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 1qpo_1_C DATA FIRST_RESID 1002 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 1002 G HA2 0.000 nan 3.960 nan 0.000 0.244 1002 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1002 G C 0.000 174.884 174.900 -0.027 0.000 0.946 1002 G CA 0.000 45.134 45.100 0.057 0.000 0.502 1003 L N 3.275 124.384 121.223 -0.191 0.000 2.416 1003 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 1003 L C 1.313 178.108 176.870 -0.124 0.000 1.161 1003 L CA -0.230 54.427 54.840 -0.305 0.000 0.845 1003 L CB 1.381 43.221 42.059 -0.366 0.000 1.119 1003 L HN 0.474 nan 8.230 nan 0.000 0.464 1004 S N 0.703 116.355 115.700 -0.080 0.000 2.671 1004 S HA 0.176 4.646 4.470 -0.000 0.000 0.272 1004 S C 0.515 175.116 174.600 0.002 0.000 1.174 1004 S CA -0.622 57.578 58.200 0.000 0.000 1.004 1004 S CB 1.103 64.340 63.200 0.062 0.000 1.077 1004 S HN 0.622 nan 8.310 nan 0.000 0.553 1005 D N 0.337 120.771 120.400 0.056 0.000 2.092 1005 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 1005 D C 1.550 177.931 176.300 0.135 0.000 0.994 1005 D CA 1.672 55.717 54.000 0.075 0.000 0.828 1005 D CB -0.348 40.505 40.800 0.088 0.000 0.963 1005 D HN 0.734 nan 8.370 nan 0.000 0.450 1006 W N 1.755 123.042 121.300 -0.021 0.000 2.342 1006 W HA -0.228 4.432 4.660 -0.000 0.000 0.297 1006 W C 1.379 177.881 176.519 -0.028 0.000 1.213 1006 W CA 1.157 58.491 57.345 -0.019 0.000 1.251 1006 W CB 0.042 29.496 29.460 -0.011 0.000 1.136 1006 W HN 0.071 nan 8.180 nan 0.000 0.526 1007 E N 0.244 120.293 120.200 -0.251 0.000 2.152 1007 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 1007 E C 2.252 178.664 176.600 -0.313 0.000 0.983 1007 E CA 0.772 56.913 56.400 -0.432 0.000 0.818 1007 E CB -0.376 29.125 29.700 -0.332 0.000 0.758 1007 E HN 0.144 nan 8.360 nan 0.000 0.467 1008 L N 0.753 121.866 121.223 -0.184 0.000 2.093 1008 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 1008 L C 2.265 179.067 176.870 -0.112 0.000 1.085 1008 L CA 1.566 56.325 54.840 -0.134 0.000 0.755 1008 L CB -0.977 41.038 42.059 -0.073 0.000 0.904 1008 L HN 0.072 nan 8.230 nan 0.000 0.435 1009 A N -0.424 122.346 122.820 -0.083 0.000 1.873 1009 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 1009 A C 2.468 179.985 177.584 -0.112 0.000 1.186 1009 A CA 1.660 53.673 52.037 -0.039 0.000 0.616 1009 A CB -0.678 18.370 19.000 0.080 0.000 0.823 1009 A HN 0.446 nan 8.150 nan 0.000 0.442 1010 A N -0.128 122.524 122.820 -0.279 0.000 1.933 1010 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 1010 A C 2.491 179.944 177.584 -0.220 0.000 1.175 1010 A CA 2.074 53.904 52.037 -0.344 0.000 0.628 1010 A CB -0.990 17.602 19.000 -0.680 0.000 0.814 1010 A HN 1.017 nan 8.150 nan 0.000 0.444 1011 A N 0.011 122.704 122.820 -0.212 0.000 1.858 1011 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 1011 A C 2.246 179.769 177.584 -0.101 0.000 1.190 1011 A CA 1.605 53.552 52.037 -0.151 0.000 0.617 1011 A CB -0.522 18.384 19.000 -0.157 0.000 0.827 1011 A HN 0.550 nan 8.150 nan 0.000 0.443 1012 R N -0.546 119.902 120.500 -0.086 0.000 2.091 1012 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 1012 R C 2.466 178.738 176.300 -0.046 0.000 1.136 1012 R CA 1.279 57.347 56.100 -0.054 0.000 0.959 1012 R CB -0.519 29.759 30.300 -0.036 0.000 0.856 1012 R HN 0.526 nan 8.270 nan 0.000 0.437 1013 A N 1.210 123.999 122.820 -0.050 0.000 1.902 1013 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 1013 A C 2.364 179.923 177.584 -0.041 0.000 1.181 1013 A CA 1.687 53.703 52.037 -0.036 0.000 0.623 1013 A CB -0.574 18.409 19.000 -0.028 0.000 0.818 1013 A HN 0.409 nan 8.150 nan 0.000 0.443 1014 A N 0.424 123.209 122.820 -0.059 0.000 1.873 1014 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 1014 A C 2.108 179.665 177.584 -0.046 0.000 1.186 1014 A CA 1.618 53.622 52.037 -0.055 0.000 0.616 1014 A CB -0.750 18.209 19.000 -0.069 0.000 0.823 1014 A HN 1.116 nan 8.150 nan 0.000 0.442 1015 I N -1.229 119.313 120.570 -0.048 0.000 2.361 1015 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 1015 I C 2.228 178.326 176.117 -0.031 0.000 1.133 1015 I CA 1.759 63.035 61.300 -0.040 0.000 1.413 1015 I CB -0.617 37.357 38.000 -0.043 0.000 1.073 1015 I HN 0.169 nan 8.210 nan 0.000 0.424 1016 A N 1.138 123.940 122.820 -0.029 0.000 1.930 1016 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 1016 A C 2.482 180.054 177.584 -0.021 0.000 1.175 1016 A CA 1.658 53.681 52.037 -0.022 0.000 0.627 1016 A CB -0.657 18.331 19.000 -0.019 0.000 0.815 1016 A HN 0.540 nan 8.150 nan 0.000 0.443 1017 R N -0.905 119.581 120.500 -0.023 0.000 2.090 1017 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 1017 R C 2.384 178.674 176.300 -0.017 0.000 1.110 1017 R CA 0.971 57.059 56.100 -0.019 0.000 0.973 1017 R CB -0.524 29.764 30.300 -0.021 0.000 0.869 1017 R HN 0.521 nan 8.270 nan 0.000 0.440 1018 G N 1.251 110.039 108.800 -0.021 0.000 2.404 1018 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 1018 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 1018 G C 1.443 176.338 174.900 -0.008 0.000 1.174 1018 G CA 0.386 45.476 45.100 -0.016 0.000 0.780 1018 G HN 0.103 nan 8.290 nan 0.000 0.537 1019 L N 0.345 121.561 121.223 -0.013 0.000 2.056 1019 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 1019 L C 2.554 179.420 176.870 -0.007 0.000 1.078 1019 L CA 1.439 56.274 54.840 -0.009 0.000 0.749 1019 L CB -0.361 41.689 42.059 -0.014 0.000 0.901 1019 L HN 0.209 nan 8.230 nan 0.000 0.433 1020 D N 0.174 120.565 120.400 -0.014 0.000 2.144 1020 D HA -0.216 4.424 4.640 -0.000 0.000 0.199 1020 D C 2.014 178.302 176.300 -0.019 0.000 0.984 1020 D CA 1.336 55.321 54.000 -0.025 0.000 0.834 1020 D CB 0.129 40.911 40.800 -0.030 0.000 0.955 1020 D HN 0.303 nan 8.370 nan 0.000 0.465 1021 E N -0.397 119.806 120.200 0.006 0.000 2.110 1021 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 1021 E C 1.408 178.069 176.600 0.102 0.000 0.988 1021 E CA 1.115 57.543 56.400 0.047 0.000 0.804 1021 E CB 0.001 29.729 29.700 0.046 0.000 0.745 1021 E HN 0.316 nan 8.360 nan 0.000 0.458 1022 D N -0.050 120.390 120.400 0.066 0.000 2.234 1022 D HA -0.008 4.631 4.640 -0.000 0.000 0.205 1022 D C 1.361 177.716 176.300 0.091 0.000 0.962 1022 D CA 0.659 54.708 54.000 0.082 0.000 0.855 1022 D CB 0.302 41.125 40.800 0.039 0.000 0.951 1022 D HN 0.097 nan 8.370 nan 0.000 0.500 1023 L N -0.244 121.003 121.223 0.041 0.000 2.640 1023 L HA 0.282 4.622 4.340 -0.000 0.000 0.230 1023 L C 2.046 178.891 176.870 -0.043 0.000 1.123 1023 L CA -0.138 54.712 54.840 0.016 0.000 0.900 1023 L CB 0.235 42.292 42.059 -0.003 0.000 1.146 1023 L HN -0.140 nan 8.230 nan 0.000 0.484 1024 R N 0.232 120.658 120.500 -0.124 0.000 2.152 1024 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 1024 R C 1.026 176.967 176.300 -0.599 0.000 1.117 1024 R CA 1.562 57.425 56.100 -0.395 0.000 0.981 1024 R CB 0.051 30.001 30.300 -0.584 0.000 0.870 1024 R HN 0.342 nan 8.270 nan 0.000 0.451 1025 Y N -0.877 119.420 120.300 -0.005 0.000 2.485 1025 Y HA 0.401 4.951 4.550 -0.000 0.000 0.260 1025 Y C 0.808 176.706 175.900 -0.004 0.000 1.173 1025 Y CA 0.272 58.369 58.100 -0.004 0.000 1.252 1025 Y CB 1.150 39.607 38.460 -0.005 0.000 1.123 1025 Y HN 0.251 nan 8.280 nan 0.000 0.524 1026 G N 0.587 109.421 108.800 0.058 0.000 2.381 1026 G HA2 0.001 3.961 3.960 -0.000 0.000 0.672 1026 G HA3 0.001 3.961 3.960 -0.000 0.000 0.672 1026 G C -2.965 171.962 174.900 0.044 0.000 1.324 1026 G CA -1.284 43.841 45.100 0.042 0.000 0.975 1026 G HN -0.084 nan 8.290 nan 0.000 0.593 1027 P HA 0.328 nan 4.420 nan 0.000 0.277 1027 P C -0.719 176.598 177.300 0.028 0.000 1.271 1027 P CA -0.300 62.814 63.100 0.024 0.000 0.795 1027 P CB 0.736 32.444 31.700 0.014 0.000 1.101 1028 D N 0.408 120.821 120.400 0.021 0.000 2.489 1028 D HA -0.026 4.614 4.640 -0.000 0.000 0.237 1028 D C 1.385 177.694 176.300 0.014 0.000 1.212 1028 D CA -0.047 53.964 54.000 0.018 0.000 1.058 1028 D CB -0.428 40.380 40.800 0.013 0.000 1.098 1028 D HN 0.022 nan 8.370 nan 0.000 0.509 1029 V N 3.537 123.461 119.914 0.016 0.000 2.380 1029 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 1029 V C 2.098 178.197 176.094 0.009 0.000 1.063 1029 V CA 2.802 65.110 62.300 0.013 0.000 1.055 1029 V CB -0.497 31.335 31.823 0.014 0.000 0.657 1029 V HN 0.646 nan 8.190 nan 0.000 0.455 1030 T N -1.031 113.528 114.554 0.008 0.000 2.904 1030 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 1030 T C 1.975 176.678 174.700 0.005 0.000 1.059 1030 T CA 2.595 64.698 62.100 0.005 0.000 1.137 1030 T CB -0.555 68.315 68.868 0.003 0.000 0.879 1030 T HN 0.862 nan 8.240 nan 0.000 0.467 1031 T N -0.193 114.365 114.554 0.006 0.000 2.985 1031 T HA 0.068 4.418 4.350 -0.000 0.000 0.266 1031 T C 1.913 176.616 174.700 0.006 0.000 1.076 1031 T CA 0.551 62.654 62.100 0.005 0.000 1.135 1031 T CB -0.428 68.443 68.868 0.005 0.000 0.890 1031 T HN 0.238 nan 8.240 nan 0.000 0.480 1032 L N 1.725 122.952 121.223 0.007 0.000 2.046 1032 L HA 0.259 4.599 4.340 -0.000 0.000 0.208 1032 L C 3.096 179.969 176.870 0.006 0.000 1.077 1032 L CA 1.774 56.618 54.840 0.007 0.000 0.747 1032 L CB -1.236 40.827 42.059 0.008 0.000 0.896 1032 L HN 0.456 nan 8.230 nan 0.000 0.432 1033 A N -1.426 121.398 122.820 0.006 0.000 1.968 1033 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 1033 A C 2.302 179.888 177.584 0.004 0.000 1.169 1033 A CA 1.960 54.000 52.037 0.005 0.000 0.638 1033 A CB -0.753 18.249 19.000 0.005 0.000 0.812 1033 A HN 0.511 nan 8.150 nan 0.000 0.446 1034 T N -3.776 110.781 114.554 0.004 0.000 3.023 1034 T HA 0.312 4.662 4.350 -0.000 0.000 0.249 1034 T C 0.491 175.193 174.700 0.004 0.000 1.050 1034 T CA 0.578 62.680 62.100 0.004 0.000 1.088 1034 T CB -0.353 68.517 68.868 0.003 0.000 0.946 1034 T HN 0.735 nan 8.240 nan 0.000 0.480 1035 V N 3.311 123.228 119.914 0.005 0.000 2.448 1035 V HA 0.643 4.763 4.120 -0.000 0.000 0.295 1035 V C -2.966 173.131 176.094 0.006 0.000 1.025 1035 V CA -2.829 59.475 62.300 0.005 0.000 0.859 1035 V CB 2.057 33.883 31.823 0.006 0.000 0.988 1035 V HN 0.078 nan 8.190 nan 0.000 0.431 1036 P HA 0.195 nan 4.420 nan 0.000 0.271 1036 P C 0.648 177.952 177.300 0.007 0.000 1.218 1036 P CA 0.218 63.321 63.100 0.006 0.000 0.780 1036 P CB 1.649 33.353 31.700 0.006 0.000 0.901 1037 A N 3.204 126.028 122.820 0.007 0.000 2.024 1037 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 1037 A