.001 0.000 0.316 1327 G C 0.056 174.912 174.900 -0.074 0.000 0.900 1327 G CA 0.401 45.370 45.100 -0.220 0.000 1.499 1327 G HN 1.717 nan 8.290 nan 0.000 0.484 1328 H N -2.460 116.671 119.070 0.101 0.000 2.948 1328 H HA 0.361 4.916 4.556 -0.001 0.000 0.315 1328 H C 0.858 176.283 175.328 0.163 0.000 1.360 1328 H CA -0.971 55.202 56.048 0.208 0.000 1.125 1328 H CB 0.683 30.700 29.762 0.425 0.000 1.844 1328 H HN 0.069 nan 8.280 nan 0.000 0.529 1329 Q N -0.608 119.459 119.800 0.445 0.000 2.226 1329 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 1329 Q C 1.585 177.678 176.000 0.154 0.000 0.975 1329 Q CA 1.913 57.862 55.803 0.244 0.000 0.866 1329 Q CB -0.108 28.735 28.738 0.175 0.000 0.915 1329 Q HN 0.567 nan 8.270 nan 0.000 0.440 1330 M N 0.011 119.761 119.600 0.251 0.000 2.132 1330 M HA -0.110 4.370 4.480 -0.001 0.000 0.263 1330 M C 1.893 178.244 176.300 0.085 0.000 1.065 1330 M CA 1.655 57.015 55.300 0.100 0.000 1.122 1330 M CB -0.161 32.448 32.600 0.015 0.000 1.365 1330 M HN -0.064 nan 8.290 nan 0.000 0.411 1331 S N 0.394 116.187 115.700 0.155 0.000 2.368 1331 S HA -0.072 4.397 4.470 -0.001 0.000 0.225 1331 S C 1.863 176.437 174.600 -0.044 0.000 1.030 1331 S CA 1.468 59.641 58.200 -0.046 0.000 0.999 1331 S CB -0.565 62.508 63.200 -0.213 0.000 0.844 1331 S HN 0.550 nan 8.310 nan 0.000 0.459 1332 L N 1.716 122.939 121.223 -0.000 0.000 2.083 1332 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 1332 L C 2.360 179.199 176.870 -0.051 0.000 1.083 1332 L CA 0.981 55.812 54.840 -0.016 0.000 0.752 1332 L CB -0.586 41.493 42.059 0.033 0.000 0.899 1332 L HN 0.341 nan 8.230 nan 0.000 0.433 1333 N N 0.514 119.205 118.700 -0.015 0.000 2.106 1333 N HA -0.146 4.594 4.740 -0.001 0.000 0.188 1333 N C 1.942 177.455 175.510 0.005 0.000 1.029 1333 N CA 1.836 54.905 53.050 0.033 0.000 0.848 1333 N CB -0.074 38.450 38.487 0.061 0.000 1.007 1333 N HN 0.482 nan 8.380 nan 0.000 0.423 1334 I N -1.067 119.461 120.570 -0.071 0.000 2.394 1334 I HA -0.044 4.125 4.170 -0.001 0.000 0.251 1334 I C 2.294 178.379 176.117 -0.053 0.000 1.136 1334 I CA 0.971 62.202 61.300 -0.116 0.000 1.425 1334 I CB -0.384 37.464 38.000 -0.253 0.000 1.079 1334 I HN -0.125 nan 8.210 nan 0.000 0.425 1335 A N 1.753 124.551 122.820 -0.036 0.000 1.855 1335 A HA 0.067 4.386 4.320 -0.001 0.000 0.215 1335 A C 2.579 180.169 177.584 0.010 0.000 1.191 1335 A CA 1.829 53.873 52.037 0.011 0.000 0.613 1335 A CB -1.028 17.981 19.000 0.015 0.000 0.829 1335 A HN 0.559 nan 8.150 nan 0.000 0.442 1336 A N -0.798 121.997 122.820 -0.041 0.000 1.969 1336 A HA 0.204 4.524 4.320 -0.001 0.000 0.218 1336 A C 2.268 179.892 177.584 0.066 0.000 1.169 1336 A CA 1.747 53.746 