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 3mzk_1_C DATA FIRST_RESID 990 DATA SEQUENCE RRQFPIFHWS AANKVVYAVP PIXXXXXXXX XXXXVQEIKV TPIDQIIKPN DATA SEQUENCE DMLKSFPGPL GSAKLKKKDL TKWMETTIKS ISENESSTDM TIWQLLEMKL DATA SEQUENCE NDKVNWKNIS KLLYNSDELL MYLSQPFPNG DMIPNAYRLD INCQMRVLAF DATA SEQUENCE LQTGNHDEAL RLALSKRDYA IALLVGSLMG KDRWSEVIQK YLYEGXXXXX DATA SEQUENCE XXXKELAHFL LLIFQVFVGN SKMAIKSFYT NNETSQWASE NWKSIVAAVL DATA SEQUENCE INIPENNEDP LLIPPVVLEF LIEFGIFLTK KGLTAAASTL FIIGNVPLSN DATA SEQUENCE EPVMADSDVI FESIGNMNTF ESILWDEIYE YIFSYDPKFK GFSSILPQKI DATA SEQUENCE YHASLLQEQG LNSLGTKYTD YLSSSVRKLP KKDILTINLT RELSEVASRL DATA SEQUENCE S 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 990 R HA 0.000 nan 4.340 nan 0.000 0.208 990 R C 0.000 176.276 176.300 -0.040 0.000 0.893 990 R CA 0.000 56.101 56.100 0.002 0.000 0.921 990 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 991 R N 0.745 121.201 120.500 -0.074 0.000 2.686 991 R HA 0.555 4.980 4.340 0.142 0.000 0.286 991 R C -1.156 174.990 176.300 -0.256 0.000 0.969 991 R CA -0.745 55.227 56.100 -0.212 0.000 0.898 991 R CB 1.970 32.057 30.300 -0.354 0.000 1.183 991 R HN 0.231 nan 8.270 nan 0.000 0.456 992 Q N 2.853 122.506 119.800 -0.245 0.000 2.295 992 Q HA 0.267 4.692 4.340 0.142 0.000 0.259 992 Q C -1.608 174.243 176.000 -0.247 0.000 0.976 992 Q CA 0.290 56.002 55.803 -0.152 0.000 0.923 992 Q CB 0.513 29.202 28.738 -0.081 0.000 1.185 992 Q HN 0.375 nan 8.270 nan 0.000 0.410 993 F N 4.349 124.307 119.950 0.012 0.000 2.523 993 F HA 0.576 5.188 4.527 0.143 0.000 0.329 993 F C -1.739 174.071 175.800 0.017 0.000 1.061 993 F CA -2.341 55.666 58.000 0.013 0.000 0.967 993 F CB 1.211 40.219 39.000 0.012 0.000 1.218 993 F HN 0.569 nan 8.300 nan 0.000 0.480 994 P HA 0.314 nan 4.420 nan 0.000 0.270 994 P C -0.992 176.384 177.300 0.125 0.000 1.223 994 P CA 0.117 63.315 63.100 0.163 0.000 0.785 994 P CB 0.570 32.349 31.700 0.131 0.000 0.923 995 I N 1.044 121.677 120.570 0.104 0.000 2.619 995 I HA 0.517 4.773 4.170 0.142 0.000 0.292 995 I C -0.930 175.222 176.117 0.059 0.000 1.100 995 I CA -0.599 60.719 61.300 0.031 0.000 1.043 995 I CB 1.851 39.867 38.000 0.027 0.000 1.239 995 I HN 0.228 nan 8.210 nan 0.000 0.420 996 F N 4.723 124.479 119.950 -0.323 0.000 2.605 996 F HA 0.548 5.160 4.527 0.143 0.000 0.320 996 F C -1.239 174.196 175.800 -0.607 0.000 1.159 996 F CA -0.090 57.703 58.000 -0.345 0.000 0.999 996 F CB 1.417 40.239 39.000 -0.296 0.000 1.258 996 F HN 0.466 nan 8.300 nan 0.000 0.464 997 H N 2.993 121.687 119.070 -0.625 0.000 2.894 997 H HA 0.366 5.007 4.556 0.142 0.000 0.367 997 H C -1.574 173.423 175.328 -0.552 0.000 1.144 997 H CA -0.736 55.086 56.048 -0.377 0.000 1.180 997 H CB 1.508 31.195 29.762 -0.125 0.000 1.758 997 H HN 0.575 nan 8.280 nan 0.000 0.541 998 W N 1.321 122.657 121.300 0.059 0.000 2.303 998 W HA 0.533 5.279 4.660 0.142 0.000 0.334 998 W C 0.441 176.973 176.519 0.022 0.000 1.197 998 W CA -0.418 56.945 57.345 0.030 0.000 1.262 998 W CB 1.100 30.629 29.460 0.115 0.000 1.153 998 W HN 0.306 nan 8.180 nan 0.000 0.596 999 S N 0.652 116.493 115.700 0.234 0.000 2.568 999 S HA 0.610 5.165 4.470 0.142 0.000 0.302 999 S C 0.715 175.394 174.600 0.132 0.000 1.082 999 S CA -0.225 58.055 58.200 0.134 0.000 1.009 999 S CB 1.412 64.651 63.200 0.065 0.000 1.069 999 S HN 0.599 nan 8.310 nan 0.000 0.500 1000 A N 2.508 125.379 122.820 0.086 0.000 2.216 1000 A HA 0.302 4.707 4.320 0.142 0.000 0.214 1000 A C 1.485 179.102 177.584 0.054 0.000 1.160 1000 A CA 1.235 53.310 52.037 0.063 0.000 0.725 1000 A CB -0.629 18.396 19.000 0.041 0.000 0.784 1000 A HN 1.094 nan 8.150 nan 0.000 0.472 1001 A N -0.505 122.348 122.820 0.055 0.000 2.507 1001 A HA 0.386 4.791 4.320 0.142 0.000 0.270 1001 A C 0.539 178.155 177.584 0.053 0.000 1.318 1001 A CA 0.001 52.063 52.037 0.043 0.000 0.924 1001 A CB -0.411 18.607 19.000 0.030 0.000 1.061 1001 A HN 0.403 nan 8.150 nan 0.000 0.516 1002 N N -0.299 118.448 118.700 0.077 0.000 2.725 1002 N HA -0.158 4.667 4.740 0.142 0.000 0.249 1002 N C -0.395 175.167 175.510 0.088 0.000 1.103 1002 N CA 1.608 54.714 53.050 0.093 0.000 0.707 1002 N CB -1.325 37.203 38.487 0.069 0.000 1.043 1002 N HN 0.745 nan 8.380 nan 0.000 0.553 1003 K N -0.580 119.866 120.400 0.077 0.000 2.295 1003 K HA 0.772 5.178 4.320 0.142 0.000 0.239 1003 K C -0.362 176.253 176.600 0.024 0.000 0.991 1003 K CA -0.785 55.529 56.287 0.045 0.000 0.845 1003 K CB 2.633 35.143 32.500 0.017 0.000 1.197 1003 K HN -0.118 nan 8.250 nan 0.000 0.441 1004 V N 1.336 121.225 119.914 -0.042 0.000 2.962 1004 V HA 0.414 4.619 4.120 0.142 0.000 0.313 1004 V C -1.234 174.733 176.094 -0.210 0.000 1.099 1004 V CA -0.823 61.354 62.300 -0.206 0.000 0.971 1004 V CB 2.434 34.070 31.823 -0.311 0.000 1.028 1004 V HN 0.449 nan 8.190 nan 0.000 0.430 1005 V N 5.025 124.742 119.914 -0.328 0.000 2.487 1005 V HA 0.648 4.854 4.120 0.142 0.000 0.298 1005 V C -1.022 174.901 176.094 -0.285 0.000 1.028 1005 V CA -0.634 61.513 62.300 -0.256 0.000 0.860 1005 V CB 1.301 33.037 31.823 -0.145 0.000 0.991 1005 V HN 0.890 nan 8.190 nan 0.000 0.427 1006 Y N 2.141 122.305 120.300 -0.228 0.000 2.615 1006 Y HA 0.964 5.600 4.550 0.143 0.000 0.341 1006 Y C -0.521 175.359 175.900 -0.034 0.000 1.089 1006 Y CA -1.414 56.616 58.100 -0.117 0.000 1.049 1006 Y CB 1.982 40.464 38.460 0.036 0.000 1.296 1006 Y HN 0.757 nan 8.280 nan 0.000 0.470 1007 A N 1.457 124.373 122.820 0.160 0.000 2.408 1007 A HA 0.735 5.140 4.320 0.142 0.000 0.295 1007 A C -2.110 175.580 177.584 0.175 0.000 1.040 1007 A CA -0.759 51.334 52.037 0.094 0.000 0.707 1007 A CB 1.362 20.379 19.000 0.029 0.000 1.235 1007 A HN 0.830 nan 8.150 nan 0.000 0.418 1008 V N 3.740 123.756 119.914 0.170 0.000 2.409 1008 V HA 0.377 4.582 4.120 0.142 0.000 0.290 1008 V C -2.450 173.689 176.094 0.075 0.000 1.017 1008 V CA -1.611 60.768 62.300 0.132 0.000 0.841 1008 V CB 1.345 33.256 31.823 0.146 0.000 1.003 1008 V HN 0.807 nan 8.190 nan 0.000 0.426 1009 P HA 0.257 nan 4.420 nan 0.000 0.264 1009 P C -1.579 175.728 177.300 0.012 0.000 1.183 1009 P CA 0.103 63.213 63.100 0.016 0.000 0.763 1009 P CB -0.106 31.587 31.700 -0.010 0.000 0.807 1010 P HA 0.396 nan 4.420 nan 0.000 0.269 1010 P C 0.178 177.476 177.300 -0.003 0.000 1.215 1010 P CA 0.021 63.123 63.100 0.004 0.000 0.780 1010 P CB 0.112 31.812 31.700 0.000 0.000 0.898 1025 Q N 2.203 121.998 119.800 -0.009 0.000 2.333 1025 Q HA 0.674 5.100 4.340 0.142 0.000 0.265 1025 Q C -0.424 175.567 176.000 -0.016 0.000 0.989 1025 Q CA -0.180 55.618 55.803 -0.008 0.000 0.842 1025 Q CB 1.677 30.413 28.738 -0.003 0.000 1.262 1025 Q HN 0.747 nan 8.270 nan 0.000 0.451 1026 E N 3.802 123.990 120.200 -0.020 0.000 2.259 1026 E HA 0.320 4.756 4.350 0.142 0.000 0.281 1026 E C -0.501 176.056 176.600 -0.073 0.000 1.027 1026 E CA -0.315 56.061 56.400 -0.041 0.000 0.838 1026 E CB 1.120 30.796 29.700 -0.039 0.000 1.066 1026 E HN 0.608 nan 8.360 nan 0.000 0.401 1027 I N 3.448 123.960 120.570 -0.096 0.000 2.377 1027 I HA 0.253 4.509 4.170 0.142 0.000 0.293 1027 I C -0.053 175.931 176.117 -0.222 0.000 0.987 1027 I CA -0.499 60.712 61.300 -0.149 0.000 1.185 1027 I CB 1.099 39.039 38.000 -0.100 0.000 1.341 1027 I HN 0.222 nan 8.210 nan 0.000 0.455 1028 K N 5.198 125.354 120.400 -0.407 0.000 2.316 1028 K HA 0.722 5.127 4.320 0.142 0.000 0.251 1028 K C -1.364 174.981 176.600 -0.425 0.000 0.934 1028 K CA -0.810 55.203 56.287 -0.457 0.000 0.802 1028 K CB 3.002 35.110 32.500 -0.654 0.000 1.171 1028 K HN 0.234 nan 8.250 nan 0.000 0.426 1029 V N 1.952 121.727 119.914 -0.232 0.000 2.409 1029 V HA 0.355 4.560 4.120 0.142 0.000 0.290 1029 V C -0.451 175.603 176.094 -0.067 0.000 1.017 1029 V CA -0.551 61.663 62.300 -0.143 0.000 0.841 1029 V CB 1.577 33.341 31.823 -0.098 0.000 1.003 1029 V HN 0.888 nan 8.190 nan 0.000 0.426 1030 T N 6.146 120.691 114.554 -0.015 0.000 2.896 1030 T HA 0.643 5.078 4.350 0.142 0.000 0.297 1030 T C -2.981 171.750 174.700 0.051 0.000 1.108 1030 T CA -2.116 60.009 62.100 0.041 0.000 1.004 1030 T CB 2.485 71.418 68.868 0.109 0.000 1.159 1030 T HN 0.346 nan 8.240 nan 0.000 0.499 1031 P HA 0.214 nan 4.420 nan 0.000 0.268 1031 P C 0.955 178.309 177.300 0.089 0.000 1.205 1031 P CA -0.117 63.022 63.100 0.063 0.000 0.771 1031 P CB 0.327 32.061 31.700 0.056 0.000 0.858 1032 I N 2.371 123.008 120.570 0.111 0.000 2.567 1032 I HA -0.262 3.993 4.170 0.142 0.000 0.257 1032 I C 0.848 177.058 176.117 0.154 0.000 1.184 1032 I CA 1.767 63.165 61.300 0.163 0.000 1.451 1032 I CB -0.078 38.060 38.000 0.230 0.000 1.089 1032 I HN 0.328 nan 8.210 nan 0.000 0.441 1033 D N -0.480 119.990 120.400 0.117 0.000 2.363 1033 D HA -0.190 4.535 4.640 0.142 0.000 0.220 1033 D C 1.611 177.963 176.300 0.086 0.000 0.994 1033 D CA 0.426 54.486 54.000 0.101 0.000 0.890 1033 D CB -0.299 40.550 40.800 0.080 0.000 0.906 1033 D HN 0.378 nan 8.370 nan 0.000 0.530 1034 Q N -0.543 119.308 119.800 0.085 0.000 2.403 1034 Q HA 0.142 4.568 4.340 0.142 0.000 0.203 1034 Q C 0.927 176.967 176.000 0.067 0.000 0.932 1034 Q CA 0.259 56.105 55.803 0.073 0.000 0.945 1034 Q CB 0.509 29.295 28.738 0.079 0.000 1.045 1034 Q HN 0.382 nan 8.270 nan 0.000 0.511 1035 I N -0.859 119.762 120.570 0.084 0.000 4.033 1035 I HA 0.158 4.413 4.170 0.142 0.000 0.296 1035 I C 0.345 176.519 176.117 0.094 0.000 1.210 1035 I CA 0.198 61.540 61.300 0.071 0.000 1.341 1035 I CB 0.874 38.938 38.000 0.107 0.000 1.369 1035 I HN -0.066 nan 8.210 nan 0.000 0.453 1036 I N 0.860 121.514 120.570 0.139 0.000 2.465 1036 I HA 0.467 4.722 4.170 0.142 0.000 0.291 1036 I C 0.007 176.197 176.117 0.121 0.000 1.014 1036 I CA -0.527 60.863 61.300 0.149 0.000 1.093 1036 I CB 1.480 39.614 38.000 0.223 0.000 1.267 1036 I HN -0.087 nan 8.210 nan 0.000 0.431 1037 K N 6.423 126.885 120.400 0.103 0.000 2.339 1037 K HA 0.696 5.101 4.320 0.142 0.000 0.264 1037 K C -2.783 173.877 176.600 0.101 0.000 0.986 1037 K CA -1.596 54.745 56.287 0.089 0.000 0.866 1037 K CB 0.391 32.931 32.500 0.068 0.000 1.103 1037 K HN 0.376 nan 8.250 nan 0.000 0.441 1038 P HA 0.101 nan 4.420 nan 0.000 0.267 1038 P C -0.501 176.857 177.300 0.097 0.000 1.205 1038 P CA -0.456 62.699 63.100 0.092 0.000 0.765 1038 P CB 0.462 32.197 31.700 0.059 0.000 0.828 1039 N N 1.429 120.207 118.700 0.130 0.000 2.492 1039 N HA -0.022 4.804 4.740 0.142 0.000 0.260 1039 N C 0.011 175.579 175.510 0.098 0.000 1.215 1039 N CA 0.071 53.201 53.050 0.134 0.000 0.923 1039 N CB 0.232 38.850 38.487 0.219 0.000 1.092 1039 N HN 0.201 nan 8.380 nan 0.000 0.448 1040 D N 0.955 121.411 120.400 0.093 0.000 2.310 1040 D HA -0.102 4.623 4.640 0.142 0.000 0.212 1040 D C 1.622 178.018 176.300 0.161 0.000 0.965 1040 D CA 0.649 54.709 54.000 0.100 0.000 0.879 1040 D CB -0.035 40.807 40.800 0.071 0.000 0.921 1040 D HN 0.614 nan 8.370 nan 0.000 0.510 1041 M N -0.033 119.669 119.600 0.170 0.000 2.084 1041 M HA -0.184 4.381 4.480 0.142 0.000 0.259 1041 M C 1.777 178.272 176.300 0.325 0.000 1.072 1041 M CA 1.534 57.003 55.300 0.282 0.000 1.107 1041 M CB -0.135 32.607 32.600 0.238 