C 2.078 179.668 177.584 0.010 0.000 1.164 1037 A CA 2.153 54.196 52.037 0.009 0.000 0.643 1037 A CB -1.515 17.490 19.000 0.008 0.000 0.806 1037 A HN 0.661 nan 8.150 nan 0.000 0.451 1038 S N -0.194 115.511 115.700 0.009 0.000 2.522 1038 S HA 0.419 4.889 4.470 -0.000 0.000 0.227 1038 S C 1.046 175.652 174.600 0.010 0.000 0.986 1038 S CA 0.273 58.478 58.200 0.009 0.000 0.929 1038 S CB -0.720 62.484 63.200 0.007 0.000 0.769 1038 S HN 0.898 nan 8.310 nan 0.000 0.529 1039 A N 1.328 124.154 122.820 0.010 0.000 2.520 1039 A HA 0.510 4.830 4.320 -0.000 0.000 0.235 1039 A C 0.309 177.902 177.584 0.014 0.000 1.065 1039 A CA 0.205 52.248 52.037 0.011 0.000 0.764 1039 A CB 0.041 19.047 19.000 0.009 0.000 1.002 1039 A HN 0.309 nan 8.150 nan 0.000 0.502 1040 T N 1.202 115.765 114.554 0.015 0.000 2.993 1040 T HA 0.673 5.022 4.350 -0.000 0.000 0.312 1040 T C -0.450 174.260 174.700 0.018 0.000 1.115 1040 T CA -0.110 62.002 62.100 0.019 0.000 1.027 1040 T CB 1.731 70.611 68.868 0.020 0.000 1.116 1040 T HN 0.983 nan 8.240 nan 0.000 0.464 1041 T N 0.039 114.605 114.554 0.020 0.000 2.838 1041 T HA 0.692 5.042 4.350 -0.000 0.000 0.292 1041 T C -0.666 174.048 174.700 0.023 0.000 1.113 1041 T CA -0.891 61.220 62.100 0.018 0.000 1.008 1041 T CB 1.738 70.615 68.868 0.013 0.000 1.259 1041 T HN 0.389 nan 8.240 nan 0.000 0.520 1042 T N 1.418 115.983 114.554 0.019 0.000 2.771 1042 T HA 0.740 5.090 4.350 -0.000 0.000 0.281 1042 T C -0.390 174.319 174.700 0.016 0.000 0.982 1042 T CA -0.480 61.632 62.100 0.021 0.000 0.978 1042 T CB 0.906 69.785 68.868 0.018 0.000 0.930 1042 T HN 0.980 nan 8.240 nan 0.000 0.447 1043 A N 2.589 125.418 122.820 0.016 0.000 2.454 1043 A HA 0.864 5.184 4.320 -0.000 0.000 0.302 1043 A C -0.418 177.170 177.584 0.008 0.000 1.079 1043 A CA -0.741 51.301 52.037 0.008 0.000 0.731 1043 A CB 1.689 20.690 19.000 0.003 0.000 1.299 1043 A HN 0.654 nan 8.150 nan 0.000 0.413 1044 S N 0.878 116.581 115.700 0.005 0.000 2.526 1044 S HA 0.559 5.029 4.470 -0.000 0.000 0.293 1044 S C -0.882 173.718 174.600 0.001 0.000 1.092 1044 S CA -0.552 57.651 58.200 0.005 0.000 0.980 1044 S CB 1.137 64.341 63.200 0.007 0.000 1.048 1044 S HN 0.544 nan 8.310 nan 0.000 0.483 1045 L N 3.881 125.104 121.223 0.000 0.000 2.283 1045 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 1045 L C -0.049 176.823 176.870 0.003 0.000 1.073 1045 L CA -0.164 54.675 54.840 -0.001 0.000 0.822 1045 L CB 0.546 42.603 42.059 -0.003 0.000 1.186 1045 L HN 0.532 nan 8.230 nan 0.000 0.436 1046 V N 2.571 122.487 119.914 0.003 0.000 2.540 1046 V HA 0.631 4.751 4.120 -0.000 0.000 0.302 1046 V C 0.340 176.437 176.094 0.005 0.000 1.035 1046 V CA -0.505 61.798 62.300 0.005 0.000 0.873 1046 V CB 2.018 33.844 31.823 0.005 0.000 0.992 1046 V HN 0.847 nan 8.190 nan 0.000 0.428 1047 T N 3.275 117.832 114.554 0.006 0.000 2.918 1047 T HA 0.414 4.764 4.350 -0.000 0.000 0.302 1047 T C 0.633 175.336 174.700 0.005 0.000 1.045 1047 T CA -0.259 61.844 62.100 0.006 0.000 1.114 1047 T CB 1.093 69.964 68.868 0.006 0.000 0.965 1047 T HN 0.796 nan 8.240 nan 0.000 0.540 1048 R N 0.412 120.915 120.500 0.005 0.000 2.312 1048 R HA 0.228 4.568 4.340 -0.000 0.000 0.205 1048 R C 0.653 176.956 176.300 0.004 0.000 0.904 1048 R CA 0.157 56.260 56.100 0.005 0.000 1.052 1048 R CB 0.257 30.560 30.300 0.005 0.000 1.014 1048 R HN 0.927 nan 8.270 nan 0.000 0.503 1049 E N -1.572 118.631 120.200 0.004 0.000 2.433 1049 E HA 0.610 4.960 4.350 -0.000 0.000 0.278 1049 E C -1.389 175.212 176.600 0.003 0.000 0.976 1049 E CA -1.244 55.158 56.400 0.003 0.000 0.793 1049 E CB 1.145 30.848 29.700 0.004 0.000 1.311 1049 E HN -0.068 nan 8.360 nan 0.000 0.460 1050 A N 0.354 123.174 122.820 0.001 0.000 2.371 1050 A HA 0.768 5.088 4.320 -0.000 0.000 0.257 1050 A C 0.399 177.983 177.584 -0.000 0.000 1.089 1050 A CA 0.635 52.672 52.037 0.000 0.000 0.794 1050 A CB 0.541 19.540 19.000 -0.002 0.000 1.029 1050 A HN 0.926 nan 8.150 nan 0.000 0.488 1051 G N -1.112 107.688 108.800 -0.001 0.000 2.325 1051 G HA2 0.480 4.440 3.960 -0.000 0.000 0.295 1051 G HA3 0.480 4.440 3.960 -0.000 0.000 0.295 1051 G C -1.645 173.253 174.900 -0.003 0.000 1.274 1051 G CA -0.082 45.017 45.100 -0.002 0.000 0.857 1051 G HN 1.164 nan 8.290 nan 0.000 0.499 1052 V N 0.510 120.420 119.914 -0.006 0.000 2.417 1052 V HA 0.608 4.728 4.120 -0.000 0.000 0.291 1052 V C 0.498 176.586 176.094 -0.010 0.000 1.024 1052 V CA -0.730 61.564 62.300 -0.010 0.000 0.861 1052 V CB 1.162 32.975 31.823 -0.017 0.000 0.985 1052 V HN 0.955 nan 8.190 nan 0.000 0.436 1053 V N 5.145 125.056 119.914 -0.004 0.000 2.732 1053 V HA 0.889 5.009 4.120 -0.000 0.000 0.297 1053 V C 0.245 176.343 176.094 0.007 0.000 1.060 1053 V CA 0.445 62.748 62.300 0.005 0.000 1.038 1053 V CB 1.255 33.086 31.823 0.013 0.000 1.003 1053 V HN 1.259 nan 8.190 nan 0.000 0.481 1054 A N 4.018 126.853 122.820 0.026 0.000 2.594 1054 A HA 0.722 5.042 4.320 -0.000 0.000 0.296 1054 A C 0.426 178.078 177.584 0.113 0.000 1.061 1054 A CA 0.032 52.106 52.037 0.061 0.000 0.689 1054 A CB 1.204 20.201 19.000 -0.006 0.000 1.280 1054 A HN 2.415 nan 8.150 nan 0.000 0.406 1055 G N -0.061 108.861 108.800 0.203 0.000 2.141 1055 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.242 1055 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.242 1055 G C 0.631 175.564 174.900 0.054 0.000 0.982 1055 G CA 0.467 45.644 45.100 0.128 0.000 0.662 1055 G HN 1.206 nan 8.290 nan 0.000 0.527 1056 L N 1.172 122.429 121.223 0.056 0.000 2.127 1056 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 1056 L C 2.379 179.253 176.870 0.006 0.000 1.089 1056 L CA 2.471 57.327 54.840 0.027 0.000 0.757 1056 L CB -0.554 41.526 42.059 0.034 0.000 0.899 1056 L HN 0.332 nan 8.230 nan 0.000 0.434 1057 D N -1.036 119.365 120.400 0.000 0.000 2.144 1057 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 1057 D C 2.310 178.585 176.300 -0.041 0.000 0.984 1057 D CA 1.089 55.075 54.000 -0.023 0.000 0.834 1057 D CB -0.100 40.668 40.800 -0.054 0.000 0.955 1057 D HN 0.199 nan 8.370 nan 0.000 0.465 1058 V N 1.480 121.364 119.914 -0.050 0.000 2.594 1058 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 1058 V C 2.520 178.583 176.094 -0.051 0.000 1.069 1058 V CA 1.584 63.850 62.300 -0.056 0.000 1.082 1058 V CB -0.776 31.018 31.823 -0.049 0.000 0.680 1058 V HN 0.171 nan 8.190 nan 0.000 0.469 1059 A N 0.008 122.800 122.820 -0.045 0.000 1.873 1059 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 1059 A C 2.082 179.600 177.584 -0.110 0.000 1.186 1059 A CA 1.378 53.375 52.037 -0.067 0.000 0.616 1059 A CB -0.483 18.486 19.000 -0.052 0.000 0.823 1059 A HN 0.379 nan 8.150 nan 0.000 0.442 1060 L N -0.116 121.055 121.223 -0.087 0.000 2.079 1060 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 1060 L C 2.420 179.241 176.870 -0.082 0.000 1.081 1060 L CA 1.369 56.148 54.840 -0.101 0.000 0.752 1060 L CB -1.369 40.705 42.059 0.026 0.000 0.896 1060 L HN 0.375 nan 8.230 nan 0.000 0.433 1061 L N -1.250 119.943 121.223 -0.051 0.000 2.201 1061 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 1061 L C 2.237 179.076 176.870 -0.052 0.000 1.105 1061 L CA 1.012 55.830 54.840 -0.036 0.000 0.775 1061 L CB -0.701 41.333 42.059 -0.042 0.000 0.913 1061 L HN 0.273 nan 8.230 nan 0.000 0.440 1062 T N -0.220 114.286 114.554 -0.080 0.000 2.904 1062 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 1062 T C 1.857 176.496 174.700 -0.103 0.000 1.059 1062 T CA 0.675 62.727 62.100 -0.079 0.000 1.137 1062 T CB 0.031 68.852 68.868 -0.079 0.000 0.879 1062 T HN 0.019 nan 8.240 nan 0.000 0.467 1063 L N 1.964 123.071 121.223 -0.192 0.000 2.044 1063 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 1063 L C 2.236 179.056 176.870 -0.085 0.000 1.075 1063 L CA 1.385 56.052 54.840 -0.288 0.000 0.747 1063 L CB -1.402 40.160 42.059 -0.828 0.000 0.903 1063 L HN 0.171 nan 8.230 nan 0.000 0.435 1064 N N -0.091 118.617 118.700 0.013 0.000 2.061 1064 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 1064 N C 1.874 177.422 175.510 0.062 0.000 1.030 1064 N CA 1.269 54.398 53.050 0.132 0.000 0.856 1064 N CB -0.125 38.423 38.487 0.101 0.000 1.023 1064 N HN 0.304 nan 8.380 nan 0.000 0.424 1065 E N 0.329 120.539 120.200 0.016 0.000 2.106 1065 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 1065 E C 1.758 178.362 176.600 0.007 0.000 0.984 1065 E CA 0.676 57.079 56.400 0.006 0.000 0.806 1065 E CB 0.039 29.733 29.700 -0.011 0.000 0.750 1065 E HN 0.130 nan 8.360 nan 0.000 0.458 1066 V N -0.258 119.655 119.914 -0.002 0.000 2.500 1066 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 1066 V C 2.011 178.119 176.094 0.023 0.000 1.039 1066 V CA 1.085 63.386 62.300 0.001 0.000 1.053 1066 V CB -0.133 31.680 31.823 -0.017 0.000 0.695 1066 V HN 0.224 nan 8.190 nan 0.000 0.463 1067 L N -0.213 121.040 121.223 0.049 0.000 2.638 1067 L HA 0.559 4.899 4.340 -0.000 0.000 0.232 1067 L C 0.996 177.935 176.870 0.114 0.000 1.099 1067 L CA 0.632 55.529 54.840 0.094 0.000 0.883 1067 L CB 0.144 42.298 42.059 0.158 0.000 1.136 1067 L HN 0.500 nan 8.230 nan 0.000 0.492 1068 G N -0.112 108.757 108.800 0.114 0.000 2.719 1068 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.686 1068 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.686 1068 G C 0.423 175.400 174.900 0.127 0.000 1.201 1068 G CA -0.258 44.896 45.100 0.090 0.000 0.768 1068 G HN 0.010 nan 8.290 nan 0.000 0.629 1069 T N 0.648 115.247 114.554 0.074 0.000 2.760 1069 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 1069 T C 1.590 176.200 174.700 -0.150 0.000 1.047 1069 T CA 1.861 63.978 62.100 0.028 0.000 1.139 1069 T CB -0.146 68.723 68.868 0.001 0.000 0.855 1069 T HN 0.593 nan 8.240 nan 0.000 0.471 1070 N N 0.460 119.090 118.700 -0.117 0.000 2.328 1070 N HA 0.223 4.963 4.740 -0.000 0.000 0.247 1070 N C 1.267 176.696 175.510 -0.135 0.000 1.165 1070 N CA 0.036 52.974 53.050 -0.186 0.000 0.873 1070 N CB 0.778 39.202 38.487 -0.104 0.000 1.125 1070 N HN 0.444 nan 8.380 nan 0.000 0.513 1071 G N -0.013 108.757 108.800 -0.050 0.000 3.042 1071 G HA2 0.063 4.023 3.960 -0.000 0.000 0.212 1071 G HA3 0.063 4.023 3.960 -0.000 0.000 0.212 1071 G C 0.026 175.027 174.900 0.168 0.000 1.166 1071 G CA 0.368 45.523 45.100 0.093 0.000 0.767 1071 G HN 0.356 nan 8.290 nan 0.000 0.546 1072 Y N -2.435 117.864 120.300 -0.002 0.000 2.689 1072 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 1072 Y C -0.907 174.993 175.900 -0.001 0.000 1.208 1072 Y CA -2.421 55.679 58.100 -0.001 0.000 1.055 1072 Y CB 1.076 39.535 38.460 -0.001 0.000 1.304 1072 Y HN -0.082 nan 8.280 nan 0.000 0.455 1073 R N 1.415 121.960 120.500 0.075 0.000 2.532 1073 R HA 0.731 5.071 4.340 -0.000 0.000 0.297 1073 R C -2.179 174.193 176.300 0.121 0.000 0.984 1073 R CA -0.871 55.233 56.100 0.007 0.000 0.884 1073 R CB 2.082 32.378 30.300 -0.006 0.000 1.182 1073 R HN 0.738 nan 8.270 nan 0.000 0.442 1074 V N 6.873 126.852 119.914 0.108 0.000 2.389 1074 V HA 0.100 4.220 4.120 -0.000 0.000 0.264 1074 V C 0.770 176.899 176.094 0.057 0.000 1.049 1074 V CA -0.314 62.054 62.300 0.113 0.000 0.932 1074 V CB 1.109 33.005 31.823 0.123 0.000 1.011 1074 V HN 0.778 nan 8.190 nan 0.000 0.475 1075 L N 2.960 124.213 121.223 0.050 0.000 2.209 1075 L HA 0.288 4.628 4.340 -0.000 0.000 0.207 1075 L C 0.694 177.580 176.870 0.028 0.000 1.094 1075 L CA 1.230 56.089 54.840 0.032 0.000 0.790 1075 L CB -0.509 41.567 42.059 0.028 0.000 0.932 1075 L HN 0.786 nan 8.230 nan 0.000 0.447 1076 D N -1.627 118.792 120.400 0.032 0.000 2.683 1076 D HA 0.518 5.158 4.640 -0.000 0.000 0.246 1076 D C -1.033 175.284 176.300 0.028 0.000 1.238 1076 D CA -0.603 53.413 54.000 0.026 0.000 0.759 1076 D CB 1.406 42.218 40.800 0.020 0.000 1.349 1076 D HN 0.085 nan 8.370 nan 0.000 0.426 1077 R N 0.156 120.671 120.500 0.025 0.000 2.709 1077 R HA 0.723 5.063 4.340 -0.000 0.000 0.270 1077 R C -1.851 174.462 176.300 0.022 0.000 1.038 1077 R CA -0.948 55.168 56.100 0.025 0.000 0.872 1077 R CB 0.618 30.937 30.300 0.031 0.000 1.259 1077 R HN 0.151 nan 8.270 nan 0.000 0.473 1078 V N 1.067 120.994 119.914 0.022 0.000 2.973 1078 V HA 0.341 4.461 4.120 -0.000 0.000 0.314 1078 V C -0.160 175.949 176.094 0.025 0.000 1.066 1078 V CA -0.638 61.674 62.300 0.020 0.000 1.021 1078 V CB 1.846 33.679 31.823 0.017 0.000 1.076 1078 V HN 0.694 nan 8.190 nan 0.000 0.462 1079 E N 1.348 121.563 120.200 0.024 0.000 2.277 1079 E HA 0.282 4.632 4.350 -0.000 0.000 0.274 1079 E C -0.900 175.720 176.600 0.034 0.000 1.022 1079 E CA -0.636 55.783 56.400 0.031 0.000 0.853 1079 E CB 0.877 30.593 29.700 0.028 0.000 1.086 1079 E HN 0.541 nan 8.360 nan 0.000 0.397 1080 D N 0.121 120.551 120.400 0.051 0.000 2.488 1080 D HA 0.251 4.891 4.640 -0.000 0.000 0.238 1080 D C 1.190 177.502 176.300 0.020 0.000 1.138 1080 D CA 1.545 55.578 54.000 0.055 0.000 0.873 1080 D CB 0.631 41.504 40.800 0.121 0.000 1.183 1080 D HN 0.647 nan 8.370 nan 0.000 0.458 1081 G N 1.041 109.838 108.800 -0.005 0.000 2.213 1081 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.226 1081 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.226 1081 G C 0.464 175.358 174.900 -0.010 0.000 0.992 1081 G CA 0.160 45.247 45.100 -0.022 0.000 0.632 1081 G HN 0.844 nan 8.290 nan 0.000 0.511 1082 A N 1.151 123.971 122.820 0.000 0.000 2.440 1082 A HA 0.633 4.952 4.320 -0.000 0.000 0.251 1082 A C 0.784 178.368 177.584 -0.000 0.000 1.089 1082 A CA -0.004 52.035 52.037 0.002 0.000 0.779 1082 A CB 0.276 19.281 19.000 0.008 0.000 1.022 1082 A HN 0.375 nan 8.150 nan 0.000 0.492 1083 R N 1.547 122.046 120.500 -0.001 0.000 2.340 1083 R HA 0.455 4.794 4.340 -0.000 0.000 0.300 1083 R C -0.866 175.434 176.300 0.001 0.000 1.069 1083 R CA -0.304 55.795 56.100 -0.001 0.000 0.984 1083 R CB 0.799 31.098 30.300 -0.002 0.000 1.003 1083 R HN 0.396 nan 8.270 nan 0.000 0.459 1084 V N 5.444 125.359 119.914 0.001 0.000 2.789 1084 V HA 0.435 4.555 4.120 -0.000 0.000 0.311 1084 V C -2.039 174.055 176.094 0.002 0.000 1.073 1084 V CA -1.930 60.371 62.300 0.002 0.000 0.921 1084 V CB 2.887 34.712 31.823 0.004 0.000 1.009 1084 V HN 0.685 nan 8.190 nan 0.000 0.426 1085 P HA 0.403 nan 4.420 nan 0.000 0.281 1085 P C -2.520 174.781 177.300 0.002 0.000 1.264 1085 P CA -1.806 61.295 63.100 0.001 0.000 0.824 1085 P CB 1.283 32.983 31.700 0.001 0.000 1.092 1086 P HA -0.189 nan 4.420 nan 0.000 0.214 1086 P C 1.303 178.605 177.300 0.003 0.000 1.164 1086 P CA 2.336 65.437 63.100 0.002 0.000 0.942 1086 P CB -0.593 31.108 31.700 0.002 0.000 0.791 1087 G N -0.982 107.820 108.800 0.003 0.000 3.424 1087 G HA2 0.028 3.988 3.960 -0.000 0.000 0.263 1087 G HA3 0.028 3.988 3.960 -0.000 0.000 0.263 1087 G C -0.029 174.873 174.900 0.004 0.000 1.310 1087 G CA -0.096 45.007 45.100 0.004 0.000 1.089 1087 G HN 0.178 nan 8.290 nan 0.000 0.534 1088 E N 1.074 121.277 120.200 0.005 0.000 2.376 1088 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 1088 E C 0.376 176.980 176.600 0.006 0.000 1.009 1088 E CA -0.207 56.197 56.400 0.005 0.000 0.902 1088 E CB 0.825 30.529 29.700 0.006 0.000 0.972 1088 E HN 0.166 nan 8.360 nan 0.000 0.439 1089 A N 5.996 128.821 122.820 0.007 0.000 2.343 1089 A HA 0.228 4.548 4.320 -0.000 0.000 0.305 1089 A C 0.810 178.400 177.584 0.010 0.000 1.308 1089 A CA -0.340 51.702 52.037 0.008 0.000 0.949 1089 A CB -0.111 18.894 19.000 0.009 0.000 1.148 1089 A HN 0.859 nan 8.150 nan 0.000 0.545 1090 L N 1.741 122.970 121.223 0.010 0.000 2.156 1090 L HA 0.125 4.465 4.340 -0.000 0.000 0.208 1090 L C 1.039 177.918 176.870 0.014 0.000 1.095 1090 L CA 0.911 55.758 54.840 0.012 0.000 0.770 1090 L CB -0.222 41.844 42.059 0.011 0.000 0.914 1090 L HN 0.775 nan 8.230 nan 0.000 0.439 1091 M N -1.040 118.568 119.600 0.012 0.000 2.414 1091 M HA 0.319 4.799 4.480 -0.000 0.000 0.287 1091 M C -1.702 174.608 176.300 0.016 0.000 1.181 1091 M CA -0.186 55.124 55.300 0.016 0.000 0.933 1091 M CB 2.516 35.123 32.600 0.013 0.000 1.732 1091 M HN -0.290 nan 8.290 nan 0.000 0.486 1092 T N 5.396 119.964 114.554 0.023 0.000 2.841 1092 T HA 0.782 5.132 4.350 -0.000 0.000 0.285 1092 T C -1.262 173.461 174.700 0.038 0.000 0.991 1092 T CA -0.604 61.511 62.100 0.024 0.000 0.966 1092 T CB 1.169 70.050 68.868 0.022 0.000 0.962 1092 T HN 0.554 nan 8.240 nan 0.000 0.438 1093 L N 0.277 121.525 121.223 0.041 0.000 2.409 1093 L HA 0.811 5.151 4.340 -0.000 0.000 0.255 1093 L C -0.593 176.315 176.870 0.064 0.000 1.027 1093 L CA -1.106 53.776 54.840 0.070 0.000 0.834 1093 L CB 1.671 43.790 42.059 0.099 0.000 1.426 1093 L HN 0.524 nan 8.230 nan 0.000 0.411 1094 E N 0.484 120.734 120.200 0.084 0.000 2.158 1094 E HA 0.846 5.196 4.350 -0.000 0.000 0.271 1094 E C -1.291 175.369 176.600 0.100 0.000 0.911 1094 E CA -0.613 55.827 56.400 0.067 0.000 0.767 1094 E CB 1.744 31.472 29.700 0.047 0.000 1.120 1094 E HN 1.020 nan 8.360 nan 0.000 0.405 1095 A N 3.827 126.695 122.820 0.080 0.000 2.581 1095 A HA 0.274 4.594 4.320 -0.000 0.000 0.290 1095 A C -1.280 176.338 177.584 0.058 0.000 1.119 1095 A CA -0.758 51.338 52.037 0.098 0.000 0.670 1095 A CB 1.472 20.542 19.000 0.115 0.000 1.280 1095 A HN 0.633 nan 8.150 nan 0.000 0.425 1096 Q N 0.145 119.978 119.800 0.056 0.000 2.311 1096 Q HA 0.211 4.551 4.340 -0.000 0.000 0.272 1096 Q C 0.446 176.461 176.000 0.025 0.000 1.012 1096 Q CA 0.676 56.500 55.803 0.035 0.000 0.891 1096 Q CB 0.647 29.405 28.738 0.034 0.000 1.201 1096 Q HN 0.778 nan 8.270 nan 0.000 0.391 1097 T N 4.298 118.863 114.554 0.018 0.000 2.720 1097 T HA -0.157 4.192 4.350 -0.000 0.000 0.268 1097 T C 1.512 176.217 174.700 0.008 0.000 1.037 1097 T CA 1.453 63.560 62.100 0.012 0.000 1.144 1097 T CB -0.013 68.861 68.868 0.010 0.000 0.864 1097 T HN 0.594 nan 8.240 nan 0.000 0.444 1098 R N 0.479 120.985 120.500 0.010 0.000 2.081 1098 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 1098 R C 2.927 179.230 176.300 0.005 0.000 1.131 1098 R CA 1.292 57.396 56.100 0.007 0.000 0.960 1098 R CB -0.685 29.620 30.300 0.009 0.000 0.856 1098 R HN 0.462 nan 8.270 nan 0.000 0.436 1099 G N 0.966 109.770 108.800 0.007 0.000 2.402 1099 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 1099 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 1099 G C 1.433 176.326 174.900 -0.012 0.000 1.162 1099 G CA 0.365 45.466 45.100 0.003 0.000 0.777 1099 G HN 0.120 nan 8.290 nan 0.000 0.539 1100 L N -0.342 120.874 121.223 -0.012 0.000 2.046 1100 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 1100 L C 2.756 179.614 176.870 -0.021 0.000 1.077 1100 L CA 0.355 55.180 54.840 -0.025 0.000 0.747 1100 L CB -0.350 41.699 42.059 -0.016 0.000 0.896 1100 L HN 0.127 nan 8.230 nan 0.000 0.432 1101 L N -0.715 120.501 121.223 -0.010 0.000 2.083 1101 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 1101 L C 2.542 179.408 176.870 -0.007 0.000 1.083 1101 L CA 1.863 56.699 54.840 -0.007 0.000 0.752 1101 L CB -1.252 40.806 42.059 -0.002 0.000 0.899 1101 L HN 0.201 nan 8.230 nan 0.000 0.433 1102 T N -0.931 113.619 114.554 -0.007 0.000 2.942 1102 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 1102 T C 1.873 176.565 174.700 -0.012 0.000 1.062 1102 T CA 1.041 63.138 62.100 -0.005 0.000 1.139 1102 T CB -0.057 68.809 68.868 -0.002 0.000 0.883 1102 T HN 0.379 nan 8.240 nan 0.000 0.468 1103 A N 1.163 123.969 122.820 -0.023 0.000 1.970 1103 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 1103 A C 2.067 179.630 177.584 -0.035 0.000 1.170 1103 A CA 1.426 53.441 52.037 -0.036 0.000 0.645 1103 A CB -0.489 18.475 19.000 -0.060 0.000 0.816 1103 A HN 0.579 nan 8.150 nan 0.000 0.447 1104 E N -0.151 120.031 120.200 -0.029 0.000 2.082 1104 E HA -0.365 3.984 4.350 -0.000 0.000 0.215 1104 E C 2.243 178.832 176.600 -0.018 0.000 1.048 1104 E CA 2.048 58.434 56.400 -0.024 0.000 0.869 1104 E CB -0.161 29.529 29.700 -0.016 0.000 0.773 1104 E HN 0.370 nan 8.360 nan 0.000 0.466 1105 R N 0.149 120.641 120.500 -0.012 0.000 2.081 1105 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 1105 R C 2.308 178.601 176.300 -0.011 0.000 1.131 1105 R CA 2.320 58.414 56.100 -0.009 0.000 0.960 1105 R CB -1.137 29.160 30.300 -0.005 0.000 0.856 1105 R HN 0.264 nan 8.270 nan 0.000 0.436 1106 T N 0.935 115.480 114.554 -0.015 0.000 2.708 1106 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 1106 T C 1.775 176.462 174.700 -0.023 0.000 1.037 1106 T CA 1.694 63.782 62.100 -0.020 0.000 1.146 1106 T CB -0.252 68.602 68.868 -0.023 0.000 0.865 1106 T HN 0.321 nan 8.240 nan 0.000 0.435 1107 M N 0.427 120.010 119.600 -0.028 0.000 2.067 1107 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 1107 M C 1.853 178.143 176.300 -0.015 0.000 1.069 1107 M CA 1.618 56.900 55.300 -0.031 0.000 1.117 1107 M CB -0.223 32.349 32.600 -0.047 0.000 1.334 1107 M HN 0.119 nan 8.290 nan 0.000 0.407 1108 L N 1.242 122.459 121.223 -0.011 0.000 2.083 1108 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 1108 L C 