52.037 -0.063 0.000 0.635 1336 A CB -1.021 17.768 19.000 -0.352 0.000 0.810 1336 A HN 0.689 nan 8.150 nan 0.000 0.445 1337 G N -0.828 108.028 108.800 0.093 0.000 2.453 1337 G HA2 0.143 4.102 3.960 -0.001 0.000 0.215 1337 G HA3 0.143 4.102 3.960 -0.001 0.000 0.215 1337 G C 1.194 176.074 174.900 -0.033 0.000 1.147 1337 G CA 0.676 45.832 45.100 0.094 0.000 0.802 1337 G HN 0.419 nan 8.290 nan 0.000 0.535 1338 L N 0.141 121.329 121.223 -0.057 0.000 2.808 1338 L HA 0.356 4.695 4.340 -0.001 0.000 0.246 1338 L C 1.517 178.380 176.870 -0.012 0.000 1.153 1338 L CA 0.171 54.942 54.840 -0.116 0.000 0.956 1338 L CB 0.394 42.393 42.059 -0.100 0.000 1.270 1338 L HN 0.238 nan 8.230 nan 0.000 0.528 1339 G N 1.418 110.238 108.800 0.033 0.000 2.272 1339 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.280 1339 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.280 1339 G C 0.135 175.101 174.900 0.110 0.000 1.067 1339 G CA 0.004 45.146 45.100 0.070 0.000 0.902 1339 G HN 0.231 nan 8.290 nan 0.000 0.500 1340 L N -0.992 120.309 121.223 0.129 0.000 2.479 1340 L HA 0.537 4.876 4.340 -0.001 0.000 0.248 1340 L C 2.057 179.067 176.870 0.233 0.000 1.205 1340 L CA -0.050 54.904 54.840 0.189 0.000 0.817 1340 L CB 0.264 42.439 42.059 0.193 0.000 1.162 1340 L HN 0.182 nan 8.230 nan 0.000 0.486 1341 G N -1.023 107.972 108.800 0.324 0.000 2.572 1341 G HA2 0.383 4.343 3.960 -0.001 0.000 0.216 1341 G HA3 0.383 4.343 3.960 -0.001 0.000 0.216 1341 G C 0.518 175.665 174.900 0.412 0.000 1.133 1341 G CA 0.717 46.076 45.100 0.432 0.000 0.791 1341 G HN 0.950 nan 8.290 nan 0.000 0.538 1342 G N -1.139 107.861 108.800 0.333 0.000 2.350 1342 G HA2 0.237 4.196 3.960 -0.001 0.000 0.276 1342 G HA3 0.237 4.196 3.960 -0.001 0.000 0.276 1342 G C -1.737 173.251 174.900 0.147 0.000 1.313 1342 G CA -0.693 44.593 45.100 0.311 0.000 0.903 1342 G HN 0.277 nan 8.290 nan 0.000 0.490 1343 N N -0.326 118.377 118.700 0.005 0.000 2.647 1343 N HA 0.508 5.247 4.740 -0.001 0.000 0.266 1343 N C -1.188 174.158 175.510 -0.274 0.000 1.373 1343 N CA -0.529 52.468 53.050 -0.090 0.000 0.807 1343 N CB 2.758 41.180 38.487 -0.109 0.000 1.513 1343 N HN 0.785 nan 8.380 nan 0.000 0.505 1344 E N -0.460 119.481 120.200 -0.432 0.000 2.235 1344 E HA 0.607 4.957 4.350 -0.001 0.000 0.265 1344 E C -1.329 174.801 176.600 -0.783 0.000 0.940 1344 E CA -0.695 55.102 56.400 -1.005 0.000 0.819 1344 E CB 2.217 31.314 29.700 -1.004 0.000 1.206 1344 E HN 0.230 nan 8.360 nan 0.000 0.409 1345 S N 1.195 116.337 115.700 -0.930 0.000 2.540 1345 S HA 0.444 4.914 4.470 -0.001 0.000 0.275 1345 S C -1.934 172.214 174.600 -0.754 0.000 1.123 1345 S CA -0.679 57.151 58.200 -0.617 0.000 0.907 1345 S