0.000 1.299 1041 M HN 0.036 nan 8.290 nan 0.000 0.413 1042 L N 0.460 121.748 121.223 0.107 0.000 2.127 1042 L HA -0.226 4.200 4.340 0.142 0.000 0.211 1042 L C 2.940 179.876 176.870 0.109 0.000 1.089 1042 L CA 1.733 56.577 54.840 0.007 0.000 0.757 1042 L CB -1.085 40.822 42.059 -0.253 0.000 0.899 1042 L HN 0.400 nan 8.230 nan 0.000 0.434 1043 K N 0.025 120.494 120.400 0.114 0.000 2.155 1043 K HA -0.104 4.301 4.320 0.142 0.000 0.203 1043 K C 2.168 178.864 176.600 0.160 0.000 1.052 1043 K CA 1.517 57.868 56.287 0.107 0.000 0.948 1043 K CB -0.855 31.694 32.500 0.082 0.000 0.728 1043 K HN 0.554 nan 8.250 nan 0.000 0.448 1044 S N -0.719 115.149 115.700 0.279 0.000 2.478 1044 S HA 0.197 4.752 4.470 0.142 0.000 0.222 1044 S C 0.753 175.510 174.600 0.260 0.000 1.008 1044 S CA -0.433 57.983 58.200 0.359 0.000 0.928 1044 S CB -0.517 62.990 63.200 0.513 0.000 0.781 1044 S HN 0.408 nan 8.310 nan 0.000 0.518 1045 F N 5.090 125.007 119.950 -0.055 0.000 2.604 1045 F HA 0.253 4.866 4.527 0.143 0.000 0.393 1045 F C -2.535 172.990 175.800 -0.458 0.000 1.043 1045 F CA -2.378 55.167 58.000 -0.759 0.000 1.227 1045 F CB 0.100 38.797 39.000 -0.506 0.000 1.016 1045 F HN 0.033 nan 8.300 nan 0.000 0.556 1046 P HA 0.162 nan 4.420 nan 0.000 0.252 1046 P C 0.494 177.393 177.300 -0.668 0.000 1.635 1046 P CA 0.860 63.530 63.100 -0.717 0.000 1.206 1046 P CB -0.392 30.893 31.700 -0.691 0.000 1.911 1047 G N 5.148 113.734 108.800 -0.356 0.000 2.561 1047 G HA2 -0.225 3.820 3.960 0.142 0.000 0.360 1047 G HA3 -0.225 3.820 3.960 0.142 0.000 0.360 1047 G C -2.432 172.292 174.900 -0.294 0.000 1.328 1047 G CA -0.889 44.074 45.100 -0.229 0.000 0.918 1047 G HN 0.271 nan 8.290 nan 0.000 0.542 1048 P HA 0.400 nan 4.420 nan 0.000 0.276 1048 P C 0.416 177.420 177.300 -0.493 0.000 1.264 1048 P CA -0.341 62.345 63.100 -0.689 0.000 0.769 1048 P CB 0.401 31.393 31.700 -1.179 0.000 0.840 1049 L N 2.220 123.260 121.223 -0.304 0.000 2.482 1049 L HA 0.220 4.645 4.340 0.142 0.000 0.273 1049 L C 1.913 178.690 176.870 -0.155 0.000 1.228 1049 L CA 0.694 55.352 54.840 -0.304 0.000 0.827 1049 L CB -0.617 41.301 42.059 -0.234 0.000 1.099 1049 L HN 0.710 nan 8.230 nan 0.000 0.494 1050 G N 0.773 109.615 108.800 0.069 0.000 2.458 1050 G HA2 -0.355 3.690 3.960 0.142 0.000 0.237 1050 G HA3 -0.355 3.690 3.960 0.142 0.000 0.237 1050 G C 0.521 175.392 174.900 -0.048 0.000 1.113 1050 G CA 0.387 45.574 45.100 0.145 0.000 0.655 1050 G HN 0.874 nan 8.290 nan 0.000 0.513 1051 S N 1.181 116.660 115.700 -0.370 0.000 2.575 1051 S HA 0.505 5.060 4.470 0.142 0.000 0.295 1051 S C 1.502 176.029 174.600 -0.122 0.000 1.267 1051 S CA 0.711 58.711 58.200 -0.334 0.000 1.074 1051 S CB 1.354 64.251 63.200 -0.504 0.000 0.829 1051 S HN 1.858 nan 8.310 nan 0.000 0.497 1052 A N 3.495 126.297 122.820 -0.029 0.000 2.238 1052 A HA 0.311 4.717 4.320 0.142 0.000 0.208 1052 A C 2.015 179.593 177.584 -0.011 0.000 1.177 1052 A CA 0.765 52.810 52.037 0.014 0.000 0.804 1052 A CB -0.934 18.090 19.000 0.041 0.000 0.823 1052 A HN 1.200 nan 8.150 nan 0.000 0.482 1053 K N -0.800 119.570 120.400 -0.049 0.000 2.589 1053 K HA 0.543 4.948 4.320 0.142 0.000 0.192 1053 K C 0.595 177.152 176.600 -0.071 0.000 1.029 1053 K CA 0.945 57.200 56.287 -0.054 0.000 1.031 1053 K CB -1.939 30.520 32.500 -0.069 0.000 0.821 1053 K HN 1.030 nan 8.250 nan 0.000 0.502 1054 L N 0.398 121.577 121.223 -0.074 0.000 2.326 1054 L HA 0.822 5.247 4.340 0.142 0.000 0.278 1054 L C 0.612 177.462 176.870 -0.033 0.000 1.092 1054 L CA -0.516 54.264 54.840 -0.101 0.000 0.810 1054 L CB -0.084 41.884 42.059 -0.153 0.000 1.153 1054 L HN 0.585 nan 8.230 nan 0.000 0.439 1055 K N 2.030 122.400 120.400 -0.050 0.000 2.274 1055 K HA 0.463 4.869 4.320 0.142 0.000 0.262 1055 K C 0.859 177.463 176.600 0.007 0.000 0.961 1055 K CA -0.099 56.188 56.287 0.001 0.000 0.833 1055 K CB 0.952 33.449 32.500 -0.005 0.000 1.102 1055 K HN 0.948 nan 8.250 nan 0.000 0.436 1056 K N 1.117 121.574 120.400 0.094 0.000 2.442 1056 K HA -0.193 4.212 4.320 0.142 0.000 0.199 1056 K C 2.296 178.951 176.600 0.091 0.000 1.044 1056 K CA 2.076 58.452 56.287 0.147 0.000 0.941 1056 K CB -0.299 32.352 32.500 0.251 0.000 0.759 1056 K HN 0.688 nan 8.250 nan 0.000 0.472 1057 K N 1.561 121.994 120.400 0.054 0.000 1.965 1057 K HA -0.181 4.224 4.320 0.142 0.000 0.214 1057 K C 1.570 178.200 176.600 0.049 0.000 1.046 1057 K CA 1.952 58.269 56.287 0.050 0.000 0.944 1057 K CB -1.286 31.233 32.500 0.032 0.000 0.726 1057 K HN 0.335 nan 8.250 nan 0.000 0.441 1058 D N 0.604 121.012 120.400 0.014 0.000 2.170 1058 D HA -0.189 4.537 4.640 0.142 0.000 0.193 1058 D C 1.907 178.240 176.300 0.054 0.000 1.004 1058 D CA 1.681 55.689 54.000 0.013 0.000 0.860 1058 D CB -0.432 40.330 40.800 -0.062 0.000 0.931 1058 D HN 0.278 nan 8.370 nan 0.000 0.448 1059 L N 1.057 122.278 121.223 -0.003 0.000 2.005 1059 L HA -0.085 4.340 4.340 0.142 0.000 0.207 1059 L C 2.697 179.707 176.870 0.233 0.000 1.072 1059 L CA 2.765 57.633 54.840 0.047 0.000 0.744 1059 L CB -1.403 40.601 42.059 -0.092 0.000 0.895 1059 L HN 0.173 nan 8.230 nan 0.000 0.433 1060 T N -1.395 113.269 114.554 0.184 0.000 2.759 1060 T HA -0.308 4.127 4.350 0.142 0.000 0.269 1060 T C 2.052 176.861 174.700 0.181 0.000 1.042 1060 T CA 2.149 64.367 62.100 0.196 0.000 1.140 1060 T CB -0.480 68.480 68.868 0.153 0.000 0.864 1060 T HN 0.313 nan 8.240 nan 0.000 0.455 1061 K N -1.121 119.375 120.400 0.159 0.000 2.062 1061 K HA -0.068 4.338 4.320 0.142 0.000 0.205 1061 K C 2.116 178.810 176.600 0.156 0.000 1.051 1061 K CA 1.027 57.389 56.287 0.126 0.000 0.941 1061 K CB -0.286 32.273 32.500 0.099 0.000 0.719 1061 K HN 0.695 nan 8.250 nan 0.000 0.440 1062 W N 1.565 122.890 121.300 0.041 0.000 2.363 1062 W HA -0.194 4.550 4.660 0.141 0.000 0.296 1062 W C 1.761 178.330 176.519 0.085 0.000 1.212 1062 W CA 1.603 58.983 57.345 0.058 0.000 1.260 1062 W CB 0.009 29.506 29.460 0.061 0.000 1.131 1062 W HN -0.005 nan 8.180 nan 0.000 0.530 1063 M N 0.439 120.228 119.600 0.316 0.000 2.132 1063 M HA -0.134 4.432 4.480 0.142 0.000 0.263 1063 M C 2.430 178.677 176.300 -0.088 0.000 1.065 1063 M CA 2.272 57.654 55.300 0.136 0.000 1.122 1063 M CB -1.550 31.274 32.600 0.375 0.000 1.365 1063 M HN 0.254 nan 8.290 nan 0.000 0.411 1064 E N 0.873 121.064 120.200 -0.015 0.000 2.033 1064 E HA -0.193 4.243 4.350 0.142 0.000 0.199 1064 E C 1.842 178.348 176.600 -0.156 0.000 1.011 1064 E CA 2.443 58.809 56.400 -0.056 0.000 0.815 1064 E CB -1.722 27.973 29.700 -0.007 0.000 0.755 1064 E HN 0.590 nan 8.360 nan 0.000 0.451 1065 T N 0.535 114.980 114.554 -0.182 0.000 2.607 1065 T HA -0.202 4.233 4.350 0.142 0.000 0.267 1065 T C 2.308 176.792 174.700 -0.360 0.000 1.049 1065 T CA 2.314 64.275 62.100 -0.231 0.000 1.162 1065 T CB -0.808 67.929 68.868 -0.219 0.000 0.863 1065 T HN 0.573 nan 8.240 nan 0.000 0.424 1066 T N 2.213 116.401 114.554 -0.609 0.000 2.652 1066 T HA -0.048 4.388 4.350 0.142 0.000 0.267 1066 T C 2.023 176.341 174.700 -0.636 0.000 1.039 1066 T CA 1.266 62.918 62.100 -0.748 0.000 1.153 1066 T CB -0.564 67.543 68.868 -1.268 0.000 0.863 1066 T HN 0.326 nan 8.240 nan 0.000 0.428 1067 I N 1.577 121.787 120.570 -0.600 0.000 2.208 1067 I HA -0.214 4.042 4.170 0.142 0.000 0.245 1067 I C 3.073 179.009 176.117 -0.302 0.000 1.097 1067 I CA 1.725 62.729 61.300 -0.494 0.000 1.363 1067 I CB -0.612 37.219 38.000 -0.282 0.000 1.051 1067 I HN 0.287 nan 8.210 nan 0.000 0.413 1068 K N 1.099 121.360 120.400 -0.232 0.000 1.973 1068 K HA -0.217 4.188 4.320 0.142 0.000 0.212 1068 K C 2.269 178.776 176.600 -0.155 0.000 1.047 1068 K CA 2.110 58.304 56.287 -0.155 0.000 0.937 1068 K CB -1.605 30.822 32.500 -0.122 0.000 0.721 1068 K HN 0.552 nan 8.250 nan 0.000 0.440 1069 S N 1.036 116.628 115.700 -0.181 0.000 2.374 1069 S HA -0.169 4.386 4.470 0.142 0.000 0.227 1069 S C 2.213 176.727 174.600 -0.144 0.000 1.037 1069 S CA 1.575 59.686 58.200 -0.148 0.000 1.024 1069 S CB -0.621 62.485 63.200 -0.157 0.000 0.861 1069 S HN 0.482 nan 8.310 nan 0.000 0.456 1070 I N 2.633 123.078 120.570 -0.209 0.000 2.142 1070 I HA -0.204 4.051 4.170 0.142 0.000 0.240 1070 I C 3.083 179.137 176.117 -0.105 0.000 1.078 1070 I CA 1.675 62.870 61.300 -0.174 0.000 1.343 1070 I CB -0.674 37.149 38.000 -0.294 0.000 1.046 1070 I HN 0.531 nan 8.210 nan 0.000 0.405 1071 S N -0.002 115.629 115.700 -0.115 0.000 2.383 1071 S HA -0.232 4.323 4.470 0.142 0.000 0.227 1071 S C 1.856 176.430 174.600 -0.044 0.000 1.026 1071 S CA 1.310 59.476 58.200 -0.057 0.000 0.981 1071 S CB -0.440 62.728 63.200 -0.054 0.000 0.818 1071 S HN 0.428 nan 8.310 nan 0.000 0.472 1072 E N 2.173 122.337 120.200 -0.059 0.000 2.051 1072 E HA -0.126 4.309 4.350 0.142 0.000 0.192 1072 E C 2.465 179.045 176.600 -0.034 0.000 0.991 1072 E CA 1.509 57.883 56.400 -0.044 0.000 0.799 1072 E CB -0.695 28.974 29.700 -0.051 0.000 0.748 1072 E HN 0.822 nan 8.360 nan 0.000 0.449 1073 N N -0.305 118.371 118.700 -0.040 0.000 2.409 1073 N HA 0.027 4.852 4.740 0.142 0.000 0.179 1073 N C 0.687 176.187 175.510 -0.016 0.000 1.032 1073 N CA 1.407 54.440 53.050 -0.027 0.000 0.898 1073 N CB -0.250 38.218 38.487 -0.031 0.000 0.971 1073 N HN 0.330 nan 8.380 nan 0.000 0.441 1074 E N 0.133 120.324 120.200 -0.015 0.000 2.923 1074 E HA 0.486 4.921 4.350 0.142 0.000 0.266 1074 E C 0.841 177.445 176.600 0.007 0.000 1.157 1074 E CA 0.123 56.524 56.400 0.001 0.000 0.795 1074 E CB -0.389 29.317 29.700 0.011 0.000 1.454 1074 E HN 0.626 nan 8.360 nan 0.000 0.386 1075 S N -0.413 115.290 115.700 0.004 0.000 2.402 1075 S HA -0.247 4.308 4.470 0.142 0.000 0.233 1075 S C 2.252 176.864 174.600 0.019 0.000 1.030 1075 S CA 1.945 60.149 58.200 0.006 0.000 1.003 1075 S CB -0.491 62.710 63.200 0.002 0.000 0.813 1075 S HN 1.243 nan 8.310 nan 0.000 0.477 1076 S N 0.845 116.559 115.700 0.023 0.000 2.453 1076 S HA 0.009 4.565 4.470 0.142 0.000 0.231 1076 S C 0.830 175.460 174.600 0.051 0.000 1.005 1076 S CA 0.498 58.717 58.200 0.031 0.000 0.949 1076 S CB -1.211 62.005 63.200 0.026 0.000 0.774 1076 S HN 0.450 nan 8.310 nan 0.000 0.510 1077 T N 3.903 118.495 114.554 0.064 0.000 2.829 1077 T HA 0.065 4.501 4.350 0.142 0.000 0.293 1077 T C -0.300 174.478 174.700 0.130 0.000 0.970 1077 T CA 0.062 62.226 62.100 0.108 0.000 1.168 1077 T CB 0.274 69.220 68.868 0.130 0.000 0.911 1077 T HN 0.301 nan 8.240 nan 0.000 0.535 1078 D N 3.771 124.257 120.400 0.144 0.000 2.382 1078 D HA 0.014 4.740 4.640 0.142 0.000 0.259 1078 D C 0.636 177.067 176.300 0.219 0.000 1.224 1078 D CA -0.208 53.877 54.000 0.142 0.000 0.894 1078 D CB 0.611 41.482 40.800 0.119 0.000 1.127 1078 D HN 0.331 nan 8.370 nan 0.000 0.487 1079 M N 2.900 122.620 119.600 0.200 0.000 2.383 1079 M HA 0.011 4.577 4.480 0.142 0.000 0.247 1079 M C 1.632 178.063 176.300 0.218 0.000 1.117 1079 M CA -0.062 55.418 55.300 0.300 0.000 0.995 1079 M CB -0.545 32.178 32.600 0.206 0.000 1.480 1079 M HN 0.238 nan 8.290 nan 0.000 0.485 1080 T N 1.974 116.598 114.554 0.117 0.000 2.597 1080 T HA -0.161 4.275 4.350 0.142 0.000 0.267 1080 T C 1.937 176.636 174.700 -0.002 0.000 