2.142 179.019 176.870 0.012 0.000 1.083 1108 L CA 1.650 56.490 54.840 0.000 0.000 0.752 1108 L CB -1.665 40.393 42.059 -0.001 0.000 0.899 1108 L HN 0.387 nan 8.230 nan 0.000 0.433 1109 N N -0.821 117.883 118.700 0.006 0.000 2.120 1109 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 1109 N C 1.773 177.299 175.510 0.028 0.000 1.024 1109 N CA 0.923 53.979 53.050 0.010 0.000 0.852 1109 N CB -0.333 38.147 38.487 -0.011 0.000 1.003 1109 N HN 0.129 nan 8.380 nan 0.000 0.424 1110 L N 0.822 122.055 121.223 0.017 0.000 2.044 1110 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 1110 L C 2.308 179.221 176.870 0.072 0.000 1.075 1110 L CA 1.136 55.997 54.840 0.035 0.000 0.747 1110 L CB -1.089 40.971 42.059 0.002 0.000 0.903 1110 L HN 0.129 nan 8.230 nan 0.000 0.435 1111 V N -2.050 117.892 119.914 0.045 0.000 2.667 1111 V HA 0.030 4.150 4.120 -0.000 0.000 0.252 1111 V C 2.217 178.344 176.094 0.054 0.000 1.065 1111 V CA 1.521 63.850 62.300 0.048 0.000 1.083 1111 V CB -1.201 30.638 31.823 0.028 0.000 0.692 1111 V HN 0.366 nan 8.190 nan 0.000 0.468 1112 G N -0.561 108.274 108.800 0.058 0.000 2.418 1112 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 1112 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 1112 G C 1.430 176.379 174.900 0.081 0.000 1.158 1112 G CA 1.211 46.345 45.100 0.057 0.000 0.771 1112 G HN 0.728 nan 8.290 nan 0.000 0.545 1113 H N 0.543 119.617 119.070 0.008 0.000 2.299 1113 H HA 0.108 4.664 4.556 -0.000 0.000 0.302 1113 H C 2.578 177.913 175.328 0.011 0.000 1.078 1113 H CA 1.432 57.485 56.048 0.009 0.000 1.323 1113 H CB -0.317 29.449 29.762 0.007 0.000 1.381 1113 H HN 0.229 nan 8.280 nan 0.000 0.498 1114 L N -0.574 120.686 121.223 0.062 0.000 2.079 1114 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 1114 L C 2.544 179.390 176.870 -0.040 0.000 1.081 1114 L CA 1.419 56.260 54.840 0.002 0.000 0.752 1114 L CB -0.464 41.651 42.059 0.095 0.000 0.896 1114 L HN 0.277 nan 8.230 nan 0.000 0.433 1115 S N 0.021 115.713 115.700 -0.013 0.000 2.371 1115 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 1115 S C 2.076 176.651 174.600 -0.042 0.000 1.029 1115 S CA 1.053 59.242 58.200 -0.019 0.000 0.978 1115 S CB -0.476 62.726 63.200 0.002 0.000 0.833 1115 S HN 0.594 nan 8.310 nan 0.000 0.466 1116 G N 1.880 110.646 108.800 -0.056 0.000 2.469 1116 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 1116 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 1116 G C 1.323 176.166 174.900 -0.094 0.000 1.150 1116 G CA 0.816 45.877 45.100 -0.066 0.000 0.763 1116 G HN 0.483 nan 8.290 nan 0.000 0.561 1117 I N 1.162 121.637 120.570 -0.160 0.000 2.202 1117 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 1117 I C 3.309 179.371 176.117 -0.092 0.000 1.091 1117 I CA 0.918 62.128 61.300 -0.151 0.000 1.368 1117 I CB -0.277 37.600 38.000 -0.204 0.000 1.058 1117 I HN 0.246 nan 8.210 nan 0.000 0.410 1118 A N 0.419 123.186 122.820 -0.087 0.000 1.908 1118 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 1118 A C 2.377 179.941 177.584 -0.034 0.000 1.181 1118 A CA 2.487 54.480 52.037 -0.073 0.000 0.627 1118 A CB -1.116 17.836 19.000 -0.081 0.000 0.818 1118 A HN 0.383 nan 8.150 nan 0.000 0.445 1119 T N 0.253 114.793 114.554 -0.024 0.000 2.684 1119 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 1119 T C 2.228 176.944 174.700 0.027 0.000 1.036 1119 T CA 1.773 63.872 62.100 -0.002 0.000 1.148 1119 T CB -0.465 68.400 68.868 -0.005 0.000 0.863 1119 T HN 0.611 nan 8.240 nan 0.000 0.436 1120 A N 1.245 124.088 122.820 0.040 0.000 1.898 1120 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 1120 A C 2.610 180.326 177.584 0.221 0.000 1.181 1120 A CA 2.276 54.385 52.037 0.121 0.000 0.620 1120 A CB -1.230 17.834 19.000 0.107 0.000 0.819 1120 A HN 0.585 nan 8.150 nan 0.000 0.442 1121 T N -1.662 112.957 114.554 0.108 0.000 2.904 1121 T HA 0.082 4.432 4.350 -0.000 0.000 0.267 1121 T C 1.904 176.687 174.700 0.139 0.000 1.059 1121 T CA 1.730 63.897 62.100 0.112 0.000 1.137 1121 T CB -0.472 68.384 68.868 -0.021 0.000 0.879 1121 T HN 0.549 nan 8.240 nan 0.000 0.467 1122 A N 1.301 124.166 122.820 0.076 0.000 1.972 1122 A HA 0.306 4.626 4.320 -0.000 0.000 0.219 1122 A C 2.785 180.410 177.584 0.067 0.000 1.169 1122 A CA 1.902 53.971 52.037 0.053 0.000 0.635 1122 A CB -1.315 17.696 19.000 0.019 0.000 0.810 1122 A HN 0.810 nan 8.150 nan 0.000 0.446 1123 A N -1.525 121.342 122.820 0.078 0.000 1.897 1123 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 1123 A C 1.928 179.507 177.584 -0.008 0.000 1.181 1123 A CA 1.220 53.259 52.037 0.005 0.000 0.620 1123 A CB -0.787 18.186 19.000 -0.045 0.000 0.821 1123 A HN 0.710 nan 8.150 nan 0.000 0.443 1124 W N -0.169 121.118 121.300 -0.022 0.000 2.381 1124 W HA -0.107 4.553 4.660 0.000 0.000 0.301 1124 W C 2.307 178.819 176.519 -0.012 0.000 1.205 1124 W CA 1.465 58.800 57.345 -0.017 0.000 1.285 1124 W CB -0.581 28.863 29.460 -0.026 0.000 1.133 1124 W HN 0.117 nan 8.180 nan 0.000 0.521 1125 V N 0.493 120.542 119.914 0.224 0.000 2.332 1125 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 1125 V C 1.752 177.890 176.094 0.073 0.000 1.055 1125 V CA 2.250 64.624 62.300 0.124 0.000 1.038 1125 V CB -0.872 30.999 31.823 0.081 0.000 0.651 1125 V HN 0.059 nan 8.190 nan 0.000 0.450 1126 D N 0.298 120.726 120.400 0.046 0.000 2.178 1126 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 1126 D C 2.197 178.500 176.300 0.004 0.000 0.980 1126 D CA 1.493 55.502 54.000 0.015 0.000 0.842 1126 D CB -0.344 40.454 40.800 -0.004 0.000 0.948 1126 D HN 0.446 nan 8.370 nan 0.000 0.472 1127 A N 0.562 123.378 122.820 -0.006 0.000 1.902 1127 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 1127 A C 2.105 179.698 177.584 0.015 0.000 1.181 1127 A CA 1.719 53.739 52.037 -0.030 0.000 0.623 1127 A CB -0.496 18.440 19.000 -0.106 0.000 0.818 1127 A HN 0.250 nan 8.150 nan 0.000 0.443 1128 V N -1.024 118.923 119.914 0.055 0.000 3.421 1128 V HA 0.220 4.340 4.120 -0.000 0.000 0.316 1128 V C 0.616 176.733 176.094 0.038 0.000 1.347 1128 V CA -0.008 62.328 62.300 0.060 0.000 1.183 1128 V CB -1.611 30.269 31.823 0.094 0.000 1.092 1128 V HN 0.614 nan 8.190 nan 0.000 0.433 1129 R N 0.359 120.875 120.500 0.027 0.000 2.594 1129 R HA 0.591 4.931 4.340 -0.000 0.000 0.272 1129 R C 0.998 177.305 176.300 0.011 0.000 1.074 1129 R CA 0.425 56.535 56.100 0.017 0.000 1.105 1129 R CB 0.315 30.623 30.300 0.013 0.000 1.008 1129 R HN 0.801 nan 8.270 nan 0.000 0.472 1130 G N 0.563 109.367 108.800 0.007 0.000 2.141 1130 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 1130 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 1130 G C -0.080 174.822 174.900 0.002 0.000 0.982 1130 G CA 0.339 45.441 45.100 0.003 0.000 0.662 1130 G HN 0.776 nan 8.290 nan 0.000 0.527 1131 T N -0.825 113.731 114.554 0.003 0.000 2.916 1131 T HA 0.563 4.913 4.350 -0.000 0.000 0.292 1131 T C 1.368 176.060 174.700 -0.013 0.000 1.064 1131 T CA -0.024 62.076 62.100 -0.001 0.000 1.011 1131 T CB 1.482 70.358 68.868 0.012 0.000 1.152 1131 T HN 0.358 nan 8.240 nan 0.000 0.510 1132 K N 0.672 121.054 120.400 -0.031 0.000 2.400 1132 K HA 0.431 4.750 4.320 -0.000 0.000 0.194 1132 K C 0.855 177.404 176.600 -0.085 0.000 1.033 1132 K CA -0.076 56.178 56.287 -0.055 0.000 1.021 1132 K CB 0.171 32.629 32.500 -0.071 0.000 0.808 1132 K HN 0.469 nan 8.250 nan 0.000 0.505 1133 A N 2.033 124.811 122.820 -0.069 0.000 2.531 1133 A HA 0.114 4.434 4.320 -0.000 0.000 0.236 1133 A C -0.726 176.841 177.584 -0.028 0.000 1.062 1133 A CA 0.163 52.152 52.037 -0.079 0.000 0.760 1133 A CB 0.088 19.079 19.000 -0.014 0.000 0.995 1133 A HN 0.368 nan 8.150 nan 0.000 0.501 1134 K N 1.553 121.949 120.400 -0.007 0.000 2.259 1134 K HA 0.529 4.849 4.320 -0.000 0.000 0.252 1134 K C -0.673 176.015 176.600 0.147 0.000 0.936 1134 K CA -0.500 55.852 56.287 0.108 0.000 0.810 1134 K CB 1.731 34.363 32.500 0.221 0.000 1.143 1134 K HN 0.531 nan 8.250 nan 0.000 0.427 1135 I N 3.434 124.052 120.570 0.080 0.000 2.371 1135 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 1135 I C 0.337 176.426 176.117 -0.047 0.000 1.028 1135 I CA -0.148 61.156 61.300 0.006 0.000 1.345 1135 I CB 0.505 38.506 38.000 0.002 0.000 1.407 1135 I HN 0.465 nan 8.210 nan 0.000 0.501 1136 R N 3.947 124.379 120.500 -0.113 0.000 2.832 1136 R HA 0.427 4.767 4.340 -0.000 0.000 0.271 1136 R C -0.754 175.444 176.300 -0.169 0.000 0.996 1136 R CA -0.833 55.175 56.100 -0.154 0.000 0.977 1136 R CB 2.145 32.288 30.300 -0.262 0.000 1.168 1136 R HN 0.596 nan 8.270 nan 0.000 0.482 1137 D N -0.471 119.860 120.400 -0.114 0.000 2.529 1137 D HA 0.356 4.996 4.640 -0.000 0.000 0.273 1137 D C 0.148 176.422 176.300 -0.044 0.000 1.197 1137 D CA -0.395 53.541 54.000 -0.108 0.000 1.070 1137 D CB 0.632 41.381 40.800 -0.085 0.000 1.134 1137 D HN 0.517 nan 8.370 nan 0.000 0.590 1138 T N -4.459 110.069 114.554 -0.045 0.000 2.742 1138 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 1138 T C 0.401 175.097 174.700 -0.007 0.000 1.025 1138 T CA -1.034 61.061 62.100 -0.009 0.000 1.020 1138 T CB 1.303 70.162 68.868 -0.014 0.000 1.317 1138 T HN 0.308 nan 8.240 nan 0.000 0.538 1139 R N 0.117 120.614 120.500 -0.004 0.000 2.335 1139 R HA 0.175 4.515 4.340 -0.000 0.000 0.223 1139 R C 0.221 176.540 176.300 0.030 0.000 0.940 1139 R CA -0.050 56.053 56.100 0.006 0.000 1.086 1139 R CB 0.008 30.303 30.300 -0.009 0.000 1.073 1139 R HN 0.424 nan 8.270 nan 0.000 0.504 1140 K N 2.157 122.585 120.400 0.047 0.000 2.278 1140 K HA 0.037 4.357 4.320 -0.000 0.000 0.237 1140 K C 0.017 176.671 176.600 0.090 0.000 1.229 1140 K CA 0.168 56.513 56.287 0.096 0.000 1.155 1140 K CB 0.245 32.873 32.500 0.213 0.000 1.590 1140 K HN 0.105 nan 8.250 nan 0.000 0.290 1141 T N -2.069 112.526 114.554 0.069 0.000 2.940 1141 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 1141 T C -0.157 174.585 174.700 0.071 0.000 1.045 1141 T CA -1.152 60.990 62.100 0.070 0.000 1.018 1141 T CB 1.271 70.173 68.868 0.057 0.000 1.151 1141 T HN -0.052 nan 8.240 nan 0.000 0.529 1142 L N 2.788 124.055 121.223 0.074 0.000 2.326 1142 L HA 0.434 4.774 4.340 -0.000 0.000 0.278 1142 L C -1.976 174.914 176.870 0.033 0.000 1.092 1142 L CA -2.472 52.397 54.840 0.048 0.000 0.810 1142 L CB 0.400 42.477 42.059 0.030 0.000 1.153 1142 L HN 0.584 nan 8.230 nan 0.000 0.439 1143 P HA 0.086 nan 4.420 nan 0.000 0.260 1143 P C 0.741 178.050 177.300 0.015 0.000 1.185 1143 P CA 0.691 