CB 0.735 63.805 63.200 -0.216 0.000 1.081 1345 S HN 0.512 nan 8.310 nan 0.000 0.476 1346 Y N 2.874 123.027 120.300 -0.245 0.000 2.842 1346 Y HA 0.368 4.917 4.550 -0.001 0.000 0.334 1346 Y C -2.356 173.429 175.900 -0.191 0.000 1.019 1346 Y CA -2.177 55.814 58.100 -0.183 0.000 1.258 1346 Y CB 0.623 39.115 38.460 0.054 0.000 1.106 1346 Y HN 0.450 nan 8.280 nan 0.000 0.545 1347 P HA -0.070 nan 4.420 nan 0.000 0.256 1347 P C -0.017 177.300 177.300 0.029 0.000 1.173 1347 P CA 1.105 64.184 63.100 -0.033 0.000 0.768 1347 P CB 0.378 32.065 31.700 -0.022 0.000 0.758 1348 D N 0.177 120.579 120.400 0.004 0.000 3.028 1348 D HA -0.159 4.481 4.640 -0.001 0.000 0.207 1348 D C -0.031 176.210 176.300 -0.098 0.000 1.100 1348 D CA 0.988 54.975 54.000 -0.022 0.000 0.995 1348 D CB -1.273 39.533 40.800 0.011 0.000 1.108 1348 D HN 0.332 nan 8.370 nan 0.000 0.421 1349 L N -1.002 120.123 121.223 -0.163 0.000 2.304 1349 L HA 0.509 4.849 4.340 -0.001 0.000 0.268 1349 L C 1.015 177.698 176.870 -0.311 0.000 1.010 1349 L CA -1.065 53.510 54.840 -0.442 0.000 0.813 1349 L CB 0.553 42.072 42.059 -0.901 0.000 1.315 1349 L HN -0.051 nan 8.230 nan 0.000 0.445 1350 F N -0.719 119.203 119.950 -0.048 0.000 3.079 1350 F HA -0.244 4.283 4.527 -0.001 0.000 0.274 1350 F C 0.608 176.428 175.800 0.034 0.000 0.940 1350 F CA -0.103 57.883 58.000 -0.024 0.000 0.932 1350 F CB -1.484 37.483 39.000 -0.055 0.000 0.891 1350 F HN 0.522 nan 8.300 nan 0.000 0.722 1351 Q N 1.849 121.701 119.800 0.087 0.000 2.394 1351 Q HA 0.143 4.482 4.340 -0.001 0.000 0.248 1351 Q C -1.081 174.904 176.000 -0.026 0.000 0.992 1351 Q CA -1.279 54.531 55.803 0.010 0.000 0.888 1351 Q CB 0.526 29.240 28.738 -0.040 0.000 1.257 1351 Q HN 0.072 nan 8.270 nan 0.000 0.462 1352 P HA 0.014 nan 4.420 nan 0.000 0.261 1352 P C 0.301 177.399 177.300 -0.337 0.000 1.268 1352 P CA 0.466 63.395 63.100 -0.286 0.000 0.833 1352 P CB 0.209 31.702 31.700 -0.345 0.000 1.231 1353 Y N 1.205 121.360 120.300 -0.241 0.000 2.181 1353 Y HA 0.010 4.559 4.550 -0.001 0.000 0.288 1353 Y C 2.076 177.967 175.900 -0.015 0.000 1.146 1353 Y CA 1.162 59.016 58.100 -0.410 0.000 1.164 1353 Y CB -1.283 36.683 38.460 -0.824 0.000 0.982 1353 Y HN -0.030 nan 8.280 nan 0.000 0.515 1354 G N -0.566 108.364 108.800 0.215 0.000 2.476 1354 G HA2 0.487 4.447 3.960 -0.001 0.000 0.269 1354 G HA3 0.487 4.447 3.960 -0.001 0.000 0.269 1354 G C 0.165 175.071 174.900 0.011 0.000 1.195 1354 G CA 0.320 45.542 45.100 0.204 0.000 0.843 1354 G HN 0.614 nan 8.290 nan 0.000 0.545 1355 G N -0.620 108.075 108.800 -0.174 0.000 2.331 1355 G HA2 0.342 4.302 3.960 -0.001 0.000 0.479 1355 G HA3 0.342 4.302 3.960 -0.001 0.000 0.479 1355 G C -0.955 