1.053 1080 T CA 1.698 63.833 62.100 0.058 0.000 1.165 1080 T CB -0.192 68.707 68.868 0.051 0.000 0.863 1080 T HN 0.350 nan 8.240 nan 0.000 0.427 1081 I N -0.964 119.517 120.570 -0.148 0.000 2.226 1081 I HA -0.188 4.068 4.170 0.142 0.000 0.245 1081 I C 2.348 178.218 176.117 -0.411 0.000 1.100 1081 I CA 1.422 62.458 61.300 -0.441 0.000 1.374 1081 I CB -0.389 37.033 38.000 -0.964 0.000 1.057 1081 I HN 0.357 nan 8.210 nan 0.000 0.413 1082 W N 1.168 122.341 121.300 -0.211 0.000 2.315 1082 W HA -0.286 4.461 4.660 0.145 0.000 0.323 1082 W C 2.833 179.368 176.519 0.028 0.000 1.233 1082 W CA 1.269 58.622 57.345 0.014 0.000 1.267 1082 W CB -0.426 29.129 29.460 0.157 0.000 1.160 1082 W HN 0.128 nan 8.180 nan 0.000 0.474 1083 Q N -0.629 119.341 119.800 0.284 0.000 2.172 1083 Q HA -0.176 4.249 4.340 0.142 0.000 0.200 1083 Q C 2.123 178.204 176.000 0.134 0.000 0.964 1083 Q CA 1.229 57.144 55.803 0.187 0.000 0.855 1083 Q CB -0.502 28.317 28.738 0.135 0.000 0.918 1083 Q HN 0.265 nan 8.270 nan 0.000 0.444 1084 L N 0.550 121.825 121.223 0.086 0.000 2.017 1084 L HA -0.155 4.271 4.340 0.142 0.000 0.208 1084 L C 1.857 178.788 176.870 0.101 0.000 1.073 1084 L CA 1.680 56.564 54.840 0.073 0.000 0.745 1084 L CB -0.459 41.614 42.059 0.024 0.000 0.894 1084 L HN 0.199 nan 8.230 nan 0.000 0.432 1085 L N -0.530 120.741 121.223 0.080 0.000 2.131 1085 L HA -0.215 4.210 4.340 0.142 0.000 0.210 1085 L C 2.601 179.606 176.870 0.226 0.000 1.092 1085 L CA 1.567 56.500 54.840 0.155 0.000 0.759 1085 L CB -0.549 41.579 42.059 0.115 0.000 0.903 1085 L HN 0.476 nan 8.230 nan 0.000 0.435 1086 E N 0.239 120.579 120.200 0.233 0.000 2.051 1086 E HA -0.246 4.190 4.350 0.142 0.000 0.192 1086 E C 2.354 179.064 176.600 0.184 0.000 0.991 1086 E CA 1.249 57.791 56.400 0.236 0.000 0.799 1086 E CB -0.004 29.828 29.700 0.221 0.000 0.748 1086 E HN 0.399 nan 8.360 nan 0.000 0.449 1087 M N 0.435 120.123 119.600 0.148 0.000 2.082 1087 M HA -0.226 4.340 4.480 0.142 0.000 0.258 1087 M C 2.285 178.656 176.300 0.119 0.000 1.071 1087 M CA 1.839 57.207 55.300 0.114 0.000 1.103 1087 M CB -0.309 32.346 32.600 0.092 0.000 1.307 1087 M HN -0.027 nan 8.290 nan 0.000 0.409 1088 K N 0.096 120.579 120.400 0.138 0.000 2.280 1088 K HA -0.158 4.248 4.320 0.142 0.000 0.202 1088 K C 1.773 178.486 176.600 0.188 0.000 1.047 1088 K CA 0.915 57.288 56.287 0.143 0.000 0.942 1088 K CB -0.348 32.257 32.500 0.176 0.000 0.739 1088 K HN 0.187 nan 8.250 nan 0.000 0.457 1089 L N 1.330 122.686 121.223 0.222 0.000 2.291 1089 L HA -0.038 4.387 4.340 0.142 0.000 0.214 1089 L C 0.999 178.037 176.870 0.281 0.000 1.120 1089 L CA 1.545 56.558 54.840 0.288 0.000 0.799 1089 L CB -0.155 42.088 42.059 0.306 0.000 0.925 1089 L HN 0.097 nan 8.230 nan 0.000 0.446 1090 N N -0.564 118.248 118.700 0.187 0.000 2.373 1090 N HA -0.032 4.793 4.740 0.142 0.000 0.181 1090 N C 0.266 175.819 175.510 0.072 0.000 1.082 1090 N CA 0.775 53.901 53.050 0.127 0.000 0.885 1090 N CB 0.160 38.707 38.487 0.100 0.000 0.977 1090 N HN 0.176 nan 8.380 nan 0.000 0.462 1091 D N -0.295 120.147 120.400 0.069 0.000 2.880 1091 D HA -0.176 4.549 4.640 0.142 0.000 0.198 1091 D C -0.110 176.176 176.300 -0.023 0.000 1.059 1091 D CA 1.104 55.108 54.000 0.006 0.000 1.019 1091 D CB -1.099 39.677 40.800 -0.040 0.000 1.112 1091 D HN 0.354 nan 8.370 nan 0.000 0.424 1092 K N 0.400 120.797 120.400 -0.005 0.000 2.968 1092 K HA 0.247 4.652 4.320 0.142 0.000 0.249 1092 K C -0.230 176.346 176.600 -0.040 0.000 1.062 1092 K CA -0.039 56.237 56.287 -0.017 0.000 1.215 1092 K CB 0.667 33.170 32.500 0.006 0.000 1.097 1092 K HN 0.028 nan 8.250 nan 0.000 0.462 1093 V N 1.912 121.776 119.914 -0.083 0.000 2.322 1093 V HA 0.103 4.308 4.120 0.142 0.000 0.258 1093 V C 0.279 176.216 176.094 -0.261 0.000 1.074 1093 V CA -0.526 61.686 62.300 -0.148 0.000 0.909 1093 V CB -0.155 31.560 31.823 -0.180 0.000 1.090 1093 V HN 0.472 nan 8.190 nan 0.000 0.486 1094 N N 2.765 121.360 118.700 -0.175 0.000 2.421 1094 N HA 0.262 5.087 4.740 0.142 0.000 0.285 1094 N C 0.462 175.919 175.510 -0.089 0.000 1.027 1094 N CA -0.617 52.325 53.050 -0.179 0.000 0.918 1094 N CB 0.505 38.964 38.487 -0.047 0.000 1.152 1094 N HN 0.691 nan 8.380 nan 0.000 0.485 1095 W N 0.811 122.154 121.300 0.071 0.000 2.305 1095 W HA -0.194 4.552 4.660 0.144 0.000 0.308 1095 W C 2.760 179.327 176.519 0.080 0.000 1.226 1095 W CA 2.120 59.515 57.345 0.084 0.000 1.253 1095 W CB 0.015 29.531 29.460 0.093 0.000 1.146 1095 W HN 0.819 nan 8.180 nan 0.000 0.507 1096 K N 0.980 121.550 120.400 0.283 0.000 2.103 1096 K HA -0.231 4.174 4.320 0.142 0.000 0.207 1096 K C 1.221 177.906 176.600 0.141 0.000 1.048 1096 K CA 2.006 58.405 56.287 0.186 0.000 0.930 1096 K CB -1.625 30.953 32.500 0.130 0.000 0.716 1096 K HN 0.603 nan 8.250 nan 0.000 0.444 1097 N N 0.133 118.900 118.700 0.112 0.000 2.171 1097 N HA 0.033 4.859 4.740 0.142 0.000 0.184 1097 N C 1.902 177.475 175.510 0.105 0.000 1.021 1097 N CA 1.321 54.420 53.050 0.082 0.000 0.854 1097 N CB -0.195 38.321 38.487 0.049 0.000 0.994 1097 N HN 0.344 nan 8.380 nan 0.000 0.426 1098 I N 0.540 121.196 120.570 0.145 0.000 2.208 1098 I HA -0.287 3.969 4.170 0.142 0.000 0.245 1098 I C 2.612 178.835 176.117 0.175 0.000 1.097 1098 I CA 0.964 62.370 61.300 0.177 0.000 1.363 1098 I CB -0.433 37.734 38.000 0.278 0.000 1.051 1098 I HN 0.229 nan 8.210 nan 0.000 0.413 1099 S N 1.230 117.050 115.700 0.201 0.000 2.353 1099 S HA -0.271 4.284 4.470 0.142 0.000 0.222 1099 S C 2.404 177.084 174.600 0.134 0.000 1.035 1099 S CA 2.363 60.669 58.200 0.177 0.000 1.025 1099 S CB -0.307 63.006 63.200 0.189 0.000 0.902 1099 S HN 0.434 nan 8.310 nan 0.000 0.440 1100 K N 0.861 121.323 120.400 0.104 0.000 2.283 1100 K HA 0.120 4.526 4.320 0.142 0.000 0.202 1100 K C 2.004 178.619 176.600 0.024 0.000 1.048 1100 K CA 1.410 57.728 56.287 0.052 0.000 0.948 1100 K CB -1.172 31.350 32.500 0.037 0.000 0.742 1100 K HN 0.490 nan 8.250 nan 0.000 0.458 1101 L N 0.099 121.352 121.223 0.049 0.000 2.072 1101 L HA 0.107 4.532 4.340 0.142 0.000 0.205 1101 L C 2.303 179.184 176.870 0.018 0.000 1.079 1101 L CA 1.377 56.238 54.840 0.035 0.000 0.752 1101 L CB -0.217 41.877 42.059 0.059 0.000 0.906 1101 L HN 0.369 nan 8.230 nan 0.000 0.436 1102 L N -1.840 119.403 121.223 0.033 0.000 2.027 1102 L HA -0.120 4.306 4.340 0.142 0.000 0.206 1102 L C 0.246 177.119 176.870 0.005 0.000 1.074 1102 L CA 1.113 55.940 54.840 -0.022 0.000 0.745 1102 L CB -0.283 41.768 42.059 -0.013 0.000 0.898 1102 L HN 0.335 nan 8.230 nan 0.000 0.433 1103 Y N -0.415 119.842 120.300 -0.073 0.000 2.441 1103 Y HA 0.331 4.968 4.550 0.145 0.000 0.334 1103 Y C -0.711 175.178 175.900 -0.018 0.000 1.061 1103 Y CA -1.509 56.553 58.100 -0.064 0.000 1.032 1103 Y CB 1.003 39.423 38.460 -0.067 0.000 1.266 1103 Y HN -0.125 nan 8.280 nan 0.000 0.441 1104 N N 2.854 121.135 118.700 -0.699 0.000 2.439 1104 N HA 0.105 4.931 4.740 0.142 0.000 0.243 1104 N C 0.481 175.626 175.510 -0.608 0.000 1.088 1104 N CA 0.577 53.339 53.050 -0.480 0.000 0.940 1104 N CB 1.097 39.394 38.487 -0.317 0.000 1.180 1104 N HN 0.675 nan 8.380 nan 0.000 0.505 1105 S N 1.805 117.385 115.700 -0.200 0.000 2.507 1105 S HA -0.086 4.470 4.470 0.142 0.000 0.235 1105 S C 0.920 175.515 174.600 -0.008 0.000 0.988 1105 S CA 0.434 58.652 58.200 0.031 0.000 0.944 1105 S CB 0.021 63.310 63.200 0.148 0.000 0.762 1105 S HN 0.460 nan 8.310 nan 0.000 0.526 1106 D N 2.403 122.765 120.400 -0.063 0.000 2.182 1106 D HA -0.108 4.617 4.640 0.142 0.000 0.201 1106 D C 1.783 178.072 176.300 -0.018 0.000 0.986 1106 D CA 1.224 55.206 54.000 -0.030 0.000 0.847 1106 D CB -0.394 40.382 40.800 -0.040 0.000 0.942 1106 D HN 0.684 nan 8.370 nan 0.000 0.467 1107 E N -0.264 119.905 120.200 -0.052 0.000 2.267 1107 E HA -0.145 4.290 4.350 0.142 0.000 0.197 1107 E C 1.463 178.093 176.600 0.050 0.000 0.998 1107 E CA 0.377 56.769 56.400 -0.013 0.000 0.830 1107 E CB 0.081 29.755 29.700 -0.043 0.000 0.751 1107 E HN 0.191 nan 8.360 nan 0.000 0.491 1108 L N -0.018 121.250 121.223 0.075 0.000 2.307 1108 L HA -0.009 4.417 4.340 0.142 0.000 0.211 1108 L C 1.946 178.898 176.870 0.135 0.000 1.099 1108 L CA 0.952 55.867 54.840 0.125 0.000 0.816 1108 L CB -0.258 41.879 42.059 0.130 0.000 0.952 1108 L HN 0.147 nan 8.230 nan 0.000 0.455 1109 L N -1.386 119.884 121.223 0.079 0.000 2.131 1109 L HA -0.236 4.189 4.340 0.142 0.000 0.210 1109 L C 2.356 179.257 176.870 0.051 0.000 1.092 1109 L CA 1.179 56.052 54.840 0.054 0.000 0.759 1109 L CB -0.356 41.720 42.059 0.030 0.000 0.903 1109 L HN 0.300 nan 8.230 nan 0.000 0.435 1110 M N -1.659 117.981 119.600 0.067 0.000 2.099 1110 M HA -0.234 4.331 4.480 0.142 0.000 0.262 1110 M C 2.324 178.672 176.300 0.080 0.000 1.067 1110 M CA 1.843 57.180 55.300 0.061 0.000 1.124 1110 M CB -0.727 31.911 32.600 0.063 0.000 1.353 1110 M HN 0.102 nan 8.290 nan 0.000 0.410 1111 Y N 1.153 121.461 120.300 0.014 0.000 2.207 1111 Y HA -0.224 4.413 4.550 0.144 0.000 0.287 1111 Y C 1.814 177.720 175.900 0.011 0.000 1.156 1111 Y CA 1.589 59.699 58.100 0.017 0.000 1.182 1111 Y CB -0.118 38.353 38.460 0.018 0.000 0.979 1111 Y HN 0.102 nan 8.280 nan 0.000 0.521 1112 L N -0.253 120.919 121.223 -0.085 0.000 2.109 1112 L HA -0.159 4.266 4.340 0.142 0.000 0.207 1112 L C 2.654 179.426 176.870 -0.162 0.000 1.086 1112 L CA 1.347 56.079 54.840 -0.180 0.000 0.760 1112 L CB -0.743 41.295 42.059 -0.035 0.000 0.910 1112 L HN 0.359 nan 8.230 nan 0.000 0.437 1113 S N -1.391 114.258 115.700 -0.086 0.000 2.515 1113 S HA -0.095 4.461 4.470 0.142 0.000 0.231 1113 S C 0.923 175.484 174.600 -0.066 0.000 0.987 1113 S CA 0.080 58.245 58.200 -0.058 0.000 0.936 1113 S CB -0.315 62.870 63.200 -0.024 0.000 0.766 1113 S HN 0.402 nan 8.310 nan 0.000 0.528 1114 Q N 2.257 121.990 119.800 -0.112 0.000 2.392 1114 Q HA 0.292 4.718 4.340 0.142 0.000 0.262 1114 Q C -2.396 173.573 176.000 -0.051 0.000 1.003 1114 Q CA -1.725 54.026 55.803 -0.086 0.000 0.888 1114 Q CB 0.000 28.666 28.738 -0.121 0.000 1.260 1114 Q HN 0.250 nan 8.270 nan 0.000 0.435 1115 P HA -0.044 nan 4.420 nan 0.000 0.265 1115 P C -1.370 175.981 177.300 0.086 0.000 1.193 1115 P CA 0.457 63.573 63.100 0.026 0.000 0.765 1115 P CB 0.254 31.956 31.700 0.004 0.000 0.823 1116 F N 4.276 124.184 119.950 -0.069 0.000 2.518 1116 F HA 0.459 5.072 4.527 0.143 0.000 0.323 1116 F C -2.224 173.553 175.800 -0.038 0.000 1.129 1116 F CA -2.838 55.124 58.000 -0.062 0.000 0.920 1116 F CB 1.118 40.072 39.000 -0.077 0.000 1.160 1116 F HN 0.224 nan 8.300 nan 0.000 0.440 1117 P HA 0.178 nan 4.420 nan 0.000 0.264 1117 P C -0.348 176.660 177.300 -0.487 0.000 1.229 1117 P CA 0.318 63.106 63.100 -0.520 0.000 0.780 1117 P CB 0.113 31.503 31.700 -0.517 0.000 0.808 1118 N N 2.024 120.626 118.700 -0.163 0.000 2.671 1118 N HA 0.383 5.208 4.740 0.142 0.000 0.303 1118 N C 0.591 176.078 175.510 -0.038 0.000 1.351 1118 N CA -0.284 52.750 53.050 -0.027 0.000 0.991 1118 N CB 0.423 38.942 38.487 0.054 0.000 1.307 1118 N HN 0.558 nan 8.380 nan 0.000 0.512 1119 G N -0.373 108.380 108.800 -0.079 0.000 2.395 1119 G