63.806 63.100 0.025 0.000 0.763 1143 P CB 0.657 32.369 31.700 0.019 0.000 0.776 1144 G N 3.003 111.818 108.800 0.026 0.000 2.217 1144 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.246 1144 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.246 1144 G C 0.505 175.392 174.900 -0.022 0.000 0.990 1144 G CA 0.130 45.235 45.100 0.009 0.000 0.627 1144 G HN 0.505 nan 8.290 nan 0.000 0.522 1145 L N 0.017 121.234 121.223 -0.010 0.000 2.906 1145 L HA 0.368 4.707 4.340 -0.000 0.000 0.255 1145 L C 2.321 179.191 176.870 -0.000 0.000 1.166 1145 L CA 0.275 55.104 54.840 -0.019 0.000 0.977 1145 L CB 0.114 42.171 42.059 -0.004 0.000 1.313 1145 L HN 0.262 nan 8.230 nan 0.000 0.549 1146 R N 1.596 122.108 120.500 0.020 0.000 2.097 1146 R HA -0.236 4.104 4.340 -0.000 0.000 0.236 1146 R C 2.310 178.622 176.300 0.021 0.000 1.135 1146 R CA 2.136 58.265 56.100 0.049 0.000 0.934 1146 R CB -0.217 30.147 30.300 0.106 0.000 0.846 1146 R HN 0.329 nan 8.270 nan 0.000 0.431 1147 A N 0.984 123.760 122.820 -0.074 0.000 1.917 1147 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 1147 A C 2.276 179.786 177.584 -0.122 0.000 1.182 1147 A CA 1.586 53.501 52.037 -0.204 0.000 0.633 1147 A CB -0.605 17.848 19.000 -0.912 0.000 0.819 1147 A HN 0.403 nan 8.150 nan 0.000 0.448 1148 L N -1.153 120.000 121.223 -0.115 0.000 2.027 1148 L HA -0.229 4.111 4.340 -0.000 0.000 0.206 1148 L C 2.937 179.869 176.870 0.103 0.000 1.074 1148 L CA 1.570 56.407 54.840 -0.003 0.000 0.745 1148 L CB -0.740 41.304 42.059 -0.025 0.000 0.898 1148 L HN 0.506 nan 8.230 nan 0.000 0.433 1149 Q N -0.043 119.799 119.800 0.069 0.000 2.084 1149 Q HA -0.247 4.092 4.340 -0.000 0.000 0.202 1149 Q C 2.222 178.238 176.000 0.026 0.000 0.978 1149 Q CA 1.448 57.283 55.803 0.052 0.000 0.844 1149 Q CB -0.046 28.729 28.738 0.061 0.000 0.898 1149 Q HN 0.220 nan 8.270 nan 0.000 0.426 1150 K N 0.222 120.649 120.400 0.045 0.000 2.057 1150 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 1150 K C 1.754 178.383 176.600 0.048 0.000 1.049 1150 K CA 1.144 57.456 56.287 0.042 0.000 0.931 1150 K CB -0.470 32.076 32.500 0.076 0.000 0.714 1150 K HN 0.256 nan 8.250 nan 0.000 0.440 1151 Y N 0.427 120.708 120.300 -0.031 0.000 2.145 1151 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 1151 Y C 1.911 177.794 175.900 -0.028 0.000 1.145 1151 Y CA 1.719 59.800 58.100 -0.030 0.000 1.148 1151 Y CB -0.647 37.783 38.460 -0.051 0.000 0.981 1151 Y HN 0.047 nan 8.280 nan 0.000 0.507 1152 A N 0.159 122.866 122.820 -0.187 0.000 1.933 1152 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 1152 A C 2.412 179.860 177.584 -0.227 0.000 1.175 1152 A CA 2.284 54.167 52.037 -0.257 0.000 0.628 1152 A CB -1.675 17.276 19.000 -0.081 0.000 0.814 1152 A HN 0.685 nan 8.150 nan 0.000 0.444 1153 V N -1.328 118.494 119.914 -0.153 0.000 2.515 1153 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 1153 V C 2.181 178.195 176.094 -0.134 0.000 1.058 1153 V CA 2.278 64.502 62.300 -0.127 0.000 1.064 1153 V CB -0.811 30.948 31.823 -0.107 0.000 0.675 1153 V HN 0.540 nan 8.190 nan 0.000 0.461 1154 R N -0.036 120.368 120.500 -0.160 0.000 2.096 1154 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 1154 R C 2.382 178.572 176.300 -0.184 0.000 1.127 1154 R CA 1.992 58.006 56.100 -0.142 0.000 0.968 1154 R CB -0.574 29.650 30.300 -0.127 0.000 0.861 1154 R HN 0.647 nan 8.270 nan 0.000 0.440 1155 T N -0.970 113.395 114.554 -0.314 0.000 2.915 1155 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 1155 T C 1.504 176.113 174.700 -0.152 0.000 1.071 1155 T CA 1.288 63.216 62.100 -0.286 0.000 1.132 1155 T CB -0.054 68.541 68.868 -0.455 0.000 0.878 1155 T HN 0.457 nan 8.240 nan 0.000 0.479 1156 G N -0.160 108.564 108.800 -0.128 0.000 2.985 1156 G HA2 0.392 4.352 3.960 -0.000 0.000 0.209 1156 G HA3 0.392 4.352 3.960 -0.000 0.000 0.209 1156 G C 1.111 175.988 174.900 -0.037 0.000 1.165 1156 G CA 0.347 45.407 45.100 -0.067 0.000 0.776 1156 G HN 0.720 nan 8.290 nan 0.000 0.541 1157 G N -1.524 107.248 108.800 -0.048 0.000 2.184 1157 G HA2 0.017 3.976 3.960 -0.000 0.000 0.206 1157 G HA3 0.017 3.976 3.960 -0.000 0.000 0.206 1157 G C 0.710 175.603 174.900 -0.012 0.000 0.995 1157 G CA 0.131 45.219 45.100 -0.020 0.000 0.651 1157 G HN 0.948 nan 8.290 nan 0.000 0.511 1158 G N -0.990 107.791 108.800 -0.031 0.000 2.588 1158 G HA2 0.714 4.674 3.960 -0.000 0.000 0.281 1158 G HA3 0.714 4.674 3.960 -0.000 0.000 0.281 1158 G C 0.074 174.956 174.900 -0.030 0.000 1.236 1158 G CA 0.207 45.288 45.100 -0.032 0.000 0.969 1158 G HN 1.580 nan 8.290 nan 0.000 0.504 1159 V N -0.612 119.284 119.914 -0.029 0.000 2.604 1159 V HA 0.548 4.668 4.120 -0.000 0.000 0.305 1159 V C -0.807 175.259 176.094 -0.047 0.000 1.043 1159 V CA -1.411 60.874 62.300 -0.025 0.000 0.888 1159 V CB 1.733 33.558 31.823 0.002 0.000 0.995 1159 V HN 0.581 nan 8.190 nan 0.000 0.429 1160 N N 3.789 122.477 118.700 -0.021 0.000 2.520 1160 N HA 0.282 5.022 4.740 -0.000 0.000 0.273 1160 N C 0.066 175.593 175.510 0.028 0.000 1.155 1160 N CA 0.050 53.101 53.050 0.002 0.000 0.967 1160 N CB 0.842 39.346 38.487 0.028 0.000 1.092 1160 N HN 1.020 nan 8.380 nan 0.000 0.457 1161 H N 1.913 120.921 119.070 -0.102 0.000 3.897 1161 H HA 0.293 4.849 4.556 -0.000 0.000 0.199 1161 H C 0.085 175.366 175.328 -0.078 0.000 1.454 1161 H CA -0.401 55.570 56.048 -0.128 0.000 1.734 1161 H CB 0.733 30.402 29.762 -0.155 0.000 1.492 1161 H HN 0.271 nan 8.280 nan 0.000 0.527 1162 R N 1.307 121.596 120.500 -0.351 0.000 2.441 1162 R HA 0.115 4.455 4.340 -0.000 0.000 0.284 1162 R C 0.875 177.107 176.300 -0.114 0.000 1.070 1162 R CA -0.124 55.796 56.100 -0.299 0.000 1.047 1162 R CB 1.086 31.131 30.300 -0.426 0.000 1.016 1162 R HN 0.532 nan 8.270 nan 0.000 0.477 1163 L N 0.774 121.958 121.223 -0.064 0.000 2.463 1163 L HA 0.224 4.564 4.340 -0.000 0.000 0.219 1163 L C 1.148 178.014 176.870 -0.006 0.000 1.088 1163 L CA 0.295 55.136 54.840 0.003 0.000 0.849 1163 L CB 0.340 42.416 42.059 0.029 0.000 1.012 1163 L HN 0.799 nan 8.230 nan 0.000 0.468 1164 G N -1.794 106.976 108.800 -0.050 0.000 2.634 1164 G HA2 0.301 4.261 3.960 -0.000 0.000 0.309 1164 G HA3 0.301 4.261 3.960 -0.000 0.000 0.309 1164 G C -0.558 174.305 174.900 -0.062 0.000 1.299 1164 G CA -0.577 44.496 45.100 -0.044 0.000 0.798 1164 G HN -0.303 nan 8.290 nan 0.000 0.490 1165 L N 0.820 122.013 121.223 -0.049 0.000 2.240 1165 L HA 0.246 4.586 4.340 -0.000 0.000 0.211 1165 L C 2.696 179.530 176.870 -0.060 0.000 1.106 1165 L CA 2.354 57.166 54.840 -0.047 0.000 0.793 1165 L CB -0.661 41.381 42.059 -0.028 0.000 0.927 1165 L HN 0.705 nan 8.230 nan 0.000 0.446 1166 G N -2.114 106.648 108.800 -0.063 0.000 2.838 1166 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.210 1166 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.210 1166 G C 1.210 176.068 174.900 -0.070 0.000 1.153 1166 G CA 0.366 45.427 45.100 -0.065 0.000 0.778 1166 G HN 0.302 nan 8.290 nan 0.000 0.539 1167 D N 0.760 121.114 120.400 -0.077 0.000 2.116 1167 D HA 0.109 4.749 4.640 -0.000 0.000 0.193 1167 D C 1.212 177.468 176.300 -0.074 0.000 0.998 1167 D CA 1.668 55.621 54.000 -0.079 0.000 0.836 1167 D CB 0.068 40.812 40.800 -0.094 0.000 0.951 1167 D HN 0.392 nan 8.370 nan 0.000 0.449 1168 A N -1.734 121.035 122.820 -0.085 0.000 2.610 1168 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 1168 A C -1.443 176.095 177.584 -0.077 0.000 1.086 1168 A CA -0.245 51.748 52.037 -0.072 0.000 0.677 1168 A CB 1.163 20.119 19.000 -0.073 0.000 1.278 1168 A HN 0.170 nan 8.150 nan 0.000 0.414 1169 A N 0.881 123.663 122.820 -0.064 0.000 2.289 1169 A HA 0.628 4.948 4.320 -0.000 0.000 0.298 1169 A C -0.580 176.965 177.584 -0.065 0.000 1.208 1169 A CA -0.291 51.700 52.037 -0.078 0.000 0.845 1169 A CB 0.353 19.308 19.000 -0.075 0.000 1.125 1169 A HN 1.504 nan 8.150 nan 0.000 0.517 1170 L N 4.958 126.138 121.223 -0.073 0.000 2.406 1170 L HA 0.505 4.845 4.340 -0.000 0.000 0.270 1170 L C -1.257 175.617 176.870 0.006 0.000 0.982 1170 L CA -0.377 54.450 54.840 -0.023 0.000 0.843 1170 L CB 0.957 43.006 42.059 -0.017 0.000 1.225 1170 L HN 0.690 nan 8.230 nan 0.000 0.412 1171 I N 5.505 126.093 120.570 0.029 0.000 2.352 1171 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 1171 I C 0.345 176.578 176.117 0.194 0.000 1.036 1171 I CA 0.065 61.436 61.300 0.118 0.000 1.336 1171 I CB 0.866 38.896 38.000 0.051 0.000 1.407 1171 I HN 0.529 nan 8.210 nan 0.000 0.497 1172 K N 4.493 125.093 120.400 0.334 0.000 2.312 1172 K HA 0.294 4.614 4.320 -0.000 0.000 0.236 1172 K C 0.710 177.325 176.600 0.026 0.000 1.079 1172 K CA -0.803 55.546 56.287 0.103 0.000 0.900 1172 K CB 0.886 33.397 32.500 0.018 0.000 1.297 1172 K HN 0.564 nan 8.250 nan 0.000 0.498 1173 D N 0.971 121.359 120.400 -0.020 0.000 2.154 1173 D HA -0.294 4.346 4.640 -0.000 0.000 0.190 1173 D C 0.835 177.092 176.300 -0.071 0.000 1.003 1173 D CA 1.719 55.702 54.000 -0.029 0.000 0.849 1173 D CB -0.498 40.286 40.800 -0.027 0.000 0.942 1173 D HN 0.401 nan 8.370 nan 0.000 0.446 1174 N N 0.970 119.566 118.700 -0.174 0.000 2.094 1174 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 1174 N C 1.861 177.262 175.510 -0.182 0.000 1.023 1174 N CA 1.313 54.231 53.050 -0.220 0.000 0.857 1174 N CB -0.646 37.636 38.487 -0.341 0.000 1.013 1174 N HN 0.513 nan 8.380 nan 0.000 0.426 1175 H N 0.764 119.835 119.070 0.001 0.000 2.357 1175 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 1175 H C 2.461 177.791 175.328 0.003 0.000 1.082 1175 H CA 0.531 56.579 56.048 -0.000 0.000 1.342 1175 H CB -0.562 29.199 29.762 -0.002 0.000 1.389 1175 H HN -0.024 nan 8.280 nan 0.000 0.511 1176 V N 1.615 121.597 119.914 0.114 0.000 2.282 1176 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 1176 V C 2.865 178.985 176.094 0.042 0.000 1.057 1176 V CA 1.839 64.179 62.300 0.067 0.000 1.032 1176 V CB -1.141 30.710 31.823 0.047 0.000 0.645 1176 V HN 0.494 nan 8.190 nan 0.000 0.447 1177 A N 0.038 122.871 122.820 0.023 0.000 1.851 1177 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 1177 A C 2.475 180.072 177.584 0.020 0.000 1.195 1177 A CA 2.600 54.645 52.037 0.013 0.000 0.622 1177 A CB -1.145 17.852 19.000 -0.005 0.000 0.831 1177 A HN 0.634 nan 8.150 nan 0.000 0.444 1178 A N -0.401 122.436 122.820 0.027 0.000 1.917 1178 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 1178 A C 2.478 180.083 177.584 0.035 0.000 1.182 1178 A CA 2.529 54.587 52.037 0.034 