173.616 174.900 -0.548 0.000 1.262 1355 G CA -0.727 44.061 45.100 -0.520 0.000 1.029 1355 G HN 0.804 nan 8.290 nan 0.000 0.487 1356 F N 0.117 120.108 119.950 0.070 0.000 2.639 1356 F HA 0.752 5.279 4.527 -0.001 0.000 0.339 1356 F C -1.985 173.851 175.800 0.060 0.000 1.071 1356 F CA -2.260 55.770 58.000 0.049 0.000 0.994 1356 F CB 0.820 39.822 39.000 0.003 0.000 1.341 1356 F HN 0.308 nan 8.300 nan 0.000 0.498 1357 P HA 0.052 nan 4.420 nan 0.000 0.270 1357 P C -1.021 176.363 177.300 0.140 0.000 1.223 1357 P CA -0.130 63.067 63.100 0.162 0.000 0.785 1357 P CB 0.385 32.158 31.700 0.122 0.000 0.923 1358 D N 0.881 121.343 120.400 0.102 0.000 2.493 1358 D HA 0.239 4.878 4.640 -0.001 0.000 0.240 1358 D C 1.627 177.967 176.300 0.066 0.000 1.142 1358 D CA 1.747 55.795 54.000 0.080 0.000 0.872 1358 D CB -0.013 40.823 40.800 0.061 0.000 1.173 1358 D HN 0.655 nan 8.370 nan 0.000 0.467 1359 G N 0.866 109.701 108.800 0.060 0.000 2.358 1359 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.224 1359 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.224 1359 G C 0.420 175.334 174.900 0.023 0.000 1.073 1359 G CA 0.102 45.224 45.100 0.037 0.000 0.635 1359 G HN 0.858 nan 8.290 nan 0.000 0.509 1360 V N 0.722 120.655 119.914 0.031 0.000 2.614 1360 V HA 0.784 4.904 4.120 -0.001 0.000 0.291 1360 V C 0.324 176.382 176.094 -0.059 0.000 1.049 1360 V CA 0.141 62.422 62.300 -0.032 0.000 1.038 1360 V CB 0.996 32.788 31.823 -0.052 0.000 0.980 1360 V HN 1.084 nan 8.190 nan 0.000 0.481 1361 R N 2.946 123.359 120.500 -0.144 0.000 2.867 1361 R HA 0.844 5.183 4.340 -0.001 0.000 0.268 1361 R C -1.483 174.624 176.300 -0.321 0.000 1.014 1361 R CA -1.024 54.973 56.100 -0.172 0.000 0.946 1361 R CB 1.887 32.134 30.300 -0.089 0.000 1.208 1361 R HN 0.460 nan 8.270 nan 0.000 0.477 1362 V N 1.499 121.185 119.914 -0.380 0.000 2.488 1362 V HA 0.204 4.323 4.120 -0.001 0.000 0.277 1362 V C -0.131 175.782 176.094 -0.303 0.000 1.046 1362 V CA 0.019 62.031 62.300 -0.479 0.000 0.986 1362 V CB 0.817 32.161 31.823 -0.798 0.000 0.989 1362 V HN 0.735 nan 8.190 nan 0.000 0.475 1363 E N 4.286 124.357 120.200 -0.216 0.000 2.244 1363 E HA 0.362 4.711 4.350 -0.001 0.000 0.260 1363 E C -0.453 176.122 176.600 -0.042 0.000 0.884 1363 E CA -0.719 55.610 56.400 -0.117 0.000 0.777 1363 E CB 1.114 30.758 29.700 -0.093 0.000 1.197 1363 E HN 0.692 nan 8.360 nan 0.000 0.416 1364 N N 2.190 120.878 118.700 -0.021 0.000 2.725 1364 N HA -0.226 4.514 4.740 -0.001 0.000 0.251 1364 N C 0.580 176.203 175.510 0.188 0.000 1.031 1364 N CA 1.298 54.383 53.050 0.058 0.000 0.720 1364 N CB -1.001 37.516 38.487 0.049 0.000 0.930 1364 N HN 1.066 nan 8.380 nan 0.000 0.543 1365 G N -0.974 107.850 108.800 0.041 0.000 2.168 1365 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.257 1365 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.257 1365 G C -0.192 174.584 174.900 -0.206 0.000 0.997 1365 G CA 1.144 46.227 45.100 -0.028 0.000 0.708 1365 G HN 0.837 nan 8.290 nan 0.000 0.520 1366 H N -1.227 117.759 119.070 -0.140 0.000 2.980 1366 H HA 0.684 5.239 4.556 -0.001 0.000 0.367 1366 H C 0.097 175.264 175.328 -0.268 0.000 1.206 1366 H CA -0.304 55.656 56.048 -0.147 0.000 1.126 1366 H CB 1.493 31.230 29.762 -0.042 0.000 1.838 1366 H HN 0.587 nan 8.280 nan 0.000 0.552 1367 I N -1.853 118.611 120.570 -0.177 0.000 2.846 1367 I HA 0.753 4.922 4.170 -0.001 0.000 0.307 1367 I C -0.611 175.398 176.117 -0.180 0.000 1.053 1367 I CA -0.491 60.626 61.300 -0.306 0.000 1.050 1367 I CB 2.293 39.936 38.000 -0.594 0.000 1.239 1367 I HN 0.448 nan 8.210 nan 0.000 0.439 1368 T N 5.092 119.542 114.554 -0.173 0.000 2.786 1368 T HA 0.480 4.829 4.350 -0.001 0.000 0.283 1368 T C -0.118 174.497 174.700 -0.142 0.000 0.992 1368 T CA -0.463 61.559 62.100 -0.132 0.000 0.954 1368 T CB 0.899 69.714 68.868 -0.088 0.000 0.934 1368 T HN 0.439 nan 8.240 nan 0.000 0.440 1369 M N 5.727 125.203 119.600 -0.205 0.000 2.217 1369 M HA 0.238 4.718 4.480 -0.001 0.000 0.352 1369 M C -1.987 174.284 176.300 -0.048 0.000 1.376 1369 M CA -2.660 52.506 55.300 -0.222 0.000 1.107 1369 M CB -0.062 32.162 32.600 -0.627 0.000 1.723 1369 M HN 0.329 nan 8.290 nan 0.000 0.461 1370 P HA 0.170 nan 4.420 nan 0.000 0.281 1370 P C -0.832 176.603 177.300 0.224 0.000 1.249 1370 P CA -0.355 62.809 63.100 0.107 0.000 0.810 1370 P CB 0.975 32.716 31.700 0.069 0.000 1.008 1371 D N 2.570 123.082 120.400 0.187 0.000 2.600 1371 D HA 0.181 4.820 4.640 -0.001 0.000 0.226 1371 D C 0.135 176.480 176.300 0.074 0.000 1.119 1371 D CA 0.349 54.438 54.000 0.149 0.000 1.051 1371 D CB -0.155 40.688 40.800 0.072 0.000 1.106 1371 D HN 0.243 nan 8.370 nan 0.000 0.491 1372 L N 2.701 123.983 121.223 0.099 0.000 2.325 1372 L HA 0.346 4.686 4.340 -0.001 0.000 0.279 1372 L C -1.904 174.975 176.870 0.015 0.000 1.054 1372 L CA -1.935 52.933 54.840 0.047 0.000 0.804 1372 L CB 1.492 43.583 42.059 0.054 0.000 1.200 1372 L HN -0.046 nan 8.230 nan 0.000 0.436 1373 P HA 0.093 nan 4.420 nan 0.000 0.269 1373 P C 0.402 177.699 177.300 -0.004 0.000 1.209 1373 P CA 0.563 63.655 63.100 -0.013 0.000 0.776 1373 P CB 0.993 32.690 31.700 -0.005 0.000 0.876 1374 G N 2.615 111.414 108.800 -0.003 0.000 2.552 1374 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.265 1374 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.265 1374 G C 0.911 175.790 174.900 -0.035 0.000 1.234 1374 