HA2 0.355 4.400 3.960 0.142 0.000 0.283 1119 G HA3 0.355 4.400 3.960 0.142 0.000 0.283 1119 G C -0.196 174.685 174.900 -0.031 0.000 1.178 1119 G CA -0.271 44.797 45.100 -0.054 0.000 0.837 1119 G HN 0.489 nan 8.290 nan 0.000 0.518 1120 D N 0.596 120.984 120.400 -0.020 0.000 2.506 1120 D HA 0.302 5.028 4.640 0.142 0.000 0.234 1120 D C 0.436 176.726 176.300 -0.015 0.000 1.143 1120 D CA 0.401 54.394 54.000 -0.011 0.000 0.871 1120 D CB 0.843 41.637 40.800 -0.011 0.000 1.190 1120 D HN 0.426 nan 8.370 nan 0.000 0.459 1121 M N 3.822 123.416 119.600 -0.009 0.000 2.598 1121 M HA 0.489 5.054 4.480 0.142 0.000 0.317 1121 M C 0.233 176.524 176.300 -0.016 0.000 1.179 1121 M CA -0.945 54.348 55.300 -0.012 0.000 0.936 1121 M CB 0.911 33.510 32.600 -0.001 0.000 1.713 1121 M HN 0.408 nan 8.290 nan 0.000 0.460 1122 I N 0.391 120.948 120.570 -0.021 0.000 2.779 1122 I HA 0.566 4.822 4.170 0.142 0.000 0.285 1122 I C -2.105 173.990 176.117 -0.038 0.000 1.134 1122 I CA -1.914 59.369 61.300 -0.028 0.000 1.398 1122 I CB 0.028 38.012 38.000 -0.027 0.000 1.404 1122 I HN 0.540 nan 8.210 nan 0.000 0.587 1123 P HA 0.128 nan 4.420 nan 0.000 0.271 1123 P C -0.386 176.844 177.300 -0.116 0.000 1.226 1123 P CA -0.096 62.952 63.100 -0.086 0.000 0.765 1123 P CB 0.310 31.949 31.700 -0.103 0.000 0.835 1124 N N 1.099 119.726 118.700 -0.121 0.000 2.143 1124 N HA 0.268 5.093 4.740 0.142 0.000 0.229 1124 N C -0.247 175.170 175.510 -0.155 0.000 1.294 1124 N CA -0.288 52.691 53.050 -0.119 0.000 0.883 1124 N CB 0.575 39.035 38.487 -0.045 0.000 1.148 1124 N HN 0.315 nan 8.380 nan 0.000 0.511 1125 A N -0.147 122.541 122.820 -0.219 0.000 2.443 1125 A HA 0.804 5.209 4.320 0.142 0.000 0.278 1125 A C -1.671 175.651 177.584 -0.437 0.000 1.252 1125 A CA -0.556 51.388 52.037 -0.154 0.000 0.816 1125 A CB 0.987 20.016 19.000 0.049 0.000 1.369 1125 A HN 0.095 nan 8.150 nan 0.000 0.446 1126 Y N -0.751 119.573 120.300 0.042 0.000 2.562 1126 Y HA 0.805 5.440 4.550 0.142 0.000 0.343 1126 Y C 0.316 176.204 175.900 -0.019 0.000 1.025 1126 Y CA -0.560 57.539 58.100 -0.003 0.000 1.082 1126 Y CB 1.983 40.424 38.460 -0.032 0.000 1.264 1126 Y HN 0.790 nan 8.280 nan 0.000 0.478 1127 R N 1.610 122.189 120.500 0.132 0.000 2.536 1127 R HA 0.400 4.825 4.340 0.142 0.000 0.269 1127 R C -2.204 174.124 176.300 0.047 0.000 1.113 1127 R CA -0.880 55.253 56.100 0.055 0.000 0.948 1127 R CB 1.179 31.495 30.300 0.026 0.000 1.237 1127 R HN 0.644 nan 8.270 nan 0.000 0.441 1128 L N 4.480 125.716 121.223 0.022 0.000 2.540 1128 L HA 0.034 4.460 4.340 0.142 0.000 0.276 1128 L C 0.275 177.156 176.870 0.018 0.000 1.212 1128 L CA 0.773 55.623 54.840 0.017 0.000 0.893 1128 L CB 0.160 42.225 42.059 0.009 0.000 1.138 1128 L HN 0.660 nan 8.230 nan 0.000 0.491 1129 D N 2.095 122.506 120.400 0.019 0.000 2.433 1129 D HA 0.035 4.760 4.640 0.142 0.000 0.255 1129 D C 1.283 177.587 176.300 0.007 0.000 1.226 1129 D CA -0.446 53.562 54.000 0.013 0.000 1.015 1129 D CB 0.444 41.253 40.800 0.015 0.000 1.091 1129 D HN 0.289 nan 8.370 nan 0.000 0.527 1130 I N 0.276 120.848 120.570 0.003 0.000 2.151 1130 I HA -0.296 3.959 4.170 0.142 0.000 0.243 1130 I C 1.758 177.871 176.117 -0.006 0.000 1.080 1130 I CA 1.418 62.717 61.300 -0.001 0.000 1.339 1130 I CB -0.734 37.264 38.000 -0.003 0.000 1.039 1130 I HN 0.329 nan 8.210 nan 0.000 0.409 1131 N N 0.160 118.856 118.700 -0.006 0.000 2.000 1131 N HA -0.216 4.610 4.740 0.142 0.000 0.198 1131 N C 2.022 177.523 175.510 -0.015 0.000 1.057 1131 N CA 2.200 55.242 53.050 -0.013 0.000 0.858 1131 N CB -1.025 37.456 38.487 -0.011 0.000 1.057 1131 N HN 0.397 nan 8.380 nan 0.000 0.423 1132 C N 1.007 120.305 119.300 -0.002 0.000 2.403 1132 C HA -0.117 4.428 4.460 0.142 0.000 0.277 1132 C C 2.770 177.768 174.990 0.013 0.000 1.248 1132 C CA 0.466 59.490 59.018 0.009 0.000 1.762 1132 C CB -1.226 26.524 27.740 0.017 0.000 2.014 1132 C HN 0.542 nan 8.230 nan 0.000 0.486 1133 Q N 0.121 119.926 119.800 0.008 0.000 2.096 1133 Q HA -0.193 4.232 4.340 0.142 0.000 0.204 1133 Q C 2.264 178.265 176.000 0.002 0.000 0.982 1133 Q CA 1.641 57.450 55.803 0.010 0.000 0.850 1133 Q CB -0.140 28.601 28.738 0.006 0.000 0.901 1133 Q HN 0.677 nan 8.270 nan 0.000 0.422 1134 M N -0.529 119.062 119.600 -0.015 0.000 2.117 1134 M HA -0.181 4.385 4.480 0.142 0.000 0.262 1134 M C 2.184 178.444 176.300 -0.066 0.000 1.065 1134 M CA 1.490 56.770 55.300 -0.034 0.000 1.114 1134 M CB -0.226 32.349 32.600 -0.041 0.000 1.361 1134 M HN 0.140 nan 8.290 nan 0.000 0.408 1135 R N -0.146 120.303 120.500 -0.085 0.000 2.083 1135 R HA -0.130 4.295 4.340 0.142 0.000 0.237 1135 R C 2.169 178.393 176.300 -0.125 0.000 1.137 1135 R CA 1.496 57.479 56.100 -0.194 0.000 0.951 1135 R CB -0.823 29.390 30.300 -0.145 0.000 0.851 1135 R HN 0.243 nan 8.270 nan 0.000 0.434 1136 V N 1.518 121.473 119.914 0.069 0.000 2.332 1136 V HA -0.245 3.960 4.120 0.142 0.000 0.248 1136 V C 2.241 178.418 176.094 0.139 0.000 1.055 1136 V CA 1.601 64.014 62.300 0.189 0.000 1.038 1136 V CB -0.531 31.366 31.823 0.123 0.000 0.651 1136 V HN 0.247 nan 8.190 nan 0.000 0.450 1137 L N 1.070 122.326 121.223 0.055 0.000 1.994 1137 L HA -0.085 4.341 4.340 0.142 0.000 0.208 1137 L C 2.482 179.374 176.870 0.036 0.000 1.071 1137 L CA 2.471 57.336 54.840 0.043 0.000 0.745 1137 L CB -1.233 40.835 42.059 0.015 0.000 0.892 1137 L HN 0.225 nan 8.230 nan 0.000 0.431 1138 A N -1.038 121.763 122.820 -0.030 0.000 1.940 1138 A HA -0.232 4.173 4.320 0.142 0.000 0.219 1138 A C 2.146 179.727 177.584 -0.005 0.000 1.176 1138 A CA 1.907 53.903 52.037 -0.069 0.000 0.631 1138 A CB -1.061 17.833 19.000 -0.177 0.000 0.814 1138 A HN 0.463 nan 8.150 nan 0.000 0.446 1139 F N -0.015 119.947 119.950 0.021 0.000 2.126 1139 F HA -0.119 4.494 4.527 0.143 0.000 0.299 1139 F C 2.155 177.983 175.800 0.047 0.000 1.096 1139 F CA 1.115 59.133 58.000 0.029 0.000 1.255 1139 F CB -0.677 38.343 39.000 0.032 0.000 0.997 1139 F HN 0.105 nan 8.300 nan 0.000 0.479 1140 L N -0.851 120.526 121.223 0.256 0.000 2.093 1140 L HA -0.201 4.224 4.340 0.142 0.000 0.208 1140 L C 2.280 179.230 176.870 0.133 0.000 1.085 1140 L CA 1.068 56.023 54.840 0.191 0.000 0.755 1140 L CB -0.743 41.404 42.059 0.146 0.000 0.904 1140 L HN 0.161 nan 8.230 nan 0.000 0.435 1141 Q N -0.510 119.349 119.800 0.097 0.000 2.364 1141 Q HA -0.142 4.283 4.340 0.142 0.000 0.209 1141 Q C 1.691 177.725 176.000 0.058 0.000 0.977 1141 Q CA 1.751 57.591 55.803 0.061 0.000 0.885 1141 Q CB -0.042 28.717 28.738 0.034 0.000 0.941 1141 Q HN 0.614 nan 8.270 nan 0.000 0.464 1142 T N -4.889 109.715 114.554 0.083 0.000 3.054 1142 T HA 0.355 4.790 4.350 0.142 0.000 0.255 1142 T C 1.170 175.902 174.700 0.054 0.000 1.035 1142 T CA 0.284 62.426 62.100 0.070 0.000 0.941 1142 T CB 0.891 69.815 68.868 0.093 0.000 1.026 1142 T HN 0.325 nan 8.240 nan 0.000 0.533 1143 G N 1.964 110.797 108.800 0.054 0.000 2.136 1143 G HA2 -0.256 3.790 3.960 0.142 0.000 0.242 1143 G HA3 -0.256 3.790 3.960 0.142 0.000 0.242 1143 G C 0.032 174.872 174.900 -0.100 0.000 0.989 1143 G CA -0.106 44.974 45.100 -0.032 0.000 0.682 1143 G HN 0.610 nan 8.290 nan 0.000 0.522 1144 N N 0.540 119.262 118.700 0.036 0.000 2.868 1144 N HA 0.309 5.135 4.740 0.142 0.000 0.252 1144 N C 1.383 176.910 175.510 0.029 0.000 1.130 1144 N CA -0.113 52.933 53.050 -0.006 0.000 1.026 1144 N CB -0.294 38.217 38.487 0.040 0.000 1.335 1144 N HN 0.598 nan 8.380 nan 0.000 0.516 1145 H N 0.371 119.414 119.070 -0.044 0.000 2.321 1145 H HA -0.103 4.538 4.556 0.142 0.000 0.300 1145 H C 0.489 175.756 175.328 -0.101 0.000 1.087 1145 H CA 1.258 57.279 56.048 -0.046 0.000 1.319 1145 H CB 0.585 30.338 29.762 -0.015 0.000 1.379 1145 H HN 0.458 nan 8.280 nan 0.000 0.501 1146 D N 0.387 120.798 120.400 0.019 0.000 2.117 1146 D HA -0.142 4.584 4.640 0.142 0.000 0.197 1146 D C 2.085 178.279 176.300 -0.177 0.000 0.987 1146 D CA 1.103 55.069 54.000 -0.057 0.000 0.829 1146 D CB -0.112 40.656 40.800 -0.054 0.000 0.961 1146 D HN 0.265 nan 8.370 nan 0.000 0.460 1147 E N 0.074 120.067 120.200 -0.345 0.000 2.152 1147 E HA 0.026 4.461 4.350 0.142 0.000 0.192 1147 E C 1.893 178.029 176.600 -0.772 0.000 0.983 1147 E CA 0.915 56.910 56.400 -0.675 0.000 0.818 1147 E CB -0.276 28.737 29.700 -1.145 0.000 0.758 1147 E HN 0.217 nan 8.360 nan 0.000 0.467 1148 A N 0.267 122.763 122.820 -0.541 0.000 1.898 1148 A HA -0.136 4.269 4.320 0.142 0.000 0.216 1148 A C 2.125 179.663 177.584 -0.078 0.000 1.181 1148 A CA 1.406 53.343 52.037 -0.167 0.000 0.620 1148 A CB -0.689 18.328 19.000 0.029 0.000 0.819 1148 A HN 0.348 nan 8.150 nan 0.000 0.442 1149 L N 0.171 121.346 121.223 -0.081 0.000 2.056 1149 L HA -0.091 4.334 4.340 0.142 0.000 0.207 1149 L C 2.482 179.318 176.870 -0.057 0.000 1.078 1149 L CA 2.472 57.284 54.840 -0.047 0.000 0.749 1149 L CB -0.683 41.360 42.059 -0.027 0.000 0.901 1149 L HN 0.516 nan 8.230 nan 0.000 0.433 1150 R N -0.723 119.726 120.500 -0.085 0.000 2.105 1150 R HA -0.213 4.213 4.340 0.142 0.000 0.239 1150 R C 2.208 178.475 176.300 -0.055 0.000 1.135 1150 R CA 2.091 58.148 56.100 -0.071 0.000 0.967 1150 R CB -0.611 29.636 30.300 -0.090 0.000 0.861 1150 R HN 0.430 nan 8.270 nan 0.000 0.442 1151 L N 0.509 121.703 121.223 -0.048 0.000 2.072 1151 L HA 0.090 4.515 4.340 0.142 0.000 0.205 1151 L C 2.275 179.135 176.870 -0.017 0.000 1.079 1151 L CA 2.056 56.901 54.840 0.009 0.000 0.752 1151 L CB -0.691 41.438 42.059 0.117 0.000 0.906 1151 L HN 0.282 nan 8.230 nan 0.000 0.436 1152 A N -0.662 122.141 122.820 -0.028 0.000 1.969 1152 A HA -0.103 4.303 4.320 0.142 0.000 0.218 1152 A C 2.236 179.739 177.584 -0.134 0.000 1.169 1152 A CA 1.756 53.755 52.037 -0.063 0.000 0.635 1152 A CB -0.734 18.238 19.000 -0.047 0.000 0.810 1152 A HN 0.499 nan 8.150 nan 0.000 0.445 1153 L N 0.191 121.349 121.223 -0.109 0.000 2.179 1153 L HA -0.105 4.320 4.340 0.142 0.000 0.208 1153 L C 2.846 179.630 176.870 -0.143 0.000 1.096 1153 L CA 1.382 56.142 54.840 -0.133 0.000 0.779 1153 L CB -0.363 41.674 42.059 -0.036 0.000 0.922 1153 L HN 0.586 nan 8.230 nan 0.000 0.443 1154 S N -1.091 114.549 115.700 -0.100 0.000 2.481 1154 S HA -0.051 4.504 4.470 0.142 0.000 0.231 1154 S C 1.614 176.134 174.600 -0.134 0.000 0.996 1154 S CA 0.483 58.627 58.200 -0.094 0.000 0.942 1154 S CB -0.040 63.126 63.200 -0.056 0.000 0.768 1154 S HN 0.249 nan 8.310 nan 0.000 0.520 1155 K N 0.870 121.179 120.400 -0.152 0.000 2.373 1155 K HA 0.292 4.697 4.320 0.142 0.000 0.202 1155 K C 0.075 176.528 176.600 -0.244 0.000 1.025 1155 K CA -0.167 56.019 56.287 -0.168 0.000 1.115 1155 K CB 0.049 32.496 32.500 -0.087 0.000 0.858 1155 K HN 0.395 nan 8.250 nan 0.000 0.525 1156 R N 1.402 121.694 120.500 -0.346 0.000 3.641 1156 R HA -0.151 4.275 4.340 0.142 0.000 0.286 1156 R C -0.383 175.563 176.300 -0.590 0.000 1.153 1156 R CA 0.690 56.444 56.100 -0.577 0.000 0.775 1156 R CB -1.722 28.372 30.300 -0.344 0.000 1.215 1156 R HN 0.151 nan 8.270 nan 0.000 0.474 1157 D N 0.155 120.305 120.400 -0.416 0.000 2.479 1157 D HA 0.092 4.818 4.640 0.142 0.000 0.218 1157 D C 0.447 176.597 176.300 -0.251 0.000 