0.000 0.633 1178 A CB -1.026 18.006 19.000 0.053 0.000 0.819 1178 A HN 1.214 nan 8.150 nan 0.000 0.448 1179 A N -2.671 120.175 122.820 0.045 0.000 2.014 1179 A HA 0.367 4.687 4.320 -0.000 0.000 0.218 1179 A C 2.115 179.715 177.584 0.026 0.000 1.163 1179 A CA 1.757 53.814 52.037 0.035 0.000 0.652 1179 A CB -0.633 18.391 19.000 0.040 0.000 0.808 1179 A HN 1.861 nan 8.150 nan 0.000 0.449 1180 G N -1.655 107.160 108.800 0.026 0.000 2.792 1180 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.201 1180 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.201 1180 G C 0.509 175.423 174.900 0.022 0.000 1.322 1180 G CA 0.566 45.679 45.100 0.020 0.000 0.910 1180 G HN 1.820 nan 8.290 nan 0.000 0.535 1181 S N -0.684 115.031 115.700 0.025 0.000 2.697 1181 S HA 0.708 5.178 4.470 -0.000 0.000 0.289 1181 S C 1.177 175.796 174.600 0.032 0.000 1.149 1181 S CA 0.340 58.556 58.200 0.027 0.000 0.850 1181 S CB 1.774 64.987 63.200 0.023 0.000 1.151 1181 S HN 1.135 nan 8.310 nan 0.000 0.491 1182 V N 1.288 121.222 119.914 0.034 0.000 2.295 1182 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 1182 V C 2.665 178.777 176.094 0.030 0.000 1.049 1182 V CA 1.976 64.298 62.300 0.037 0.000 1.024 1182 V CB -1.644 30.202 31.823 0.038 0.000 0.648 1182 V HN 0.957 nan 8.190 nan 0.000 0.447 1183 V N -1.544 118.385 119.914 0.025 0.000 2.626 1183 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 1183 V C 2.085 178.189 176.094 0.017 0.000 1.067 1183 V CA 2.058 64.370 62.300 0.020 0.000 1.081 1183 V CB -0.884 30.950 31.823 0.018 0.000 0.686 1183 V HN 0.416 nan 8.190 nan 0.000 0.468 1184 D N 1.603 122.014 120.400 0.019 0.000 2.097 1184 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 1184 D C 2.376 178.686 176.300 0.016 0.000 0.984 1184 D CA 2.008 56.018 54.000 0.017 0.000 0.826 1184 D CB -0.355 40.456 40.800 0.019 0.000 0.973 1184 D HN 0.561 nan 8.370 nan 0.000 0.460 1185 A N 1.169 124.003 122.820 0.023 0.000 1.883 1185 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 1185 A C 2.380 179.965 177.584 0.002 0.000 1.186 1185 A CA 0.977 53.027 52.037 0.021 0.000 0.624 1185 A CB -0.959 18.071 19.000 0.049 0.000 0.822 1185 A HN 0.234 nan 8.150 nan 0.000 0.444 1186 L N -0.993 120.234 121.223 0.007 0.000 2.013 1186 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 1186 L C 2.862 179.728 176.870 -0.005 0.000 1.073 1186 L CA 1.456 56.295 54.840 -0.001 0.000 0.753 1186 L CB -0.267 41.796 42.059 0.007 0.000 0.890 1186 L HN 0.320 nan 8.230 nan 0.000 0.432 1187 R N -0.365 120.134 120.500 -0.001 0.000 2.075 1187 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 1187 R C 2.178 178.474 176.300 -0.008 0.000 1.126 1187 R CA 1.322 57.420 56.100 -0.003 0.000 0.963 1187 R CB -1.104 29.196 30.300 0.001 0.000 0.858 1187 R HN 0.434 nan 8.270 nan 0.000 0.435 1188 A N 0.813 123.627 122.820 -0.009 0.000 1.865 1188 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 1188 A C 2.495 180.064 177.584 -0.024 0.000 1.191 1188 A CA 1.954 53.983 52.037 -0.014 0.000 0.623 1188 A CB -0.745 18.248 19.000 -0.012 0.000 0.826 1188 A HN 0.104 nan 8.150 nan 0.000 0.444 1189 V N 0.199 120.092 119.914 -0.034 0.000 2.343 1189 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 1189 V C 2.697 178.771 176.094 -0.034 0.000 1.051 1189 V CA 1.959 64.232 62.300 -0.046 0.000 1.036 1189 V CB -0.850 30.934 31.823 -0.064 0.000 0.654 1189 V HN 0.456 nan 8.190 nan 0.000 0.451 1190 R N 0.355 120.840 120.500 -0.024 0.000 2.091 1190 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 1190 R C 2.125 178.415 176.300 -0.016 0.000 1.136 1190 R CA 1.935 58.025 56.100 -0.018 0.000 0.959 1190 R CB -0.953 29.340 30.300 -0.011 0.000 0.856 1190 R HN 0.570 nan 8.270 nan 0.000 0.437 1191 N N 0.294 118.985 118.700 -0.015 0.000 2.331 1191 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 1191 N C 1.414 176.914 175.510 -0.016 0.000 1.019 1191 N CA 1.219 54.261 53.050 -0.013 0.000 0.881 1191 N CB 0.081 38.561 38.487 -0.011 0.000 0.972 1191 N HN 0.216 nan 8.380 nan 0.000 0.435 1192 A N -0.758 122.049 122.820 -0.022 0.000 1.943 1192 A HA 0.538 4.858 4.320 -0.000 0.000 0.213 1192 A C 1.059 178.627 177.584 -0.027 0.000 1.181 1192 A CA 0.903 52.925 52.037 -0.024 0.000 0.653 1192 A CB -0.024 18.958 19.000 -0.030 0.000 0.833 1192 A HN 0.282 nan 8.150 nan 0.000 0.451 1193 A N -0.181 122.621 122.820 -0.029 0.000 3.317 1193 A HA 0.561 4.881 4.320 -0.000 0.000 0.307 1193 A C -1.636 175.933 177.584 -0.025 0.000 1.003 1193 A CA -0.767 51.253 52.037 -0.029 0.000 0.882 1193 A CB 0.356 19.334 19.000 -0.038 0.000 1.136 1193 A HN 0.177 nan 8.150 nan 0.000 0.488 1194 P HA -0.180 nan 4.420 nan 0.000 0.223 1194 P C 0.452 177.744 177.300 -0.014 0.000 1.144 1194 P CA 1.510 64.601 63.100 -0.015 0.000 0.783 1194 P CB 0.201 31.893 31.700 -0.012 0.000 0.771 1195 D N -1.612 118.778 120.400 -0.016 0.000 2.360 1195 D HA 0.018 4.658 4.640 -0.000 0.000 0.210 1195 D C 0.583 176.874 176.300 -0.016 0.000 1.047 1195 D CA -0.200 53.791 54.000 -0.014 0.000 0.854 1195 D CB -0.245 40.546 40.800 -0.015 0.000 0.936 1195 D HN 0.112 nan 8.370 nan 0.000 0.514 1196 L N 1.892 123.102 121.223 -0.021 0.000 2.326 1196 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 1196 L C -2.321 174.538 176.870 -0.019 0.000 1.092 1196 L CA -2.009 52.816 54.840 -0.024 0.000 0.810 1196 L CB 1.113 43.151 42.059 -0.034 0.000 1.153 1196 L HN -0.279 nan 8.230 nan 0.000 0.439 1197 P HA 0.020 nan 4.420 nan 0.000 0.265 1197 P C -1.077 176.217 177.300 -0.009 0.000 1.193 1197 P CA -0.101 62.996 63.100 -0.005 0.000 0.765 1197 P CB 0.361 32.063 31.700 0.002 0.000 0.823 1198 C N 4.513 123.811 119.300 -0.003 0.000 2.298 1198 C HA 0.384 4.844 4.460 -0.000 0.000 0.323 1198 C C -0.363 174.631 174.990 0.006 0.000 1.284 1198 C CA -0.186 58.828 59.018 -0.007 0.000 1.577 1198 C CB -0.628 27.107 27.740 -0.009 0.000 2.249 1198 C HN 0.571 nan 8.230 nan 0.000 0.497 1199 E N 3.352 123.556 120.200 0.008 0.000 2.248 1199 E HA 0.585 4.935 4.350 -0.000 0.000 0.267 1199 E C -1.304 175.307 176.600 0.018 0.000 0.877 1199 E CA -0.540 55.874 56.400 0.024 0.000 0.759 1199 E CB 2.392 32.125 29.700 0.055 0.000 1.182 1199 E HN 0.473 nan 8.360 nan 0.000 0.418 1200 V N 1.994 121.918 119.914 0.017 0.000 2.656 1200 V HA 0.339 4.459 4.120 -0.000 0.000 0.307 1200 V C -1.088 175.013 176.094 0.012 0.000 1.051 1200 V CA -0.525 61.788 62.300 0.020 0.000 0.893 1200 V CB 1.832 33.666 31.823 0.019 0.000 0.999 1200 V HN 0.784 nan 8.190 nan 0.000 0.426 1201 E N 4.852 125.065 120.200 0.022 0.000 2.134 1201 E HA 0.604 4.954 4.350 -0.000 0.000 0.278 1201 E C -1.012 175.596 176.600 0.014 0.000 0.959 1201 E CA -0.577 55.827 56.400 0.005 0.000 0.783 1201 E CB 1.817 31.529 29.700 0.020 0.000 1.095 1201 E HN 0.825 nan 8.360 nan 0.000 0.399 1202 V N 1.767 121.678 119.914 -0.006 0.000 2.769 1202 V HA 0.505 4.625 4.120 -0.000 0.000 0.312 1202 V C -0.460 175.716 176.094 0.136 0.000 1.061 1202 V CA -0.654 61.679 62.300 0.055 0.000 0.931 1202 V CB 1.873 33.736 31.823 0.067 0.000 1.010 1202 V HN 0.770 nan 8.190 nan 0.000 0.433 1203 D N 1.093 121.622 120.400 0.214 0.000 2.535 1203 D HA 0.352 4.992 4.640 -0.000 0.000 0.229 1203 D C 0.300 176.773 176.300 0.289 0.000 1.238 1203 D CA 0.483 54.677 54.000 0.323 0.000 0.824 1203 D CB 0.300 41.193 40.800 0.155 0.000 1.045 1203 D HN 1.028 nan 8.370 nan 0.000 0.500 1204 S N -1.323 114.548 115.700 0.285 0.000 2.588 1204 S HA 0.364 4.834 4.470 -0.000 0.000 0.269 1204 S C 0.247 174.915 174.600 0.113 0.000 1.157 1204 S CA -0.951 57.251 58.200 0.004 0.000 0.824 1204 S CB 0.688 63.887 63.200 -0.003 0.000 1.126 1204 S HN -0.001 nan 8.310 nan 0.000 0.464 1205 L N 0.781 121.968 121.223 -0.061 0.000 2.291 1205 L HA 0.039 4.379 4.340 -0.000 0.000 0.214 1205 L C 2.195 179.105 176.870 0.066 0.000 1.120 1205 L CA 1.043 55.912 54.840 0.049 0.000 0.799 1205 L CB -0.504 41.539 42.059 -0.026 0.000 0.925 1205 L HN 0.722 nan 8.230 nan 0.000 0.446 1206 E N 0.041 120.265 120.200 0.041 0.000 2.047 1206 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 1206 E C 2.209 178.843 176.600 0.057 0.000 0.987 1206 E CA 1.078 57.504 56.400 0.044 0.000 0.799 1206 E CB -0.130 29.588 29.700 0.030 0.000 0.752 1206 E HN 0.424 nan 8.360 nan 0.000 0.449 1207 Q N -0.022 119.821 119.800 0.071 0.000 2.124 1207 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1207 Q C 2.259 178.304 176.000 0.074 0.000 0.977 1207 Q CA 1.041 56.886 55.803 0.071 0.000 0.850 1207 Q CB -0.219 28.567 28.738 0.080 0.000 0.901 1207 Q HN 0.200 nan 8.270 nan 0.000 0.429 1208 L N 1.418 122.705 121.223 0.105 0.000 1.989 1208 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 1208 L C 1.492 178.400 176.870 0.064 0.000 1.071 1208 L CA 2.025 56.920 54.840 0.091 0.000 0.749 1208 L CB -0.460 41.684 42.059 0.141 0.000 0.890 1208 L HN 0.105 nan 8.230 nan 0.000 0.431 1209 D N -0.089 120.349 120.400 0.064 0.000 2.149 1209 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 1209 D C 2.179 178.502 176.300 0.039 0.000 0.990 1209 D CA 1.518 55.547 54.000 0.048 0.000 0.839 1209 D CB -0.241 40.586 40.800 0.046 0.000 0.948 1209 D HN 0.563 nan 8.370 nan 0.000 0.460 1210 A N 0.553 123.397 122.820 0.039 0.000 1.898 1210 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 1210 A C 2.400 180.001 177.584 0.028 0.000 1.181 1210 A CA 1.856 53.913 52.037 0.032 0.000 0.620 1210 A CB -0.534 18.486 19.000 0.033 0.000 0.819 1210 A HN 0.246 nan 8.150 nan 0.000 0.442 1211 V N -2.754 117.179 119.914 0.031 0.000 3.052 1211 V HA 0.054 4.174 4.120 -0.000 0.000 0.254 1211 V C 2.135 178.242 176.094 0.021 0.000 1.100 1211 V CA 0.950 63.265 62.300 0.024 0.000 1.112 1211 V CB -0.808 31.029 31.823 0.024 0.000 0.738 1211 V HN 0.397 nan 8.190 nan 0.000 0.469 1212 L N 0.927 122.165 121.223 0.024 0.000 2.013 1212 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 1212 L C 0.602 177.482 176.870 0.017 0.000 1.073 1212 L CA 2.606 57.459 54.840 0.021 0.000 0.753 1212 L CB -1.851 40.223 42.059 0.025 0.000 0.890 1212 L HN 0.365 nan 8.230 nan 0.000 0.432 1213 P HA -0.177 nan 4.420 nan 0.000 0.218 1213 P C 0.973 178.281 177.300 0.013 0.000 1.149 1213 P CA 1.293 64.402 63.100 0.015 0.000 0.817 1213 P CB -0.083 31.626 31.700 0.016 0.000 0.785 1214 E N 0.392 120.600 120.200 0.013 0.000 2.338 1214 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 1214 E C 0.462 177.067 176.600 0.009 0.000 1.007 1214 E CA 0.355 56.761 56.400 0.011 