G CA 0.142 45.248 45.100 0.008 0.000 0.944 1374 G HN 0.447 nan 8.290 nan 0.000 0.568 1375 I N 1.785 122.270 120.570 -0.142 0.000 2.546 1375 I HA 0.206 4.375 4.170 -0.001 0.000 0.255 1375 I C 2.324 178.266 176.117 -0.291 0.000 1.163 1375 I CA 1.656 62.768 61.300 -0.314 0.000 1.457 1375 I CB -0.369 37.161 38.000 -0.784 0.000 1.092 1375 I HN 1.891 nan 8.210 nan 0.000 0.434 1376 G N -0.071 108.599 108.800 -0.218 0.000 2.138 1376 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.193 1376 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.193 1376 G C 0.614 175.524 174.900 0.015 0.000 0.998 1376 G CA -0.211 44.850 45.100 -0.064 0.000 0.668 1376 G HN 0.316 nan 8.290 nan 0.000 0.516 1377 F N 0.861 120.897 119.950 0.144 0.000 2.126 1377 F HA -0.046 4.481 4.527 -0.001 0.000 0.299 1377 F C 2.518 178.348 175.800 0.050 0.000 1.096 1377 F CA 1.470 59.565 58.000 0.157 0.000 1.255 1377 F CB -0.075 39.085 39.000 0.266 0.000 0.997 1377 F HN 0.215 nan 8.300 nan 0.000 0.479 1378 E N 0.161 120.402 120.200 0.068 0.000 2.333 1378 E HA -0.154 4.195 4.350 -0.001 0.000 0.200 1378 E C 2.127 178.656 176.600 -0.117 0.000 1.010 1378 E CA 0.969 57.158 56.400 -0.352 0.000 0.841 1378 E CB -0.699 28.746 29.700 -0.425 0.000 0.757 1378 E HN 0.390 nan 8.360 nan 0.000 0.508 1379 G N -0.060 108.751 108.800 0.018 0.000 3.042 1379 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.212 1379 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.212 1379 G C 0.405 175.356 174.900 0.085 0.000 1.166 1379 G CA -0.336 44.791 45.100 0.045 0.000 0.767 1379 G HN 0.051 nan 8.290 nan 0.000 0.546 1380 K N 1.348 121.822 120.400 0.123 0.000 2.624 1380 K HA 0.262 4.582 4.320 -0.001 0.000 0.200 1380 K C 1.747 178.414 176.600 0.111 0.000 1.036 1380 K CA 0.157 56.516 56.287 0.121 0.000 1.029 1380 K CB 0.489 33.084 32.500 0.157 0.000 1.317 1380 K HN 0.138 nan 8.250 nan 0.000 0.555 1381 S N 2.251 118.007 115.700 0.093 0.000 2.412 1381 S HA -0.299 4.170 4.470 -0.001 0.000 0.246 1381 S C 1.255 175.884 174.600 0.048 0.000 1.073 1381 S CA 1.948 60.204 58.200 0.094 0.000 1.186 1381 S CB -0.428 62.809 63.200 0.061 0.000 1.084 1381 S HN 0.639 nan 8.310 nan 0.000 0.434 1382 D N 1.186 121.585 120.400 -0.000 0.000 2.190 1382 D HA -0.068 4.572 4.640 -0.001 0.000 0.200 1382 D C 1.913 178.135 176.300 -0.130 0.000 0.992 1382 D CA 1.299 55.262 54.000 -0.062 0.000 0.854 1382 D CB -0.250 40.510 40.800 -0.067 0.000 0.936 1382 D HN 0.427 nan 8.370 nan 0.000 0.462 1383 L N -0.627 120.531 121.223 -0.108 0.000 2.102 1383 L HA -0.141 4.199 4.340 -0.001 0.000 0.202 1383 L C 2.435 179.198 176.870 -0.179 0.000 1.076 1383 L CA 0.627 55.334 54.840 -0.220 0.000 0.761 1383 L CB -0.192 41.784 42.059 -0.138 0.000 0.921 1383 L HN -0.053 nan 8.230 nan 0.000 0.444 1384 Y N 1.815 122.024 120.300 -0.151 0.000 2.207 1384 Y HA -0.318 4.232 4.550 -0.001 0.000 0.287 1384 Y C 2.534 178.324 175.900 -0.182 0.000 1.156 1384 Y CA 2.152 60.160 58.100 -0.153 0.000 1.182 1384 Y CB -0.307 38.139 38.460 -0.024 0.000 0.979 1384 Y HN 0.247 nan 8.280 nan 0.000 0.521 1385 K N -0.525 119.742 120.400 -0.222 0.000 2.211 1385 K HA -0.246 4.074 4.320 -0.001 0.000 0.204 1385 K C 1.859 178.267 176.600 -0.321 0.000 1.047 1385 K CA 1.892 58.014 56.287 -0.275 0.000 0.935 1385 K CB -0.337 32.079 32.500 -0.140 0.000 0.728 1385 K HN 0.273 nan 8.250 nan 0.000 0.452 1386 E N 1.020 121.026 120.200 -0.324 0.000 2.072 1386 E HA -0.038 4.311 4.350 -0.001 0.000 0.190 1386 E C 2.007 178.387 176.600 -0.366 0.000 0.982 1386 E CA 1.313 57.526 56.400 -0.311 0.000 0.803 1386 E CB -0.038 29.446 29.700 -0.360 0.000 0.755 1386 E HN 0.362 nan 8.360 nan 0.000 0.453 1387 M N 0.596 119.872 119.600 -0.540 0.000 2.099 1387 M HA -0.128 4.352 4.480 -0.001 0.000 0.262 1387 M C 2.170 178.069 176.300 -0.668 0.000 1.067 1387 M CA 1.825 56.650 55.300 -0.792 0.000 1.124 1387 M CB -0.354 31.426 32.600 -1.366 0.000 1.353 1387 M HN 0.029 nan 8.290 nan 0.000 0.410 1388 K N 0.660 120.624 120.400 -0.726 0.000 2.148 1388 K HA 0.024 4.343 4.320 -0.001 0.000 0.204 1388 K C 1.843 178.312 176.600 -0.218 0.000 1.050 1388 K CA 1.444 57.477 56.287 -0.424 0.000 0.942 1388 K CB -0.491 31.654 32.500 -0.592 0.000 0.724 1388 K HN 0.228 nan 8.250 nan 0.000 0.446 1389 A N 1.295 123.970 122.820 -0.243 0.000 2.121 1389 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 1389 A C 2.011 179.544 177.584 -0.085 0.000 1.154 1389 A CA 0.843 52.795 52.037 -0.141 0.000 0.679 1389 A CB -0.306 18.607 19.000 -0.144 0.000 0.795 1389 A HN 0.363 nan 8.150 nan 0.000 0.458 1390 L N -2.075 119.099 121.223 -0.082 0.000 2.221 1390 L HA 0.571 4.911 4.340 -0.001 0.000 0.202 1390 L C 0.663 177.566 176.870 0.053 0.000 1.074 1390 L CA 1.507 56.343 54.840 -0.007 0.000 0.795 1390 L CB -0.006 42.059 42.059 0.011 0.000 0.960 1390 L HN 0.368 nan 8.230 nan 0.000 0.458 1391 A N -0.772 122.109 122.820 0.102 0.000 2.565 1391 A HA 0.641 4.960 4.320 -0.001 0.000 0.298 1391 A C -0.908 176.789 177.584 0.189 0.000 1.062 1391 A CA -0.426 51.695 52.037 0.141 0.000 0.723 1391 A CB 0.888 19.989 19.000 0.169 0.000 1.282 1391 A HN 0.209 nan 8.150 nan 0.000 0.400 1392 E N 0.000 120.276 120.200 0.126 0.000 2.725 1392 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 1392 E CA 0.000 56.484 56.400 0.141 0.000 0.976 1392 E CB 0.000 29.754 29.700 0.090 0.000 0.812 1392 E HN 0.000 nan 8.360 nan 0.000 0.440