1.131 1157 D CA -0.301 53.562 54.000 -0.228 0.000 0.916 1157 D CB 0.148 40.894 40.800 -0.091 0.000 1.022 1157 D HN 0.162 nan 8.370 nan 0.000 0.515 1158 Y N 1.669 121.972 120.300 0.005 0.000 2.561 1158 Y HA 0.079 4.715 4.550 0.144 0.000 0.291 1158 Y C 2.206 178.003 175.900 -0.172 0.000 1.141 1158 Y CA 0.446 58.501 58.100 -0.076 0.000 1.303 1158 Y CB -0.191 38.244 38.460 -0.041 0.000 1.015 1158 Y HN 0.472 nan 8.280 nan 0.000 0.547 1159 A N 1.064 123.870 122.820 -0.023 0.000 1.832 1159 A HA -0.140 4.266 4.320 0.142 0.000 0.214 1159 A C 2.124 179.678 177.584 -0.049 0.000 1.200 1159 A CA 1.893 53.890 52.037 -0.066 0.000 0.610 1159 A CB -1.027 17.947 19.000 -0.043 0.000 0.842 1159 A HN 0.438 nan 8.150 nan 0.000 0.444 1160 I N -0.631 119.920 120.570 -0.031 0.000 2.361 1160 I HA -0.165 4.091 4.170 0.142 0.000 0.251 1160 I C 2.711 178.816 176.117 -0.020 0.000 1.133 1160 I CA 1.057 62.347 61.300 -0.017 0.000 1.413 1160 I CB -0.826 37.168 38.000 -0.009 0.000 1.073 1160 I HN 0.280 nan 8.210 nan 0.000 0.424 1161 A N 2.361 125.159 122.820 -0.037 0.000 1.883 1161 A HA -0.150 4.256 4.320 0.142 0.000 0.217 1161 A C 2.406 179.963 177.584 -0.047 0.000 1.186 1161 A CA 1.621 53.638 52.037 -0.033 0.000 0.624 1161 A CB -0.926 18.066 19.000 -0.012 0.000 0.822 1161 A HN 0.435 nan 8.150 nan 0.000 0.444 1162 L N -0.674 120.483 121.223 -0.109 0.000 2.012 1162 L HA -0.218 4.207 4.340 0.142 0.000 0.210 1162 L C 2.668 179.607 176.870 0.116 0.000 1.073 1162 L CA 1.284 56.005 54.840 -0.198 0.000 0.748 1162 L CB -0.646 41.189 42.059 -0.373 0.000 0.891 1162 L HN 0.411 nan 8.230 nan 0.000 0.431 1163 L N -0.970 120.302 121.223 0.081 0.000 1.970 1163 L HA -0.250 4.175 4.340 0.142 0.000 0.212 1163 L C 2.567 179.477 176.870 0.067 0.000 1.071 1163 L CA 1.287 56.185 54.840 0.097 0.000 0.751 1163 L CB -0.801 41.281 42.059 0.039 0.000 0.889 1163 L HN 0.053 nan 8.230 nan 0.000 0.432 1164 V N 0.450 120.376 119.914 0.021 0.000 2.324 1164 V HA -0.265 3.940 4.120 0.142 0.000 0.250 1164 V C 2.632 178.713 176.094 -0.022 0.000 1.060 1164 V CA 2.104 64.386 62.300 -0.029 0.000 1.042 1164 V CB -1.419 30.390 31.823 -0.024 0.000 0.650 1164 V HN 0.636 nan 8.190 nan 0.000 0.450 1165 G N 0.119 108.956 108.800 0.063 0.000 2.450 1165 G HA2 -0.293 3.752 3.960 0.142 0.000 0.220 1165 G HA3 -0.293 3.752 3.960 0.142 0.000 0.220 1165 G C 1.797 176.833 174.900 0.227 0.000 1.130 1165 G CA 1.389 46.574 45.100 0.142 0.000 0.760 1165 G HN 0.679 nan 8.290 nan 0.000 0.557 1166 S N 0.352 116.206 115.700 0.257 0.000 2.453 1166 S HA 0.092 4.647 4.470 0.142 0.000 0.231 1166 S C 2.096 176.678 174.600 -0.030 0.000 1.005 1166 S CA 0.553 58.807 58.200 0.091 0.000 0.949 1166 S CB -0.255 62.952 63.200 0.012 0.000 0.774 1166 S HN 0.304 nan 8.310 nan 0.000 0.510 1167 L N -0.296 120.881 121.223 -0.076 0.000 2.610 1167 L HA 0.278 4.703 4.340 0.142 0.000 0.232 1167 L C 1.887 178.676 176.870 -0.134 0.000 1.149 1167 L CA 0.548 55.288 54.840 -0.167 0.000 0.872 1167 L CB -0.533 41.297 42.059 -0.381 0.000 0.992 1167 L HN 0.380 nan 8.230 nan 0.000 0.447 1168 M N -0.992 118.579 119.600 -0.048 0.000 2.300 1168 M HA 0.357 4.922 4.480 0.142 0.000 0.313 1168 M C 0.561 176.897 176.300 0.060 0.000 0.988 1168 M CA 0.048 55.372 55.300 0.040 0.000 1.012 1168 M CB 1.349 33.980 32.600 0.052 0.000 1.586 1168 M HN 0.162 nan 8.290 nan 0.000 0.562 1169 G N 2.008 110.832 108.800 0.040 0.000 2.570 1169 G HA2 -0.165 3.881 3.960 0.142 0.000 0.686 1169 G HA3 -0.165 3.881 3.960 0.142 0.000 0.686 1169 G C 0.102 175.043 174.900 0.068 0.000 1.257 1169 G CA -0.244 44.876 45.100 0.033 0.000 0.846 1169 G HN 0.451 nan 8.290 nan 0.000 0.627 1170 K N -0.316 120.105 120.400 0.036 0.000 2.211 1170 K HA -0.126 4.280 4.320 0.142 0.000 0.204 1170 K C 1.451 178.156 176.600 0.176 0.000 1.047 1170 K CA 2.302 58.636 56.287 0.078 0.000 0.935 1170 K CB -0.120 32.396 32.500 0.028 0.000 0.728 1170 K HN 0.386 nan 8.250 nan 0.000 0.452 1171 D N 1.300 121.771 120.400 0.118 0.000 2.088 1171 D HA -0.118 4.607 4.640 0.142 0.000 0.191 1171 D C 2.050 178.422 176.300 0.120 0.000 0.992 1171 D CA 1.455 55.516 54.000 0.102 0.000 0.831 1171 D CB -0.119 40.721 40.800 0.068 0.000 0.973 1171 D HN 0.241 nan 8.370 nan 0.000 0.447 1172 R N -0.293 120.279 120.500 0.120 0.000 2.148 1172 R HA -0.062 4.364 4.340 0.142 0.000 0.223 1172 R C 2.262 178.640 176.300 0.130 0.000 1.088 1172 R CA 0.411 56.571 56.100 0.100 0.000 0.985 1172 R CB -0.278 30.070 30.300 0.078 0.000 0.880 1172 R HN 0.423 nan 8.270 nan 0.000 0.451 1173 W N 1.548 122.849 121.300 0.003 0.000 2.317 1173 W HA -0.273 4.471 4.660 0.140 0.000 0.318 1173 W C 2.024 178.551 176.519 0.014 0.000 1.227 1173 W CA 2.040 59.385 57.345 -0.001 0.000 1.269 1173 W CB -0.507 28.949 29.460 -0.006 0.000 1.155 1173 W HN 0.072 nan 8.180 nan 0.000 0.484 1174 S N 0.962 116.776 115.700 0.190 0.000 2.359 1174 S HA -0.257 4.298 4.470 0.142 0.000 0.224 1174 S C 2.205 176.798 174.600 -0.012 0.000 1.035 1174 S CA 2.939 61.191 58.200 0.085 0.000 1.018 1174 S CB -0.760 62.526 63.200 0.142 0.000 0.876 1174 S HN 0.469 nan 8.310 nan 0.000 0.448 1175 E N 0.432 120.637 120.200 0.008 0.000 2.118 1175 E HA -0.091 4.345 4.350 0.142 0.000 0.195 1175 E C 2.135 178.720 176.600 -0.025 0.000 0.992 1175 E CA 1.636 58.034 56.400 -0.003 0.000 0.804 1175 E CB -1.345 28.363 29.700 0.013 0.000 0.741 1175 E HN 0.548 nan 8.360 nan 0.000 0.458 1176 V N 0.934 120.804 119.914 -0.074 0.000 2.358 1176 V HA -0.218 3.987 4.120 0.142 0.000 0.246 1176 V C 2.651 178.665 176.094 -0.133 0.000 1.047 1176 V CA 1.766 64.014 62.300 -0.086 0.000 1.035 1176 V CB -0.501 31.215 31.823 -0.177 0.000 0.658 1176 V HN 0.604 nan 8.190 nan 0.000 0.452 1177 I N -0.134 120.299 120.570 -0.229 0.000 2.163 1177 I HA -0.322 3.934 4.170 0.142 0.000 0.243 1177 I C 2.734 178.852 176.117 0.001 0.000 1.085 1177 I CA 1.699 62.908 61.300 -0.151 0.000 1.347 1177 I CB -0.558 37.365 38.000 -0.129 0.000 1.044 1177 I HN 0.396 nan 8.210 nan 0.000 0.408 1178 Q N 1.074 120.890 119.800 0.028 0.000 2.050 1178 Q HA -0.243 4.182 4.340 0.142 0.000 0.202 1178 Q C 2.670 178.728 176.000 0.096 0.000 0.980 1178 Q CA 2.283 58.157 55.803 0.119 0.000 0.840 1178 Q CB -0.451 28.301 28.738 0.024 0.000 0.898 1178 Q HN 0.614 nan 8.270 nan 0.000 0.424 1179 K N 0.846 121.253 120.400 0.011 0.000 2.097 1179 K HA -0.212 4.194 4.320 0.142 0.000 0.206 1179 K C 1.688 178.120 176.600 -0.278 0.000 1.049 1179 K CA 1.613 57.897 56.287 -0.006 0.000 0.933 1179 K CB -1.331 31.247 32.500 0.130 0.000 0.717 1179 K HN 0.418 nan 8.250 nan 0.000 0.442 1180 Y N 0.931 120.838 120.300 -0.655 0.000 2.163 1180 Y HA -0.038 4.597 4.550 0.142 0.000 0.288 1180 Y C 1.996 177.558 175.900 -0.564 0.000 1.136 1180 Y CA 1.724 59.138 58.100 -1.144 0.000 1.147 1180 Y CB -0.116 37.831 38.460 -0.855 0.000 0.987 1180 Y HN 0.122 nan 8.280 nan 0.000 0.509 1181 L N -1.359 119.545 121.223 -0.530 0.000 2.044 1181 L HA -0.197 4.229 4.340 0.142 0.000 0.205 1181 L C 1.752 178.263 176.870 -0.599 0.000 1.075 1181 L CA 1.455 55.919 54.840 -0.627 0.000 0.747 1181 L CB -0.622 41.151 42.059 -0.476 0.000 0.903 1181 L HN 0.200 nan 8.230 nan 0.000 0.435 1182 Y N -0.514 119.609 120.300 -0.294 0.000 2.462 1182 Y HA 0.028 4.664 4.550 0.143 0.000 0.261 1182 Y C 2.704 178.504 175.900 -0.167 0.000 1.146 1182 Y CA 0.635 58.603 58.100 -0.220 0.000 1.283 1182 Y CB -0.532 37.817 38.460 -0.185 0.000 1.090 1182 Y HN 0.193 nan 8.280 nan 0.000 0.526 1183 E N 1.437 121.597 120.200 -0.066 0.000 2.097 1183 E HA 0.206 4.642 4.350 0.142 0.000 0.196 1183 E C 1.447 178.037 176.600 -0.017 0.000 1.000 1183 E CA 1.411 57.804 56.400 -0.011 0.000 0.804 1183 E CB -0.704 29.018 29.700 0.037 0.000 0.740 1183 E HN 0.482 nan 8.360 nan 0.000 0.454 1194 E N 1.284 121.442 120.200 -0.069 0.000 2.273 1194 E HA 0.014 4.449 4.350 0.142 0.000 0.198 1194 E C 2.021 178.541 176.600 -0.133 0.000 1.002 1194 E CA 1.703 57.974 56.400 -0.214 0.000 0.828 1194 E CB -0.905 28.632 29.700 -0.271 0.000 0.747 1194 E HN 0.547 nan 8.360 nan 0.000 0.491 1195 L N -0.458 120.717 121.223 -0.081 0.000 1.990 1195 L HA -0.226 4.199 4.340 0.142 0.000 0.213 1195 L C 3.144 179.940 176.870 -0.124 0.000 1.072 1195 L CA 1.612 56.413 54.840 -0.065 0.000 0.755 1195 L CB -0.476 41.526 42.059 -0.096 0.000 0.889 1195 L HN 0.493 nan 8.230 nan 0.000 0.432 1196 A N -0.763 121.872 122.820 -0.308 0.000 1.908 1196 A HA -0.273 4.132 4.320 0.142 0.000 0.218 1196 A C 1.899 179.263 177.584 -0.367 0.000 1.181 1196 A CA 1.948 53.673 52.037 -0.520 0.000 0.627 1196 A CB -0.939 17.371 19.000 -1.150 0.000 0.818 1196 A HN 0.514 nan 8.150 nan 0.000 0.445 1197 H N -1.951 116.921 119.070 -0.329 0.000 2.319 1197 H HA -0.121 4.521 4.556 0.144 0.000 0.299 1197 H C 1.824 177.113 175.328 -0.066 0.000 1.092 1197 H CA 2.135 57.988 56.048 -0.324 0.000 1.302 1197 H CB -0.369 28.666 29.762 -1.212 0.000 1.373 1197 H HN 0.584 nan 8.280 nan 0.000 0.497 1198 F N 0.449 120.386 119.950 -0.021 0.000 2.084 1198 F HA -0.188 4.432 4.527 0.156 0.000 0.296 1198 F C 2.075 177.884 175.800 0.016 0.000 1.111 1198 F CA 0.719 58.844 58.000 0.209 0.000 1.224 1198 F CB -0.074 39.052 39.000 0.209 0.000 0.991 1198 F HN 0.024 nan 8.300 nan 0.000 0.471 1199 L N -0.206 121.116 121.223 0.165 0.000 2.012 1199 L HA -0.270 4.156 4.340 0.142 0.000 0.210 1199 L C 2.397 179.239 176.870 -0.047 0.000 1.073 1199 L CA 0.845 55.630 54.840 -0.092 0.000 0.748 1199 L CB -0.755 41.303 42.059 -0.002 0.000 0.891 1199 L HN 0.278 nan 8.230 nan 0.000 0.431 1200 L N 0.021 121.313 121.223 0.115 0.000 2.013 1200 L HA -0.248 4.177 4.340 0.142 0.000 0.212 1200 L C 2.354 179.323 176.870 0.164 0.000 1.073 1200 L CA 1.755 56.710 54.840 0.192 0.000 0.753 1200 L CB -0.586 41.591 42.059 0.196 0.000 0.890 1200 L HN 0.146 nan 8.230 nan 0.000 0.432 1201 L N -0.962 120.355 121.223 0.156 0.000 2.017 1201 L HA -0.195 4.230 4.340 0.142 0.000 0.208 1201 L C 2.428 179.304 176.870 0.010 0.000 1.073 1201 L CA 1.709 56.606 54.840 0.096 0.000 0.745 1201 L CB -0.304 41.849 42.059 0.156 0.000 0.894 1201 L HN 0.305 nan 8.230 nan 0.000 0.432 1202 I N -0.902 119.667 120.570 -0.001 0.000 2.208 1202 I HA -0.327 3.928 4.170 0.142 0.000 0.245 1202 I C 2.132 178.296 176.117 0.079 0.000 1.097 1202 I CA 1.397 62.669 61.300 -0.047 0.000 1.363 1202 I CB -0.436 37.435 38.000 -0.214 0.000 1.051 1202 I HN 0.209 nan 8.210 nan 0.000 0.413 1203 F N 0.640 120.709 119.950 0.200 0.000 2.325 1203 F HA -0.125 4.488 4.527 0.143 0.000 0.299 1203 F C 2.653 178.583 175.800 0.217 0.000 1.090 1203 F CA 0.779 58.914 58.000 0.225 0.000 1.392 1203 F CB -0.830 38.281 39.000 0.185 0.000 1.053 1203 F HN 0.084 nan 8.300 nan 0.000 0.521 1204 Q N 0.163 120.134 119.800 0.285 0.000 2.079 1204 Q HA -0.087 4.339 4.340 0.142 0.000 0.200 1204 Q C 2.678 178.720 176.000 0.071 0.000 0.974 1204 Q CA 1.133 57.041 55.803 0.176 0.000 0.840 1204 Q CB -0.993 27.797 28.738 0.087 0.000 0.898 1204 Q HN 0.283 nan 8.270 nan 0.000 0.430 1205 V N 0.392 120.270 119.914 -0.060 0.000 2.287 1205 V HA -0.212 3.993 4.120 0.142 0.000 0.248 1205 V C 1.552 177.463 176.094 -0.305 0.000 1.053 1205 V CA 1.514 63.634 62.300 -0.300 0.000 1.027 1205 V CB -0.577 30.826 31.823 -0.700 0.000 0.646 1205 V HN 0.198 nan 8.190 nan 0.000 0.447 1206 F N -0.945 119.007 119.950 0.004 0.000 2.695 1206 F HA 0.210 4.824 4.527 0.145 0.000 0.301 1206 F C 1.347 177.160 175.800 0.023 0.000 1.182 1206 F CA 0.313 58.322 58.000 0.014 0.000 1.412 1206 F CB -0.035 38.985 39.000 0.034 0.000 1.056 1206 F HN -0.087 nan 8.300 nan 0.000 0.522 1207 V N -1.240 118.750 119.914 0.126 0.000 3.497 1207 V HA 0.365 4.571 4.120 0.142 0.000 0.272 1207 V C 1.514 177.618 176.094 0.018 0.000 1.474 1207 V CA 0.671 63.004 62.300 0.055 0.000 1.025 1207 V CB 0.635 32.519 31.823 0.102 0.000 0.820 1207 V HN 0.388 nan 8.190 nan 0.000 0.437 1208 G N 1.273 110.082 108.800 0.016 0.000 2.168 1208 G HA2 -0.191 3.854 3.960 0.142 0.000 0.197 1208 G HA3 -0.191 3.854 3.960 0.142 0.000 0.197 1208 G C 0.225 175.136 174.900 0.018 0.000 0.997 1208 G CA 0.207 45.310 45.100 0.005 0.000 0.658 1208 G HN 0.367 nan 8.290 nan 0.000 0.513 1209 N N 1.107 119.826 118.700 0.032 0.000 2.279 1209 N HA 0.167 4.993 4.740 0.142 0.000 0.226 1209 N C 2.059 177.572 175.510 0.005 0.000 1.126 1209 N CA 0.782 53.853 53.050 0.034 0.000 0.846 1209 N CB 0.535 39.066 38.487 0.073 0.000 1.050 1209 N HN 0.589 nan 8.380 nan 0.000 0.502 1210 S N -0.023 115.677 115.700 -0.000 0.000 2.383 1210 S HA -0.207 4.348 4.470 0.142 0.000 0.229 1210 S C 2.274 176.864 174.600 -0.018 0.000 1.030 1210 S CA 1.559 59.765 58.200 0.009 0.000 1.002 1210 S CB -0.348 62.910 63.200 0.096 0.000 0.829 1210 S HN 0.413 nan 8.310 nan 0.000 0.467 1211 K N 2.165 122.566 120.400 0.000 0.000 2.009 1211 K HA 0.056 4.461 4.320 0.142 0.000 0.210 1211 K C 2.203 178.782 176.600 -0.035 0.000 1.049 1211 K CA 1.818 58.104 56.287 -0.003 0.000 0.929 1211 K CB -1.309 31.203 32.500 0.020 0.000 0.714 1211 K HN 0.632 nan 8.250 nan 0.000 0.440 1212 M N 0.133 119.715 119.600 -0.029 0.000 2.065 1212 M HA -0.123 4.442 4.480 0.142 0.000 0.259 1212 M C 2.561 178.791 176.300 -0.117 0.000 1.069 1212 M CA 2.347 57.621 55.300 -0.042 0.000 1.110 1212 M CB -0.299 32.295 32.600 -0.011 0.000 1.328 1212 M HN 0.404 nan 8.290 nan 0.000 0.405 1213 A N 0.830 123.567 122.820 -0.139 0.000 1.892 1213 A HA -0.195 4.210 4.320 0.142 0.000 0.218 1213 A C 2.007 179.240 177.584 -0.586 0.000 1.188 1213 A CA 2.224 54.114 52.037 -0.244 0.000 0.631 1213 A CB -1.163 17.738 19.000 -0.164 0.000 0.822 1213 A HN 0.696 nan 8.150 nan 0.000 0.447 1214 I N -0.422 119.789 120.570 -0.599 0.000 2.353 1214 I HA -0.160 4.096 4.170 0.142 0.000 0.248 1214 I C 2.997 178.693 176.117 -0.702 0.000 1.119 1214 I CA 1.278 61.988 61.300 -0.984 0.000 1.417 1214 I CB -0.396 37.281 38.000 -0.539 0.000 1.078 1214 I HN 0.414 nan 8.210 nan 0.000 0.421 1215 K N 1.026 121.281 120.400 -0.242 0.000 2.281 1215 K HA -0.185 4.221 4.320 0.142 0.000 0.203 1215 K C 2.137 178.759 176.600 0.037 0.000 1.046 1215 K CA 1.769 58.105 56.287 0.080 0.000 0.938 1215 K CB -1.310 31.246 32.500 0.093 0.000 0.737 1215 K HN 0.605 nan 8.250 nan 0.000 0.458 1216 S N -0.225 115.368 115.700 -0.178 0.000 2.383 1216 S HA -0.094 4.461 4.470 0.142 0.000 0.227 1216 S C 2.026 176.665 174.600 0.065 0.000 1.026 1216 S CA 1.116 59.272 58.200 -0.074 0.000 0.981 1216 S CB -0.756 62.370 63.200 -0.122 0.000 0.818 1216 S HN 0.611 nan 8.310 nan 0.000 0.472 1217 F N 0.837 120.706 119.950 -0.134 0.000 2.065 1217 F HA -0.187 4.390 4.527 0.084 0.000 0.298 1217 F C 2.496 178.299 175.800 0.005 0.000 1.112 1217 F CA 1.479 59.375 58.000 -0.173 0.000 1.212 1217 F CB -0.795 37.845 39.000 -0.600 0.000 0.975 1217 F HN 0.186 nan 8.300 nan 0.000 0.476 1218 Y N 0.585 121.087 120.300 0.337 0.000 2.228 1218 Y HA -0.312 4.278 4.550 0.067 0.000 0.285 1218 Y C 2.793 178.800 175.900 0.178 0.000 1.178 1218 Y CA 1.647 59.914 58.100 0.279 0.000 1.202 1218 Y CB -0.972 37.607 38.460 0.198 0.000 0.974 1218 Y HN 0.162 nan 8.280 nan 0.000 0.527 1219 T N -3.066 111.656 114.554 0.280 0.000 3.035 1219 T HA -0.015 4.420 4.350 0.142 0.000 0.259 1219 T C 0.694 175.477 174.700 0.138 0.000 1.078 1219 T CA 0.309 62.513 62.100 0.173 0.000 1.132 1219 T CB -0.118 68.821 68.868 0.119 0.000 0.900 1219 T HN 0.014 nan 8.240 nan 0.000 0.480 1220 N N 1.833 120.627 118.700 0.156 0.000 2.501 1220 N HA 0.259 5.085 4.740 0.142 0.000 0.245 1220 N C 0.340 175.927 175.510 0.127 0.000 0.974 1220 N CA -0.319 52.806 53.050 0.124 0.000 0.941 1220 N CB 1.146 39.705 38.487 0.119 0.000 1.122 1220 N HN 0.161 nan 8.380 nan 0.000 0.507 1221 N N 3.106 121.867 118.700 0.101 0.000 2.289 1221 N HA -0.182 4.643 4.740 0.142 0.000 0.184 1221 N C 1.389 176.939 175.510 0.066 0.000 1.016 1221 N CA 2.065 55.168 53.050 0.088 0.000 0.872 1221 N CB 0.295 38.823 38.487 0.068 0.000 0.973 1221 N HN 0.684 nan 8.380 nan 0.000 0.433 1222 E N -0.642 119.592 120.200 0.055 0.000 2.107 1222 E HA -0.092 4.344 4.350 0.142 0.000 0.191 1222 E C 1.998 178.594 176.600 -0.006 0.000 0.982 1222 E CA 1.616 58.033 56.400 0.029 0.000 0.809 1222 E CB -1.546 28.173 29.700 0.032 0.000 0.756 1222 E HN 0.669 nan 8.360 nan 0.000 0.459 1223 T N -1.587 112.971 114.554 0.008 0.000 3.054 1223 T HA -0.062 4.373 4.350 0.142 0.000 0.259 1223 T C 2.300 176.946 174.700 -0.091 0.000 1.092 1223 T CA 1.499 63.563 62.100 -0.060 0.000 1.121 1223 T CB -0.094 68.849 68.868 0.125 0.000 0.912 1223 T HN 0.489 nan 8.240 nan 0.000 0.489 1224 S N 0.901 116.590 115.700 -0.018 0.000 2.395 1224 S HA 0.007 4.563 4.470 0.142 0.000 0.225 1224 S C 2.570 177.196 174.600 0.043 0.000 1.027 1224 S CA 1.024 59.225 58.200 0.001 0.000 0.965 1224 S CB -1.092 62.256 63.200 0.247 0.000 0.812 1224 S HN 0.771 nan 8.310 nan 0.000 0.482 1225 Q N 0.829 120.656 119.800 0.044 0.000 2.119 1225 Q HA -0.022 4.404 4.340 0.142 0.000 0.201 1225 Q C 1.782 177.790 176.000 0.012 0.000 0.972 1225 Q CA 1.659 57.483 55.803 0.034 0.000 0.847 1225 Q CB -1.792 26.968 28.738 0.036 0.000 0.903 1225 Q HN 0.953 nan 8.270 nan 0.000 0.433 1226 W N 0.734 121.913 121.300 -0.201 0.000 2.355 1226 W HA 0.015 4.750 4.660 0.125 0.000 0.309 1226 W C 2.458 178.821 176.519 -0.259 0.000 1.206 1226 W CA 2.283 59.480 57.345 -0.245 0.000 1.284 1226 W CB -0.201 29.038 29.460 -0.369 0.000 1.145 1226 W HN 0.403 nan 8.180 nan 0.000 0.502 1227 A N 0.462 122.938 122.820 -0.574 0.000 1.902 1227 A HA -0.225 4.180 4.320 0.142 0.000 0.217 1227 A C 2.136 179.531 177.584 -0.316 0.000 1.181 1227 A CA 2.853 54.342 52.037 -0.914 0.000 0.623 1227 A CB -1.501 16.674 19.000 -1.375 0.000 0.818 1227 A HN 0.445 nan 8.150 nan 0.000 0.443 1228 S N -0.942 114.727 115.700 -0.051 0.000 2.436 1228 S HA 0.078 4.633 4.470 0.142 0.000 0.228 1228 S C 1.795 176.439 174.600 0.072 0.000 1.014 1228 S CA 1.380 59.648 58.200 0.114 0.000 0.950 1228 S CB -0.467 62.797 63.200 0.106 0.000 0.784 1228 S HN 0.770 nan 8.310 nan 0.000 0.504 1229 E N 2.228 122.390 120.200 -0.064 0.000 2.216 1229 E HA 0.085 4.520 4.350 0.142 0.000 0.192 1229 E C 1.420 177.925 176.600 -0.159 0.000 0.988 1229 E CA 0.910 57.270 56.400 -0.067 0.000 0.834 1229 E CB -0.670 28.986 29.700 -0.074 0.000 0.772 1229 E HN 0.751 nan 8.360 nan 0.000 0.479 1230 N N -0.168 118.323 118.700 -0.348 0.000 2.282 1230 N HA 0.036 4.862 4.740 0.142 0.000 0.240 1230 N C 1.329 176.577 175.510 -0.436 0.000 1.182 1230 N CA 0.168 52.940 53.050 -0.464 0.000 0.874 1230 N CB 0.139 38.223 38.487 -0.673 0.000 1.126 1230 N HN 0.769 nan 8.380 nan 0.000 0.516 1231 W N 1.741 122.859 121.300 -0.304 0.000 2.350 1231 W HA -0.074 4.674 4.660 0.147 0.000 0.289 1231 W C 1.039 177.462 176.519 -0.160 0.000 1.215 1231 W CA 0.409 57.632 57.345 -0.203 0.000 1.236 1231 W CB -0.570 28.663 29.460 -0.378 0.000 1.130 1231 W HN -0.046 nan 8.180 nan 0.000 0.541 1232 K N 1.255 120.966 120.400 -1.149 0.000 2.026 1232 K HA -0.166 4.239 4.320 0.142 0.000 0.208 1232 K C 2.574 178.947 176.600 -0.379 0.000 1.048 1232 K CA 2.712 58.381 56.287 -1.031 0.000 0.929 1232 K CB -0.420 31.462 32.500 -1.029 0.000 0.713 1232 K HN 0.183 nan 8.250 nan 0.000 0.439 1233 S N 0.760 116.244 115.700 -0.359 0.000 2.428 1233 S HA -0.052 4.504 4.470 0.142 0.000 0.230 1233 S C 2.004 176.562 174.600 -0.070 0.000 1.014 1233 S CA 0.612 58.615 58.200 -0.328 0.000 0.957 1233 S CB -0.450 62.356 63.200 -0.657 0.000 0.784 1233 S HN 0.172 nan 8.310 nan 0.000 0.499 1234 I N 1.488 121.949 120.570 -0.182 0.000 2.133 1234 I HA -0.129 4.127 4.170 0.142 0.000 0.238 1234 I C 2.450 178.679 176.117 0.187 0.000 1.074 1234 I CA 1.147 62.359 61.300 -0.146 0.000 1.342 1234 I CB -0.622 37.264 38.000 -0.189 0.000 1.053 1234 I HN 0.195 nan 8.210 nan 0.000 0.404 1235 V N 1.271 121.376 119.914 0.318 0.000 2.332 1235 V HA -0.306 3.900 4.120 0.142 0.000 0.248 1235 V C 2.732 178.971 176.094 0.241 0.000 1.055 1235 V CA 1.990 64.533 62.300 0.404 0.000 1.038 1235 V CB -1.127 30.928 31.823 0.387 0.000 0.651 1235 V HN 0.509 nan 8.190 nan 0.000 0.450 1236 A N -0.002 122.920 122.820 0.171 0.000 1.933 1236 A HA -0.114 4.291 4.320 0.142 0.000 0.218 1236 A C 2.432 180.124 177.584 0.180 0.000 1.175 1236 A CA 2.071 54.212 52.037 0.173 0.000 0.628 1236 A CB -0.715 18.398 19.000 0.188 0.000 0.814 1236 A HN 0.578 nan 8.150 nan 0.000 0.444 1237 A N -0.576 122.365 122.820 0.202 0.000 1.902 1237 A HA 0.009 4.415 4.320 0.142 0.000 0.217 1237 A C 2.238 179.917 177.584 0.158 0.000 1.181 1237 A CA 1.764 53.911 52.037 0.184 0.000 0.623 1237 A CB -0.922 18.265 19.000 0.313 0.000 0.818 1237 A HN 0.374 nan 8.150 nan 0.000 0.443 1238 V N 0.260 120.254 119.914 0.135 0.000 2.295 1238 V HA -0.264 3.942 4.120 0.142 0.000 0.246 1238 V C 2.588 178.764 176.094 0.137 0.000 1.049 1238 V CA 2.017 64.363 62.300 0.077 0.000 1.024 1238 V CB -0.797 30.871 31.823 -0.260 0.000 0.648 1238 V HN 0.571 nan 8.190 nan 0.000 0.447 1239 L N -0.710 120.572 121.223 0.098 0.000 2.046 1239 L HA -0.168 4.257 4.340 0.142 0.000 0.208 1239 L C 2.351 179.292 176.870 0.119 0.000 1.077 1239 L CA 1.706 56.581 54.840 0.058 0.000 0.747 1239 L CB -0.438 41.705 42.059 0.140 0.000 0.896 1239 L HN 0.285 nan 8.230 nan 0.000 0.432 1240 I N 0.052 120.710 120.570 0.146 0.000 3.001 1240 I HA -0.179 4.076 4.170 0.142 0.000 0.268 1240 I C 1.328 177.498 176.117 0.088 0.000 1.267 1240 I CA 0.740 62.121 61.300 0.135 0.000 1.472 1240 I CB -0.067 38.005 38.000 0.120 0.000 1.089 1240 I HN 0.337 nan 8.210 nan 0.000 0.468 1241 N N 0.634 119.382 118.700 0.080 0.000 2.230 1241 N HA 0.241 5.066 4.740 0.142 0.000 0.202 1241 N C 0.154 175.625 175.510 -0.065 0.000 1.119 1241 N CA 0.068 53.094 53.050 -0.041 0.000 0.851 1241 N CB 0.507 38.903 38.487 -0.151 0.000 0.990 1241 N HN 0.261 nan 8.380 nan 0.000 0.497 1242 I N 2.639 123.255 120.570 0.078 0.000 2.533 1242 I HA 0.088 4.343 4.170 0.142 0.000 0.284 1242 I C -1.822 174.336 176.117 0.068 0.000 1.109 1242 I CA -1.407 59.942 61.300 0.081 0.000 1.412 1242 I CB 0.344 38.283 38.000 -0.102 0.000 1.396 1242 I HN -0.278 nan 8.210 nan 0.000 0.543 1243 P HA 0.070 nan 4.420 nan 0.000 0.258 1243 P C -0.148 177.223 177.300 0.117 0.000 1.187 1243 P CA 0.162 63.297 63.100 0.057 0.000 0.767 