0.000 0.849 1214 E CB -0.599 29.108 29.700 0.011 0.000 0.774 1214 E HN 0.340 nan 8.360 nan 0.000 0.506 1215 K N 0.697 121.103 120.400 0.010 0.000 3.393 1215 K HA -0.139 4.181 4.320 -0.000 0.000 0.272 1215 K C -2.371 174.234 176.600 0.009 0.000 1.004 1215 K CA 0.268 56.560 56.287 0.010 0.000 0.764 1215 K CB -1.131 31.374 32.500 0.009 0.000 1.373 1215 K HN 0.242 nan 8.250 nan 0.000 0.458 1216 P HA 0.020 nan 4.420 nan 0.000 0.272 1216 P C 0.402 177.710 177.300 0.013 0.000 1.240 1216 P CA 0.013 63.119 63.100 0.009 0.000 0.791 1216 P CB 0.757 32.462 31.700 0.009 0.000 0.978 1217 E N -0.422 119.787 120.200 0.015 0.000 2.110 1217 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 1217 E C 0.504 177.123 176.600 0.031 0.000 0.988 1217 E CA 1.166 57.579 56.400 0.023 0.000 0.804 1217 E CB -0.257 29.458 29.700 0.024 0.000 0.745 1217 E HN 0.319 nan 8.360 nan 0.000 0.458 1218 L N -0.778 120.461 121.223 0.027 0.000 2.545 1218 L HA 0.436 4.776 4.340 -0.000 0.000 0.258 1218 L C -1.725 175.152 176.870 0.011 0.000 0.942 1218 L CA -0.392 54.465 54.840 0.028 0.000 0.855 1218 L CB 1.585 43.664 42.059 0.034 0.000 1.374 1218 L HN -0.163 nan 8.230 nan 0.000 0.411 1219 I N 4.490 125.056 120.570 -0.007 0.000 2.433 1219 I HA 0.416 4.585 4.170 -0.000 0.000 0.292 1219 I C -1.104 174.974 176.117 -0.066 0.000 1.001 1219 I CA -0.661 60.619 61.300 -0.033 0.000 1.119 1219 I CB 1.935 39.908 38.000 -0.044 0.000 1.289 1219 I HN 0.442 nan 8.210 nan 0.000 0.438 1220 L N 6.767 127.945 121.223 -0.076 0.000 2.272 1220 L HA 0.409 4.749 4.340 -0.000 0.000 0.289 1220 L C -0.403 176.343 176.870 -0.207 0.000 1.032 1220 L CA -0.201 54.574 54.840 -0.108 0.000 0.810 1220 L CB 1.177 43.202 42.059 -0.056 0.000 1.205 1220 L HN 0.393 nan 8.230 nan 0.000 0.422 1221 L N 3.182 124.203 121.223 -0.337 0.000 2.312 1221 L HA 0.216 4.555 4.340 -0.000 0.000 0.287 1221 L C -0.132 176.494 176.870 -0.406 0.000 1.091 1221 L CA -0.383 54.026 54.840 -0.717 0.000 0.846 1221 L CB 0.332 41.827 42.059 -0.939 0.000 1.219 1221 L HN 0.532 nan 8.230 nan 0.000 0.439 1222 D N 4.830 125.110 120.400 -0.200 0.000 2.352 1222 D HA 0.031 4.670 4.640 -0.000 0.000 0.245 1222 D C 0.399 176.803 176.300 0.173 0.000 1.224 1222 D CA 0.155 54.158 54.000 0.005 0.000 0.879 1222 D CB 0.232 41.054 40.800 0.037 0.000 1.057 1222 D HN 0.415 nan 8.370 nan 0.000 0.491 1223 N N 3.133 121.911 118.700 0.130 0.000 2.756 1223 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 1223 N C -0.983 174.710 175.510 0.306 0.000 1.062 1223 N CA 0.475 53.627 53.050 0.171 0.000 0.696 1223 N CB -1.117 37.440 38.487 0.116 0.000 0.946 1223 N HN 0.300 nan 8.380 nan 0.000 0.548 1224 F N 0.961 120.918 119.950 0.012 0.000 2.385 1224 F HA 0.539 5.066 4.527 -0.000 0.000 0.336 1224 F C 1.350 177.185 175.800 0.058 0.000 1.100 1224 F CA -0.982 57.004 58.000 -0.025 0.000 1.116 1224 F CB 0.778 39.754 39.000 -0.040 0.000 1.166 1224 F HN 0.149 nan 8.300 nan 0.000 0.511 1225 A N 2.612 125.418 122.820 -0.024 0.000 2.327 1225 A HA 0.381 4.701 4.320 -0.000 0.000 0.255 1225 A C 1.132 178.648 177.584 -0.112 0.000 1.099 1225 A CA -0.383 51.630 52.037 -0.040 0.000 0.801 1225 A CB 0.096 18.992 19.000 -0.173 0.000 1.062 1225 A HN 0.660 nan 8.150 nan 0.000 0.496 1226 V N 0.754 120.546 119.914 -0.203 0.000 2.343 1226 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 1226 V C 2.284 178.320 176.094 -0.097 0.000 1.051 1226 V CA 2.254 64.345 62.300 -0.349 0.000 1.036 1226 V CB -1.310 30.279 31.823 -0.389 0.000 0.654 1226 V HN 1.061 nan 8.190 nan 0.000 0.451 1227 W N 1.032 122.297 121.300 -0.059 0.000 2.363 1227 W HA -0.188 4.472 4.660 -0.000 0.000 0.296 1227 W C 1.837 178.364 176.519 0.013 0.000 1.212 1227 W CA 1.255 58.584 57.345 -0.026 0.000 1.260 1227 W CB -0.964 28.477 29.460 -0.031 0.000 1.131 1227 W HN 0.292 nan 8.180 nan 0.000 0.530 1228 Q N 0.662 119.917 119.800 -0.908 0.000 2.172 1228 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 1228 Q C 2.305 178.273 176.000 -0.053 0.000 0.964 1228 Q CA 2.324 57.656 55.803 -0.785 0.000 0.855 1228 Q CB -0.352 27.711 28.738 -1.125 0.000 0.918 1228 Q HN 0.203 nan 8.270 nan 0.000 0.444 1229 T N 0.703 115.294 114.554 0.062 0.000 2.777 1229 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 1229 T C 1.733 176.487 174.700 0.090 0.000 1.040 1229 T CA 1.370 63.566 62.100 0.160 0.000 1.141 1229 T CB -0.140 68.832 68.868 0.174 0.000 0.868 1229 T HN 0.167 nan 8.240 nan 0.000 0.444 1230 Q N 1.229 121.067 119.800 0.064 0.000 2.061 1230 Q HA -0.107 4.232 4.340 -0.000 0.000 0.204 1230 Q C 2.272 178.324 176.000 0.086 0.000 0.984 1230 Q CA 2.043 57.888 55.803 0.071 0.000 0.846 1230 Q CB -0.977 27.813 28.738 0.088 0.000 0.902 1230 Q HN 0.459 nan 8.270 nan 0.000 0.421 1231 T N 0.446 115.066 114.554 0.110 0.000 2.674 1231 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 1231 T C 1.761 176.518 174.700 0.096 0.000 1.039 1231 T CA 1.619 63.789 62.100 0.116 0.000 1.150 1231 T CB -0.786 68.165 68.868 0.138 0.000 0.864 1231 T HN 0.483 nan 8.240 nan 0.000 0.427 1232 A N 1.017 123.905 122.820 0.113 0.000 1.917 1232 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 1232 A C 2.600 180.218 177.584 0.057 0.000 1.182 1232 A CA 1.642 53.742 52.037 0.106 0.000 0.633 1232 A CB -1.123 17.951 19.000 0.125 0.000 0.819 1232 A HN 0.368 nan 8.150 nan 0.000 0.448 1233 V N -0.336 119.608 119.914 0.049 0.000 2.358 1233 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 1233 V C 2.631 178.743 176.094 0.030 0.000 1.047 1233 V CA 2.270 64.587 62.300 0.028 0.000 1.035 1233 V CB -0.908 30.930 31.823 0.025 0.000 0.658 1233 V HN 0.652 nan 8.190 nan 0.000 0.452 1234 Q N -0.337 119.489 119.800 0.043 0.000 2.050 1234 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 1234 Q C 2.504 178.527 176.000 0.038 0.000 0.980 1234 Q CA 1.619 57.446 55.803 0.040 0.000 0.840 1234 Q CB -0.221 28.547 28.738 0.050 0.000 0.898 1234 Q HN 0.571 nan 8.270 nan 0.000 0.424 1235 R N 0.194 120.722 120.500 0.046 0.000 2.096 1235 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 1235 R C 2.388 178.707 176.300 0.032 0.000 1.127 1235 R CA 0.855 56.981 56.100 0.043 0.000 0.968 1235 R CB -0.215 30.117 30.300 0.054 0.000 0.861 1235 R HN 0.101 nan 8.270 nan 0.000 0.440 1236 R N 1.489 122.005 120.500 0.027 0.000 2.066 1236 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 1236 R C 1.061 177.369 176.300 0.013 0.000 1.131 1236 R CA 1.802 57.913 56.100 0.017 0.000 0.955 1236 R CB -0.426 29.879 30.300 0.009 0.000 0.851 1236 R HN 0.114 nan 8.270 nan 0.000 0.432 1237 D N 0.130 120.538 120.400 0.013 0.000 2.182 1237 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 1237 D C 1.824 178.131 176.300 0.012 0.000 0.986 1237 D CA 1.942 55.948 54.000 0.010 0.000 0.847 1237 D CB -0.020 40.787 40.800 0.010 0.000 0.942 1237 D HN 0.426 nan 8.370 nan 0.000 0.467 1238 S N -0.749 114.960 115.700 0.016 0.000 2.470 1238 S HA 0.112 4.582 4.470 -0.000 0.000 0.222 1238 S C 1.807 176.416 174.600 0.015 0.000 1.024 1238 S CA -0.046 58.163 58.200 0.016 0.000 0.931 1238 S CB 0.326 63.537 63.200 0.019 0.000 0.791 1238 S HN 0.128 nan 8.310 nan 0.000 0.513 1239 R N 1.014 121.524 120.500 0.017 0.000 2.167 1239 R HA 0.478 4.818 4.340 -0.000 0.000 0.201 1239 R C 0.302 176.610 176.300 0.014 0.000 1.024 1239 R CA 0.779 56.888 56.100 0.016 0.000 1.053 1239 R CB 0.303 30.615 30.300 0.020 0.000 0.987 1239 R HN 0.378 nan 8.270 nan 0.000 0.493 1240 A N 1.260 124.088 122.820 0.013 0.000 3.156 1240 A HA 0.362 4.681 4.320 -0.000 0.000 0.311 1240 A C -2.352 175.237 177.584 0.008 0.000 1.129 1240 A CA -1.143 50.900 52.037 0.010 0.000 0.809 1240 A CB 0.834 19.841 19.000 0.011 0.000 1.257 1240 A HN -0.082 nan 8.150 nan 0.000 0.491 1241 P HA -0.181 nan 4.420 nan 0.000 0.220 1241 P C 1.682 178.983 177.300 0.001 0.000 1.144 1241 P CA 2.266 65.368 63.100 0.003 0.000 0.800 1241 P CB 0.091 31.793 31.700 0.003 0.000 0.772 1242 T N -4.294 110.263 114.554 0.004 0.000 2.985 1242 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 1242 T C 0.857 175.563 174.700 0.009 0.000 1.076 1242 T CA 0.118 62.222 62.100 0.006 0.000 1.135 1242 T CB -1.030 67.843 68.868 0.008 0.000 0.890 1242 T HN -0.174 nan 8.240 nan 0.000 0.480 1243 V N 4.028 123.947 119.914 0.009 0.000 2.529 1243 V HA 0.187 4.307 4.120 -0.000 0.000 0.292 1243 V C 0.675 176.776 176.094 0.010 0.000 1.028 1243 V CA -0.212 62.096 62.300 0.012 0.000 1.074 1243 V CB 0.098 31.926 31.823 0.009 0.000 0.958 1243 V HN 0.466 nan 8.190 nan 0.000 0.481 1244 M N 5.285 124.901 119.600 0.027 0.000 2.250 1244 M HA 0.418 4.898 4.480 -0.000 0.000 0.344 1244 M C -0.610 175.707 176.300 0.029 0.000 1.150 1244 M CA -0.475 54.847 55.300 0.037 0.000 1.147 1244 M CB 1.126 33.802 32.600 0.126 0.000 1.498 1244 M HN 0.326 nan 8.290 nan 0.000 0.461 1245 L N 1.807 123.034 121.223 0.007 0.000 2.346 1245 L HA 0.493 4.833 4.340 -0.000 0.000 0.274 1245 L C -0.357 176.525 176.870 0.019 0.000 1.007 1245 L CA -0.216 54.616 54.840 -0.014 0.000 0.818 1245 L CB 1.728 43.763 42.059 -0.040 0.000 1.284 1245 L HN 0.725 nan 8.230 nan 0.000 0.424 1246 E N 1.214 121.410 120.200 -0.008 0.000 2.274 1246 E HA 0.475 4.825 4.350 -0.000 0.000 0.269 1246 E C -1.399 175.157 176.600 -0.074 0.000 0.891 1246 E CA -0.400 56.006 56.400 0.010 0.000 0.784 1246 E CB 1.441 31.144 29.700 0.005 0.000 1.225 1246 E HN 0.578 nan 8.360 nan 0.000 0.412 1247 S N 2.154 117.813 115.700 -0.068 0.000 2.545 1247 S HA 0.412 4.882 4.470 -0.000 0.000 0.275 1247 S C -0.621 173.891 174.600 -0.147 0.000 1.299 1247 S CA -0.438 57.688 58.200 -0.123 0.000 1.048 1247 S CB 1.375 64.504 63.200 -0.118 0.000 0.938 1247 S HN 0.422 nan 8.310 nan 0.000 0.496 1248 S N 1.606 117.216 115.700 -0.150 0.000 2.572 1248 S HA 0.752 5.221 4.470 -0.000 0.000 0.274 1248 S C 0.229 174.776 174.600 -0.090 0.000 1.150 1248 S CA 0.319 58.449 58.200 -0.117 0.000 0.944 1248 S CB 0.837 63.987 63.200 -0.082 0.000 1.071 1248 S HN 1.186 nan 8.310 nan 0.000 0.479 1249 G N 3.440 112.193 108.800 -0.078 0.000 1.742 1249 G HA2 0.030 3.990 3.960 -0.000 0.000 0.185 1249 G HA3 0.030 3.990 3.960 -0.000 0.000 0.185 1249 G C 0.571 175.457 174.900 -0.023 0.000 1.174 1249 G CA 0.062 45.144 45.100 -0.030 0.000 1.276 1249 G HN 1.552 nan 8.290 nan 0.000 0.424 1250 G N 0.851 109.640 108.800 -0.019 0.000 3.471 1250 G HA2 0.500 4.460 3.960 -0.000 0.000 0.254 1250 G HA3 0.500 4.460 3.960 -0.000 0.000 0.254 1250 G C -0.229 174.666 174.900 -0.008 0.000 1.199 1250 G CA 0.113 45.228 45.100 0.026 0.000 1.683 1250 G HN 0.415 nan 8.290 nan 0.000 0.625 1251 L N 1.638 122.840 121.223 -0.035 0.000 2.307 1251 L HA 0.626 4.966 4.340 -0.000 0.000 0.282 1251 L C 0.539 177.566 176.870 0.261 0.000 1.051 1251 L CA -0.651 54.213 54.840 0.039 0.000 0.804 1251 L CB 1.614 43.676 42.059 0.006 0.000 1.197 1251 L HN 0.261 nan 8.230 nan 0.000 0.431 1252 S N 1.978 117.835 115.700 0.263 0.000 2.595 1252 S HA 0.426 4.896 4.470 -0.000 0.000 0.281 1252 S C 0.401 174.911 174.600 -0.151 0.000 1.117 1252 S CA -0.720 57.580 58.200 0.167 0.000 0.873 1252 S CB 1.163 64.413 63.200 0.085 0.000 1.108 1252 S HN 0.386 nan 8.310 nan 0.000 0.477 1253 L N 1.467 122.389 121.223 -0.503 0.000 2.265 1253 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 1253 L C 2.504 179.135 176.870 -0.399 0.000 1.117 1253 L CA 1.809 56.120 54.840 -0.881 0.000 0.782 1253 L CB -0.976 40.608 42.059 -0.791 0.000 0.914 1253 L HN 0.816 nan 8.230 nan 0.000 0.441 1254 Q N -1.615 118.068 119.800 -0.195 0.000 2.212 1254 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 1254 Q C 1.855 177.836 176.000 -0.032 0.000 0.950 1254 Q CA 1.580 57.326 55.803 -0.095 0.000 0.863 1254 Q CB -0.999 27.712 28.738 -0.045 0.000 0.944 1254 Q HN 0.645 nan 8.270 nan 0.000 0.465 1255 T N -2.426 112.142 114.554 0.024 0.000 3.037 1255 T HA 0.412 4.762 4.350 -0.000 0.000 0.251 1255 T C 1.992 176.828 174.700 0.226 0.000 1.079 1255 T CA 0.487 62.674 62.100 0.145 0.000 1.067 1255 T CB 0.048 69.076 68.868 0.267 0.000 0.948 1255 T HN 0.227 nan 8.240 nan 0.000 0.496 1256 A N 2.333 125.229 122.820 0.126 0.000 1.896 1256 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 1256 A C 2.790 180.484 177.584 0.182 0.000 1.206 1256 A CA 2.384 54.538 52.037 0.193 0.000 0.647 1256 A CB -1.542 17.493 19.000 0.058 0.000 0.828 1256 A HN 0.818 nan 8.150 nan 0.000 0.455 1257 A N -1.602 121.271 122.820 0.087 0.000 1.972 1257 A HA -0.048 4.271 4.320 -0.000 0.000 0.219 1257 A C 2.274 179.904 177.584 0.077 0.000 1.169 1257 A CA 2.252 54.331 52.037 0.069 0.000 0.635 1257 A CB -1.164 17.851 19.000 0.024 0.000 0.810 1257 A HN 0.484 nan 8.150 nan 0.000 0.446 1258 T N -1.322 113.280 114.554 0.079 0.000 2.777 1258 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 1258 T C 1.716 176.415 174.700 -0.001 0.000 1.040 1258 T CA 1.747 63.856 62.100 0.015 0.000 1.141 1258 T CB -0.427 68.421 68.868 -0.033 0.000 0.868 1258 T HN 0.569 nan 8.240 nan 0.000 0.444 1259 Y N 1.362 121.694 120.300 0.054 0.000 2.200 1259 Y HA 0.042 4.592 4.550 -0.000 0.000 0.290 1259 Y C 2.750 178.674 175.900 0.040 0.000 1.137 1259 Y CA 0.795 58.928 58.100 0.055 0.000 1.163 1259 Y CB -0.625 37.878 38.460 0.072 0.000 0.988 1259 Y HN 0.183 nan 8.280 nan 0.000 0.518 1260 A N 0.134 123.077 122.820 0.204 0.000 1.902 1260 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 1260 A C 1.972 179.593 177.584 0.063 0.000 1.181 1260 A CA 1.909 54.013 52.037 0.113 0.000 0.623 1260 A CB -0.686 18.373 19.000 0.097 0.000 0.818 1260 A HN 0.513 nan 8.150 nan 0.000 0.443 1261 E N -0.596 119.635 120.200 0.052 0.000 2.267 1261 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 1261 E C 2.060 178.672 176.600 0.019 0.000 0.998 1261 E CA 1.414 57.830 56.400 0.025 0.000 0.830 1261 E CB -0.254 29.455 29.700 0.015 0.000 0.751 1261 E HN 0.885 nan 8.360 nan 0.000 0.491 1262 T N -3.425 111.145 114.554 0.026 0.000 2.962 1262 T HA -0.013 4.337 4.350 -0.000 0.000 0.270 1262 T C 1.608 176.320 174.700 0.020 0.000 1.088 1262 T CA 0.927 63.041 62.100 0.023 0.000 1.127 1262 T CB 0.151 69.039 68.868 0.033 0.000 0.883 1262 T HN 0.285 nan 8.240 nan 0.000 0.493 1263 G N 0.640 109.448 108.800 0.015 0.000 2.184 1263 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.206 1263 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.206 1263 G C 0.144 175.030 174.900 -0.024 0.000 0.995 1263 G CA -0.094 45.002 45.100 -0.007 0.000 0.651 1263 G HN 1.374 nan 8.290 nan 0.000 0.511 1264 V N -1.147 118.762 119.914 -0.008 0.000 3.032 1264 V HA 0.322 4.442 4.120 -0.000 0.000 0.307 1264 V C 1.236 177.265 176.094 -0.109 0.000 1.097 1264 V CA 0.830 63.109 62.300 -0.035 0.000 1.191 1264 V CB 0.812 32.638 31.823 0.004 0.000 0.964 1264 V HN 0.198 nan 8.190 nan 0.000 0.494 1265 D N 0.960 121.239 120.400 -0.202 0.000 2.249 1265 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 1265 D C -0.240 175.616 176.300 -0.740 0.000 0.962 1265 D CA 1.610 55.316 54.000 -0.491 0.000 0.860 1265 D CB 0.216 40.650 40.800 -0.609 0.000 0.955 1265 D HN 0.713 nan 8.370 nan 0.000 0.505 1266 Y N -0.836 119.427 120.300 -0.061 0.000 2.625 1266 Y HA 0.442 4.992 4.550 -0.000 0.000 0.338 1266 Y C -0.883 174.965 175.900 -0.087 0.000 1.123 1266 Y CA -1.064 56.986 58.100 -0.085 0.000 1.046 1266 Y CB 1.432 39.806 38.460 -0.143 0.000 1.299 1266 Y HN -0.323 nan 8.280 nan 0.000 0.464 1267 L N 1.988 123.263 121.223 0.086 0.000 2.372 1267 L HA 0.769 5.109 4.340 -0.000 0.000 0.273 1267 L C -0.432 176.366 176.870 -0.119 0.000 0.989 1267 L CA -0.721 54.103 54.840 -0.027 0.000 0.841 1267 L CB 1.547 43.609 42.059 0.004 0.000 1.225 1267 L HN 0.772 nan 8.230 nan 0.000 0.414 1268 A N 4.258 126.988 122.820 -0.151 0.000 2.302 1268 A HA 0.659 4.979 4.320 -0.000 0.000 0.295 1268 A C -0.498 176.931 177.584 -0.257 0.000 1.235 1268 A CA -0.343 51.584 52.037 -0.182 0.000 0.876 1268 A CB 0.252 19.175 19.000 -0.128 0.000 1.133 1268 A HN 0.407 nan 8.150 nan 0.000 0.533 1269 V N 3.902 123.605 119.914 -0.351 0.000 2.304 1269 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 1269 V C 1.406 177.269 176.094 -0.384 0.000 1.018 1269 V CA 0.194 62.194 62.300 -0.499 0.000 0.814 1269 V CB 0.780 32.014 31.823 -0.983 0.000 1.021 1269 V HN 1.055 nan 8.190 nan 0.000 0.440 1270 G N 3.397 112.034 108.800 -0.273 0.000 2.422 1270 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.218 1270 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.218 1270 G C 1.589 176.002 174.900 -0.811 0.000 1.140 1270 G CA 1.066 45.990 45.100 -0.292 0.000 0.775 1270 G HN 0.838 nan 8.290 nan 0.000 0.545 1271 A N 0.498 122.877 122.820 -0.736 0.000 2.032 1271 A HA -0.017 4.303 4.320 -0.000 0.000 0.221 1271 A C 2.282 179.615 177.584 -0.418 0.000 1.165 1271 A CA 1.366 53.012 52.037 -0.652 0.000 0.645 1271 A CB -0.333 18.568 19.000 -0.165 0.000 0.807 1271 A HN 0.304 nan 8.150 nan 0.000 0.453 1272 L N -0.010 120.982 121.223 -0.386 0.000 2.127 1272 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 1272 L C 2.755 179.499 176.870 -0.209 0.000 1.089 1272 L CA 2.532 57.213 54.840 -0.264 0.000 0.757 1272 L CB -0.966 40.914 42.059 -0.297 0.000 0.899 1272 L HN 0.700 nan 8.230 nan 0.000 0.434 1273 T N -4.729 109.688 114.554 -0.229 0.000 2.978 1273 T HA 0.105 4.455 4.350 -0.000 0.000 0.248 1273 T C 0.643 175.336 174.700 -0.010 0.000 1.018 1273 T CA 0.061 62.097 62.100 -0.106 0.000 1.026 1273 T CB -0.306 68.527 68.868 -0.058 0.000 1.032 1273 T HN 0.420 nan 8.240 nan 0.000 0.485 1274 H N 0.803 119.876 119.070 0.005 0.000 2.517 1274 H HA 0.727 5.283 4.556 -0.000 0.000 0.346 1274 H C 0.252 175.597 175.328 0.028 0.000 1.222 1274 H CA -0.773 55.291 56.048 0.026 0.000 1.314 1274 H CB 0.397 30.168 29.762 0.014 0.000 1.609 1274 H HN 0.000 nan 8.280 nan 0.000 0.571 1275 S N -1.317 114.581 115.700 0.331 0.000 3.631 1275 S HA -0.152 4.317 4.470 -0.000 0.000 0.366 1275 S C 0.014 174.670 174.600 0.094 0.000 0.993 1275 S CA 0.595 58.925 58.200 0.217 0.000 1.167 1275 S CB -2.342 61.036 63.200 0.296 0.000 0.909 1275 S HN 1.026 nan 8.310 nan 0.000 0.478 1276 V N -0.196 119.766 119.914 0.079 0.000 2.472 1276 V HA 0.690 4.810 4.120 -0.000 0.000 0.290 1276 V C 0.253 176.375 176.094 0.046 0.000 1.037 1276 V CA -1.026 61.284 62.300 0.017 0.000 0.908 1276 V CB 1.817 33.575 31.823 -0.109 0.000 0.985 1276 V HN 0.456 nan 8.190 nan 0.000 0.454 1277 R N 4.235 124.750 120.500 0.025 0.000 2.265 1277 R HA 0.557 4.896 4.340 -0.000 0.000 0.319 1277 R C -0.667 175.647 176.300 0.024 0.000 1.006 1277 R CA -0.511 55.610 56.100 0.035 0.000 0.880 1277 R CB 1.725 32.043 30.300 0.030 0.000 1.077 1277 R HN 0.823 nan 8.270 nan 0.000 0.454 1278 V N 5.476 125.418 119.914 0.046 0.000 2.843 1278 V HA 0.017 4.137 4.120 -0.000 0.000 0.305 1278 V C -0.195 175.915 176.094 0.026 0.000 1.065 1278 V CA -0.117 62.212 62.300 0.048 0.000 1.116 1278 V CB 1.014 32.876 31.823 0.064 0.000 0.968 1278 V HN 0.590 nan 8.190 nan 0.000 0.487 1279 L N 5.871 127.106 121.223 0.019 0.000 2.261 1279 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 1279 L C 0.003 176.883 176.870 0.018 0.000 1.059 1279 L CA -0.017 54.830 54.840 0.013 0.000 0.816 1279 L CB 0.793 42.856 42.059 0.007 0.000 1.191 1279 L HN 0.719 nan 8.230 nan 0.000 0.431 1280 D N 5.574 125.983 120.400 0.015 0.000 2.412 1280 D HA 0.183 4.823 4.640 -0.000 0.000 0.257 1280 D C -0.564 175.742 176.300 0.011 0.000 1.217 1280 D CA 0.715 54.723 54.000 0.014 0.000 0.897 1280 D CB 0.139 40.946 40.800 0.012 0.000 1.132 1280 D HN 0.431 nan 8.370 nan 0.000 0.493 1281 I N 2.321 122.898 120.570 0.012 0.000 2.647 1281 I HA 0.566 4.736 4.170 -0.000 0.000 0.295 1281 I C 0.653 176.774 176.117 0.006 0.000 1.078 1281 I CA -0.977 60.329 61.300 0.009 0.000 1.048 1281 I CB 2.472 40.478 38.000 0.010 0.000 1.239 1281 I HN 0.356 nan 8.210 nan 0.000 0.421 1282 G N 3.941 112.743 108.800 0.004 0.000 2.569 1282 G HA2 0.667 4.627 3.960 -0.000 0.000 0.300 1282 G HA3 0.667 4.627 3.960 -0.000 0.000 0.300 1282 G C -1.958 172.941 174.900 -0.001 0.000 1.269 1282 G CA -0.618 44.483 45.100 0.002 0.000 0.959 1282 G HN 0.379 nan 8.290 nan 0.000 0.478 1283 L N 1.114 122.335 121.223 -0.003 0.000 2.262 1283 L HA 0.502 4.842 4.340 -0.000 0.000 0.288 1283 L C -1.100 175.769 176.870 -0.003 0.000 1.035 1283 L CA -0.810 54.026 54.840 -0.005 0.000 0.820 1283 L CB 1.056 43.109 42.059 -0.010 0.000 1.204 1283 L HN 0.250 nan 8.230 nan 0.000 0.424 1284 D N 6.610 127.009 120.400 -0.001 0.000 2.280 1284 D HA 0.463 5.103 4.640 -0.000 0.000 0.236 1284 D C -0.062 176.239 176.300 0.002 0.000 1.082 1284 D CA 0.116 54.117 54.000 0.001 0.000 0.834 1284 D CB 1.549 42.350 40.800 0.003 0.000 1.100 1284 D HN 0.523 nan 8.370 nan 0.000 0.486 1285 M N 0.000 119.601 119.600 0.002 0.000 2.572 1285 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1285 M CA 0.000 55.302 55.300 0.004 0.000 0.988 1285 M CB 0.000 32.602 32.600 0.003 0.000 1.302 1285 M HN 0.000 nan 8.290 nan 0.000 0.411