1243 P CB 0.232 31.961 31.700 0.048 0.000 0.770 1244 E N 1.531 121.802 120.200 0.118 0.000 2.351 1244 E HA 0.378 4.813 4.350 0.142 0.000 0.266 1244 E C 0.494 177.162 176.600 0.114 0.000 1.031 1244 E CA -0.018 56.469 56.400 0.146 0.000 0.911 1244 E CB -0.839 28.929 29.700 0.113 0.000 0.986 1244 E HN 0.628 nan 8.360 nan 0.000 0.446 1245 N N 1.374 120.155 118.700 0.134 0.000 2.558 1245 N HA 0.478 5.303 4.740 0.142 0.000 0.242 1245 N C 1.080 176.636 175.510 0.077 0.000 0.979 1245 N CA 0.234 53.343 53.050 0.098 0.000 0.931 1245 N CB 0.223 38.775 38.487 0.109 0.000 1.122 1245 N HN 0.875 nan 8.380 nan 0.000 0.508 1246 N N 0.218 118.950 118.700 0.054 0.000 2.104 1246 N HA -0.158 4.667 4.740 0.142 0.000 0.190 1246 N C 2.042 177.570 175.510 0.030 0.000 1.024 1246 N CA 2.634 55.706 53.050 0.036 0.000 0.853 1246 N CB -1.016 37.487 38.487 0.027 0.000 1.008 1246 N HN 1.019 nan 8.380 nan 0.000 0.424 1247 E N -0.326 119.894 120.200 0.034 0.000 2.021 1247 E HA 0.062 4.497 4.350 0.142 0.000 0.200 1247 E C 1.289 177.907 176.600 0.031 0.000 1.015 1247 E CA 1.759 58.176 56.400 0.029 0.000 0.824 1247 E CB -1.540 28.179 29.700 0.032 0.000 0.762 1247 E HN 1.055 nan 8.360 nan 0.000 0.454 1248 D N 0.685 121.113 120.400 0.048 0.000 2.462 1248 D HA 0.476 5.202 4.640 0.142 0.000 0.245 1248 D C -1.784 174.564 176.300 0.079 0.000 1.122 1248 D CA -0.622 53.411 54.000 0.054 0.000 0.864 1248 D CB 1.450 42.288 40.800 0.063 0.000 1.098 1248 D HN 0.209 nan 8.370 nan 0.000 0.541 1249 P HA 0.119 nan 4.420 nan 0.000 0.228 1249 P C 1.270 178.554 177.300 -0.026 0.000 1.166 1249 P CA 0.104 63.218 63.100 0.022 0.000 0.812 1249 P CB 0.698 32.366 31.700 -0.053 0.000 0.857 1250 L N -0.932 120.274 121.223 -0.028 0.000 2.529 1250 L HA 0.165 4.590 4.340 0.142 0.000 0.223 1250 L C 1.240 178.206 176.870 0.159 0.000 1.113 1250 L CA -0.090 54.715 54.840 -0.059 0.000 0.861 1250 L CB -0.262 41.750 42.059 -0.078 0.000 1.012 1250 L HN -0.122 nan 8.230 nan 0.000 0.461 1251 L N 1.054 122.398 121.223 0.202 0.000 2.426 1251 L HA 0.190 4.615 4.340 0.142 0.000 0.271 1251 L C -0.122 176.966 176.870 0.363 0.000 1.169 1251 L CA 0.048 55.026 54.840 0.229 0.000 0.836 1251 L CB 0.893 43.042 42.059 0.150 0.000 1.112 1251 L HN 0.010 nan 8.230 nan 0.000 0.465 1252 I N 3.702 124.439 120.570 0.278 0.000 2.336 1252 I HA 0.273 4.528 4.170 0.142 0.000 0.292 1252 I C -1.979 174.185 176.117 0.079 0.000 0.991 1252 I CA -2.081 59.326 61.300 0.179 0.000 1.227 1252 I CB 1.496 39.580 38.000 0.140 0.000 1.366 1252 I HN 0.323 nan 8.210 nan 0.000 0.466 1253 P HA 0.023 nan 4.420 nan 0.000 0.260 1253 P C -2.058 175.248 177.300 0.009 0.000 1.172 1253 P CA -0.700 62.411 63.100 0.019 0.000 0.760 1253 P CB 0.049 31.747 31.700 -0.004 0.000 0.773 1254 P HA -0.206 nan 4.420 nan 0.000 0.216 1254 P C 1.389 178.698 177.300 0.015 0.000 1.153 1254 P CA 1.292 64.411 63.100 0.030 0.000 0.858 1254 P CB -0.273 31.446 31.700 0.032 0.000 0.789 1255 V N -3.617 116.290 119.914 -0.011 0.000 2.759 1255 V HA -0.123 4.083 4.120 0.142 0.000 0.256 1255 V C 1.948 177.997 176.094 -0.074 0.000 1.080 1255 V CA 1.651 63.926 62.300 -0.042 0.000 1.101 1255 V CB -1.505 30.274 31.823 -0.073 0.000 0.698 1255 V HN -0.051 nan 8.190 nan 0.000 0.477 1256 V N -0.054 119.803 119.914 -0.094 0.000 2.649 1256 V HA 0.001 4.206 4.120 0.142 0.000 0.248 1256 V C 2.466 178.596 176.094 0.060 0.000 1.054 1256 V CA 1.514 63.762 62.300 -0.085 0.000 1.073 1256 V CB 0.036 31.743 31.823 -0.194 0.000 0.699 1256 V HN 0.523 nan 8.190 nan 0.000 0.463 1257 L N 0.736 121.983 121.223 0.040 0.000 2.056 1257 L HA -0.168 4.257 4.340 0.142 0.000 0.207 1257 L C 2.440 179.364 176.870 0.090 0.000 1.078 1257 L CA 2.432 57.318 54.840 0.077 0.000 0.749 1257 L CB -0.636 41.470 42.059 0.077 0.000 0.901 1257 L HN 0.530 nan 8.230 nan 0.000 0.433 1258 E N -0.497 119.751 120.200 0.080 0.000 2.058 1258 E HA -0.330 4.106 4.350 0.142 0.000 0.194 1258 E C 2.235 178.894 176.600 0.099 0.000 0.997 1258 E CA 1.876 58.324 56.400 0.080 0.000 0.801 1258 E CB -0.466 29.271 29.700 0.062 0.000 0.746 1258 E HN 0.473 nan 8.360 nan 0.000 0.450 1259 F N 1.501 121.434 119.950 -0.029 0.000 2.095 1259 F HA -0.205 4.409 4.527 0.145 0.000 0.298 1259 F C 1.929 177.768 175.800 0.064 0.000 1.104 1259 F CA 1.513 59.496 58.000 -0.029 0.000 1.232 1259 F CB -0.366 38.573 39.000 -0.102 0.000 0.987 1259 F HN 0.010 nan 8.300 nan 0.000 0.475 1260 L N 0.155 121.272 121.223 -0.178 0.000 1.989 1260 L HA -0.256 4.170 4.340 0.142 0.000 0.211 1260 L C 2.593 179.357 176.870 -0.177 0.000 1.071 1260 L CA 1.821 56.502 54.840 -0.266 0.000 0.749 1260 L CB -0.799 41.252 42.059 -0.014 0.000 0.890 1260 L HN 0.222 nan 8.230 nan 0.000 0.431 1261 I N -0.643 119.930 120.570 0.006 0.000 2.179 1261 I HA -0.252 4.003 4.170 0.142 0.000 0.242 1261 I C 2.646 178.827 176.117 0.107 0.000 1.088 1261 I CA 1.120 62.507 61.300 0.145 0.000 1.357 1261 I CB -0.400 37.693 38.000 0.155 0.000 1.051 1261 I HN 0.286 nan 8.210 nan 0.000 0.409 1262 E N 0.503 120.728 120.200 0.043 0.000 2.077 1262 E HA -0.225 4.210 4.350 0.142 0.000 0.193 1262 E C 2.126 178.777 176.600 0.086 0.000 0.989 1262 E CA 1.300 57.741 56.400 0.067 0.000 0.800 1262 E CB -0.420 29.300 29.700 0.034 0.000 0.746 1262 E HN 0.384 nan 8.360 nan 0.000 0.452 1263 F N 1.550 121.312 119.950 -0.312 0.000 2.186 1263 F HA -0.005 4.587 4.527 0.109 0.000 0.299 1263 F C 2.233 177.874 175.800 -0.266 0.000 1.090 1263 F CA 1.266 59.052 58.000 -0.357 0.000 1.307 1263 F CB -0.907 37.625 39.000 -0.780 0.000 1.019 1263 F HN -0.036 nan 8.300 nan 0.000 0.489 1264 G N 0.968 109.590 108.800 -0.297 0.000 2.433 1264 G HA2 -0.253 3.793 3.960 0.142 0.000 0.216 1264 G HA3 -0.253 3.793 3.960 0.142 0.000 0.216 1264 G C 2.001 176.729 174.900 -0.287 0.000 1.186 1264 G CA 1.049 45.729 45.100 -0.700 0.000 0.779 1264 G HN 0.398 nan 8.290 nan 0.000 0.543 1265 I N -0.037 120.580 120.570 0.078 0.000 2.113 1265 I HA -0.291 3.964 4.170 0.142 0.000 0.242 1265 I C 2.471 178.699 176.117 0.184 0.000 1.057 1265 I CA 1.875 63.295 61.300 0.201 0.000 1.314 1265 I CB -0.293 37.848 38.000 0.236 0.000 1.022 1265 I HN 0.256 nan 8.210 nan 0.000 0.408 1266 F N 1.398 121.416 119.950 0.113 0.000 2.095 1266 F HA -0.248 4.362 4.527 0.139 0.000 0.298 1266 F C 2.228 178.025 175.800 -0.005 0.000 1.104 1266 F CA 1.742 59.816 58.000 0.123 0.000 1.232 1266 F CB -0.304 38.732 39.000 0.060 0.000 0.987 1266 F HN -0.100 nan 8.300 nan 0.000 0.475 1267 L N -0.340 120.818 121.223 -0.107 0.000 2.046 1267 L HA -0.243 4.182 4.340 0.142 0.000 0.208 1267 L C 2.410 179.060 176.870 -0.367 0.000 1.077 1267 L CA 1.858 56.470 54.840 -0.380 0.000 0.747 1267 L CB -1.338 40.373 42.059 -0.580 0.000 0.896 1267 L HN 0.167 nan 8.230 nan 0.000 0.432 1268 T N -0.216 114.183 114.554 -0.258 0.000 2.720 1268 T HA -0.238 4.197 4.350 0.142 0.000 0.268 1268 T C 2.272 176.885 174.700 -0.145 0.000 1.037 1268 T CA 2.035 64.040 62.100 -0.159 0.000 1.144 1268 T CB -0.317 68.533 68.868 -0.029 0.000 0.864 1268 T HN 0.481 nan 8.240 nan 0.000 0.444 1269 K N 1.422 121.737 120.400 -0.142 0.000 2.360 1269 K HA -0.007 4.398 4.320 0.142 0.000 0.201 1269 K C 1.747 178.231 176.600 -0.193 0.000 1.046 1269 K CA 1.166 57.382 56.287 -0.117 0.000 0.945 1269 K CB -0.509 31.982 32.500 -0.015 0.000 0.750 1269 K HN 0.412 nan 8.250 nan 0.000 0.464 1270 K N -1.120 119.096 120.400 -0.307 0.000 2.498 1270 K HA 0.246 4.651 4.320 0.142 0.000 0.207 1270 K C 0.696 177.174 176.600 -0.203 0.000 1.033 1270 K CA 0.219 56.340 56.287 -0.277 0.000 1.138 1270 K CB 0.429 32.690 32.500 -0.398 0.000 0.860 1270 K HN 0.452 nan 8.250 nan 0.000 0.490 1271 G N 1.638 110.335 108.800 -0.173 0.000 2.166 1271 G HA2 -0.272 3.773 3.960 0.142 0.000 0.260 1271 G HA3 -0.272 3.773 3.960 0.142 0.000 0.260 1271 G C 0.230 175.036 174.900 -0.156 0.000 0.986 1271 G CA 0.010 45.029 45.100 -0.135 0.000 0.683 1271 G HN 0.333 nan 8.290 nan 0.000 0.527 1272 L N 2.151 123.240 121.223 -0.223 0.000 2.583 1272 L HA 0.210 4.636 4.340 0.142 0.000 0.239 1272 L C 2.316 179.003 176.870 -0.306 0.000 1.347 1272 L CA 0.282 54.960 54.840 -0.270 0.000 1.246 1272 L CB -0.420 41.413 42.059 -0.376 0.000 1.496 1272 L HN 0.411 nan 8.230 nan 0.000 0.413 1273 T N -2.757 111.677 114.554 -0.201 0.000 2.759 1273 T HA -0.243 4.192 4.350 0.142 0.000 0.269 1273 T C 1.958 176.535 174.700 -0.205 0.000 1.042 1273 T CA 1.207 63.208 62.100 -0.165 0.000 1.140 1273 T CB 0.057 68.880 68.868 -0.074 0.000 0.864 1273 T HN 0.481 nan 8.240 nan 0.000 0.455 1274 A N 2.147 124.854 122.820 -0.188 0.000 1.858 1274 A HA 0.331 4.736 4.320 0.142 0.000 0.216 1274 A C 2.901 180.280 177.584 -0.342 0.000 1.190 1274 A CA 2.028 53.957 52.037 -0.180 0.000 0.617 1274 A CB -1.520 17.430 19.000 -0.084 0.000 0.827 1274 A HN 0.774 nan 8.150 nan 0.000 0.443 1275 A N -0.089 122.416 122.820 -0.526 0.000 1.883 1275 A HA 0.093 4.498 4.320 0.142 0.000 0.217 1275 A C 2.534 179.437 177.584 -1.135 0.000 1.186 1275 A CA 2.418 53.769 52.037 -1.144 0.000 0.624 1275 A CB -1.139 16.823 19.000 -1.730 0.000 0.822 1275 A HN 1.125 nan 8.150 nan 0.000 0.444 1276 A N -0.596 121.689 122.820 -0.891 0.000 1.883 1276 A HA -0.107 4.298 4.320 0.142 0.000 0.217 1276 A C 2.442 179.403 177.584 -1.038 0.000 1.186 1276 A CA 2.183 53.621 52.037 -0.999 0.000 0.624 1276 A CB -0.996 17.580 19.000 -0.707 0.000 0.822 1276 A HN 0.471 nan 8.150 nan 0.000 0.444 1277 S N -0.469 114.880 115.700 -0.585 0.000 2.400 1277 S HA -0.133 4.423 4.470 0.142 0.000 0.232 1277 S C 1.994 176.358 174.600 -0.394 0.000 1.025 1277 S CA 1.707 59.660 58.200 -0.411 0.000 0.993 1277 S CB -0.548 62.567 63.200 -0.142 0.000 0.808 1277 S HN 0.721 nan 8.310 nan 0.000 0.478 1278 T N 2.998 117.313 114.554 -0.399 0.000 2.708 1278 T HA 0.011 4.446 4.350 0.142 0.000 0.266 1278 T C 1.724 176.298 174.700 -0.210 0.000 1.037 1278 T CA 1.030 62.989 62.100 -0.236 0.000 1.146 1278 T CB -0.386 68.444 68.868 -0.063 0.000 0.865 1278 T HN 0.297 nan 8.240 nan 0.000 0.435 1279 L N -0.372 120.609 121.223 -0.404 0.000 2.056 1279 L HA 0.009 4.434 4.340 0.142 0.000 0.207 1279 L C 2.409 179.144 176.870 -0.224 0.000 1.078 1279 L CA 1.218 55.855 54.840 -0.338 0.000 0.749 1279 L CB -0.768 40.944 42.059 -0.579 0.000 0.901 1279 L HN 0.182 nan 8.230 nan 0.000 0.433 1280 F N 0.573 120.310 119.950 -0.356 0.000 2.202 1280 F HA -0.214 4.398 4.527 0.142 0.000 0.301 1280 F C 2.446 178.195 175.800 -0.085 0.000 1.082 1280 F CA 0.955 58.722 58.000 -0.388 0.000 1.313 1280 F CB -0.799 37.518 39.000 -1.138 0.000 1.024 1280 F HN -0.011 nan 8.300 nan 0.000 0.495 1281 I N -0.447 120.166 120.570 0.072 0.000 2.233 1281 I HA -0.285 3.970 4.170 0.142 0.000 0.243 1281 I C 2.351 178.646 176.117 0.296 0.000 1.093 1281 I CA 1.234 62.638 61.300 0.172 0.000 1.380 1281 I CB -0.469 37.511 38.000 -0.034 0.000 1.067 1281 I HN 0.019 nan 8.210 nan 0.000 0.413 1282 I N 0.834 121.523 120.570 0.200 0.000 2.264 1282 I HA -0.222 4.033 4.170 0.142 0.000 0.248 1282 I C 2.440 178.737 176.117 0.300 0.000 1.111 1282 I CA 1.652 63.109 61.300 0.262 0.000 1.382 1282 I CB -0.815 37.322 38.000 0.228 0.000 1.060 1282 I HN 0.270 nan 8.210 nan 0.000 0.418 1283 G N -0.165 108.783 108.800 0.248 0.000 2.744 1283 G HA2 -0.164 3.881 3.960 0.142 0.000 0.211 1283 G HA3 -0.164 3.881 3.960 0.142 0.000 0.211 1283 G C 0.560 175.631 174.900 0.285 0.000 1.143 1283 G CA 0.141 45.386 45.100 0.241 0.000 0.788 1283 G HN 0.465 nan 8.290 nan 0.000 0.534 1284 N N -1.191 117.732 118.700 0.372 0.000 2.780 1284 N HA -0.152 4.674 4.740 0.142 0.000 0.248 1284 N C 0.021 175.865 175.510 0.557 0.000 1.102 1284 N CA 0.547 53.862 53.050 0.443 0.000 0.697 1284 N CB -1.547 37.039 38.487 0.166 0.000 1.028 1284 N HN 0.130 nan 8.380 nan 0.000 0.554 1285 V N 0.819 121.066 119.914 0.556 0.000 2.521 1285 V HA 0.188 4.394 4.120 0.142 0.000 0.286 1285 V C -1.580 174.864 176.094 0.583 0.000 1.034 1285 V CA -0.782 61.803 62.300 0.476 0.000 1.045 1285 V CB 0.751 32.757 31.823 0.304 0.000 0.974 1285 V HN 0.091 nan 8.190 nan 0.000 0.480 1286 P HA 0.188 nan 4.420 nan 0.000 0.271 1286 P C -0.433 176.777 177.300 -0.150 0.000 1.218 1286 P CA -0.320 62.890 63.100 0.184 0.000 0.780 1286 P CB 0.481 32.382 31.700 0.335 0.000 0.901 1287 L N 2.557 123.345 121.223 -0.726 0.000 2.325 1287 L HA 0.343 4.768 4.340 0.142 0.000 0.284 1287 L C 0.659 177.245 176.870 -0.473 0.000 1.089 1287 L CA 0.527 54.844 54.840 -0.872 0.000 0.836 1287 L CB -0.250 41.062 42.059 -1.244 0.000 1.184 1287 L HN 0.585 nan 8.230 nan 0.000 0.444 1288 S N 1.097 116.633 115.700 -0.273 0.000 2.661 1288 S HA 0.349 4.904 4.470 0.142 0.000 0.268 1288 S C -0.011 174.535 174.600 -0.090 0.000 1.162 1288 S CA -1.025 57.105 58.200 -0.117 0.000 0.817 1288 S CB 1.298 64.486 63.200 -0.020 0.000 1.141 1288 S HN 0.479 nan 8.310 nan 0.000 0.477 1289 N N 0.579 119.249 118.700 -0.050 0.000 2.405 1289 N HA 0.123 4.949 4.740 0.142 0.000 0.175 1289 N C 0.646 176.141 175.510 -0.026 0.000 1.051 1289 N CA 0.926 53.953 53.050 -0.039 0.000 0.899 1289 N CB -0.376 38.093 38.487 -0.030 0.000 1.000 1289 N HN 0.971 nan 8.380 nan 0.000 0.451 1290 E N 3.284 123.475 120.200 -0.015 0.000 2.406 1290 E HA 0.164 4.599 4.350 0.142 0.000 0.258 1290 E C -2.452 174.140 176.600 -0.013 0.000 1.043 1290 E CA -1.630 54.766 56.400 -0.006 0.000 0.929 1290 E CB -0.754 28.951 29.700 0.009 0.000 0.969 1290 E HN 0.087 nan 8.360 nan 0.000 0.462 1291 P HA -0.090 nan 4.420 nan 0.000 0.255 1291 P C 1.448 178.735 177.300 -0.022 0.000 1.161 1291 P CA 0.615 63.703 63.100 -0.021 0.000 0.768 1291 P CB 0.739 32.434 31.700 -0.009 0.000 0.746 1292 V N 1.662 121.542 119.914 -0.057 0.000 2.370 1292 V HA -0.214 3.991 4.120 0.142 0.000 0.252 1292 V C 0.904 176.993 176.094 -0.009 0.000 1.068 1292 V CA 1.808 64.071 62.300 -0.062 0.000 1.061 1292 V CB -0.950 30.751 31.823 -0.204 0.000 0.656 1292 V HN 0.423 nan 8.190 nan 0.000 0.455 1293 M N -0.355 119.246 119.600 0.003 0.000 2.383 1293 M HA 0.783 5.348 4.480 0.142 0.000 0.325 1293 M C 0.748 177.062 176.300 0.022 0.000 1.092 1293 M CA 0.204 55.521 55.300 0.028 0.000 0.961 1293 M CB 1.642 34.272 32.600 0.051 0.000 1.672 1293 M HN 0.157 nan 8.290 nan 0.000 0.438 1294 A N 2.388 125.222 122.820 0.024 0.000 1.902 1294 A HA -0.116 4.289 4.320 0.142 0.000 0.217 1294 A C 1.386 178.979 177.584 0.014 0.000 1.181 1294 A CA 1.972 54.020 52.037 0.018 0.000 0.623 1294 A CB -0.897 18.115 19.000 0.020 0.000 0.818 1294 A HN 0.941 nan 8.150 nan 0.000 0.443 1295 D N -0.800 119.611 120.400 0.018 0.000 2.371 1295 D HA 0.048 4.774 4.640 0.142 0.000 0.221 1295 D C 0.662 176.965 176.300 0.005 0.000 0.986 1295 D CA 1.097 55.105 54.000 0.012 0.000 0.899 1295 D CB -0.159 40.651 40.800 0.017 0.000 0.902 1295 D HN 0.260 nan 8.370 nan 0.000 0.530 1296 S N -0.818 114.889 115.700 0.011 0.000 2.661 1296 S HA 0.379 4.934 4.470 0.142 0.000 0.285 1296 S C -0.433 174.170 174.600 0.004 0.000 1.138 1296 S CA -0.198 58.006 58.200 0.006 0.000 0.855 1296 S CB 1.681 64.897 63.200 0.027 0.000 1.136 1296 S HN 0.080 nan 8.310 nan 0.000 0.484 1297 D N 0.494 120.894 120.400 -0.001 0.000 2.355 1297 D HA 0.089 4.814 4.640 0.142 0.000 0.206 1297 D C 0.462 176.760 176.300 -0.003 0.000 1.010 1297 D CA 0.141 54.138 54.000 -0.005 0.000 0.875 1297 D CB -0.565 40.228 40.800 -0.011 0.000 0.966 1297 D HN 0.259 nan 8.370 nan 0.000 0.512 1298 V N 2.377 122.297 119.914 0.009 0.000 2.625 1298 V HA -0.012 4.193 4.120 0.142 0.000 0.305 1298 V C 0.870 176.951 176.094 -0.021 0.000 1.055 1298 V CA 0.305 62.614 62.300 0.016 0.000 1.209 1298 V CB -0.454 31.409 31.823 0.066 0.000 0.877 1298 V HN 0.320 nan 8.190 nan 0.000 0.489 1299 I N 2.601 123.156 120.570 -0.025 0.000 2.797 1299 I HA 0.602 4.858 4.170 0.142 0.000 0.307 1299 I C -0.753 175.348 176.117 -0.028 0.000 1.033 1299 I CA -0.847 60.424 61.300 -0.049 0.000 1.071 1299 I CB 2.196 40.178 38.000 -0.030 0.000 1.255 1299 I HN 0.490 nan 8.210 nan 0.000 0.445 1300 F N 4.257 124.027 119.950 -0.300 0.000 2.300 1300 F HA 0.366 4.983 4.527 0.149 0.000 0.364 1300 F C 0.919 176.596 175.800 -0.205 0.000 1.090 1300 F CA -0.440 57.367 58.000 -0.323 0.000 1.200 1300 F CB 0.876 39.558 39.000 -0.529 0.000 1.493 1300 F HN 0.808 nan 8.300 nan 0.000 0.518 1301 E N 2.412 122.578 120.200 -0.057 0.000 2.216 1301 E HA 0.028 4.463 4.350 0.142 0.000 0.192 1301 E C -0.151 176.278 176.600 -0.285 0.000 0.973 1301 E CA 0.355 56.646 56.400 -0.181 0.000 0.851 1301 E CB 0.526 30.176 29.700 -0.083 0.000 0.804 1301 E HN 0.500 nan 8.360 nan 0.000 0.477 1302 S N -0.736 114.836 115.700 -0.213 0.000 2.558 1302 S HA 0.288 4.843 4.470 0.142 0.000 0.277 1302 S C -0.672 173.939 174.600 0.018 0.000 1.143 1302 S CA -0.929 57.156 58.200 -0.192 0.000 0.865 1302 S CB 0.440 63.584 63.200 -0.092 0.000 1.102 1302 S HN 0.142 nan 8.310 nan 0.000 0.454 1303 I N 3.591 124.177 120.570 0.027 0.000 2.574 1303 I HA 0.456 4.711 4.170 0.142 0.000 0.291 1303 I C 1.382 177.618 176.117 0.199 0.000 1.131 1303 I CA 1.318 62.724 61.300 0.176 0.000 1.352 1303 I CB -0.987 37.080 38.000 0.111 0.000 1.431 1303 I HN 1.260 nan 8.210 nan 0.000 0.543 1304 G N 5.424 114.317 108.800 0.155 0.000 2.877 1304 G HA2 -0.321 3.724 3.960 0.142 0.000 0.279 1304 G HA3 -0.321 3.724 3.960 0.142 0.000 0.279 1304 G C -0.133 174.805 174.900 0.062 0.000 1.431 1304 G CA -0.541 44.630 45.100 0.119 0.000 0.883 1304 G HN 0.850 nan 8.290 nan 0.000 0.547 1305 N N -0.335 118.380 118.700 0.024 0.000 2.412 1305 N HA 0.199 5.024 4.740 0.142 0.000 0.258 1305 N C 1.704 177.199 175.510 -0.025 0.000 1.236 1305 N CA 1.025 54.067 53.050 -0.014 0.000 0.882 1305 N CB 0.478 38.944 38.487 -0.034 0.000 1.066 1305 N HN 0.622 nan 8.380 nan 0.000 0.465 1306 M N 2.821 122.396 119.600 -0.041 0.000 2.374 1306 M HA -0.115 4.450 4.480 0.142 0.000 0.264 1306 M C 1.015 177.290 176.300 -0.042 0.000 1.067 1306 M CA 1.213 56.485 55.300 -0.047 0.000 1.103 1306 M CB -0.129 32.423 32.600 -0.080 0.000 1.402 1306 M HN 0.647 nan 8.290 nan 0.000 0.444 1307 N N 0.252 118.907 118.700 -0.074 0.000 2.461 1307 N HA -0.015 4.810 4.740 0.142 0.000 0.188 1307 N C -0.109 175.445 175.510 0.073 0.000 1.134 1307 N CA 0.490 53.502 53.050 -0.063 0.000 0.878 1307 N CB 0.091 38.502 38.487 -0.127 0.000 0.972 1307 N HN 0.343 nan 8.380 nan 0.000 0.456 1308 T N -2.984 111.576 114.554 0.011 0.000 2.928 1308 T HA 0.226 4.662 4.350 0.142 0.000 0.284 1308 T C 1.082 175.811 174.700 0.049 0.000 1.008 1308 T CA -0.658 61.397 62.100 -0.075 0.000 1.057 1308 T CB 0.522 69.299 68.868 -0.151 0.000 1.018 1308 T HN -0.127 nan 8.240 nan 0.000 0.493 1309 F N 0.873 120.719 119.950 -0.172 0.000 2.146 1309 F HA 0.074 4.687 4.527 0.143 0.000 0.298 1309 F C 2.312 177.866 175.800 -0.411 0.000 1.096 1309 F CA 0.838 58.685 58.000 -0.254 0.000 1.275 1309 F CB -1.514 37.377 39.000 -0.181 0.000 1.008 1309 F HN 0.593 nan 8.300 nan 0.000 0.480 1310 E N 0.074 120.057 120.200 -0.361 0.000 2.070 1310 E HA -0.214 4.221 4.350 0.142 0.000 0.197 1310 E C 2.457 178.414 176.600 -1.072 0.000 1.004 1310 E CA 1.726 57.475 56.400 -1.085 0.000 0.805 1310 E CB -0.891 27.858 29.700 -1.586 0.000 0.744 1310 E HN 0.180 nan 8.360 nan 0.000 0.451 1311 S N -0.322 115.069 115.700 -0.516 0.000 2.370 1311 S HA -0.161 4.394 4.470 0.142 0.000 0.226 1311 S C 1.921 176.440 174.600 -0.135 0.000 1.033 1311 S CA 1.174 59.277 58.200 -0.161 0.000 1.011 1311 S CB -0.335 62.835 63.200 -0.049 0.000 0.852 1311 S HN 0.222 nan 8.310 nan 0.000 0.457 1312 I N 1.183 121.641 120.570 -0.187 0.000 2.127 1312 I HA -0.230 4.025 4.170 0.142 0.000 0.241 1312 I C 2.271 178.192 176.117 -0.326 0.000 1.075 1312 I CA 1.412 62.563 61.300 -0.247 0.000 1.334 1312 I CB -0.446 37.288 38.000 -0.443 0.000 1.040 1312 I HN 0.328 nan 8.210 nan 0.000 0.405 1313 L N -0.970 119.977 121.223 -0.460 0.000 2.023 1313 L HA -0.172 4.254 4.340 0.142 0.000 0.205 1313 L C 2.603 179.411 176.870 -0.103 0.000 1.073 1313 L CA 1.119 55.638 54.840 -0.535 0.000 0.745 1313 L CB -0.788 40.921 42.059 -0.584 0.000 0.900 1313 L HN 0.335 nan 8.230 nan 0.000 0.435 1314 W N 1.168 122.370 121.300 -0.164 0.000 2.317 1314 W HA -0.222 4.523 4.660 0.142 0.000 0.318 1314 W C 2.448 178.967 176.519 -0.000 0.000 1.227 1314 W CA 0.957 58.237 57.345 -0.108 0.000 1.269 1314 W CB -1.137 28.189 29.460 -0.224 0.000 1.155 1314 W HN 0.264 nan 8.180 nan 0.000 0.484 1315 D N -0.530 119.989 120.400 0.198 0.000 2.123 1315 D HA -0.197 4.529 4.640 0.142 0.000 0.196 1315 D C 1.928 178.360 176.300 0.220 0.000 0.992 1315 D CA 1.854 55.938 54.000 0.140 0.000 0.833 1315 D CB -0.503 40.318 40.800 0.036 0.000 0.954 1315 D HN 0.352 nan 8.370 nan 0.000 0.455 1316 E N 0.023 120.344 120.200 0.202 0.000 2.107 1316 E HA -0.085 4.351 4.350 0.142 0.000 0.191 1316 E C 2.282 179.096 176.600 0.357 0.000 0.982 1316 E CA 0.356 56.929 56.400 0.288 0.000 0.809 1316 E CB 0.013 29.891 29.700 0.298 0.000 0.756 1316 E HN 0.222 nan 8.360 nan 0.000 0.459 1317 I N 0.294 121.088 120.570 0.373 0.000 2.179 1317 I HA -0.261 3.994 4.170 0.142 0.000 0.242 1317 I C 2.259 178.622 176.117 0.410 0.000 1.088 1317 I CA 0.986 62.537 61.300 0.417 0.000 1.357 1317 I CB -0.354 37.922 38.000 0.458 0.000 1.051 1317 I HN 0.245 nan 8.210 nan 0.000 0.409 1318 Y N 1.698 122.141 120.300 0.238 0.000 2.207 1318 Y HA -0.302 4.335 4.550 0.144 0.000 0.287 1318 Y C 2.528 178.574 175.900 0.242 0.000 1.156 1318 Y CA 1.949 60.169 58.100 0.200 0.000 1.182 1318 Y CB -0.322 38.192 38.460 0.091 0.000 0.979 1318 Y HN 0.228 nan 8.280 nan 0.000 0.521 1319 E N -1.432 118.955 120.200 0.313 0.000 2.047 1319 E HA -0.286 4.149 4.350 0.142 0.000 0.191 1319 E C 2.108 178.783 176.600 0.124 0.000 0.987 1319 E CA 1.201 57.801 56.400 0.333 0.000 0.799 1319 E CB -0.598 29.397 29.700 0.491 0.000 0.752 1319 E HN 0.574 nan 8.360 nan 0.000 0.449 1320 Y N 1.340 121.680 120.300 0.066 0.000 2.165 1320 Y HA -0.224 4.411 4.550 0.142 0.000 0.286 1320 Y C 1.939 177.665 175.900 -0.290 0.000 1.155 1320 Y CA 1.788 59.868 58.100 -0.032 0.000 1.164 1320 Y CB -0.189 38.287 38.460 0.028 0.000 0.978 1320 Y HN 0.067 nan 8.280 nan 0.000 0.513 1321 I N -1.152 119.254 120.570 -0.273 0.000 2.226 1321 I HA -0.350 3.905 4.170 0.142 0.000 0.245 1321 I C 2.032 177.716 176.117 -0.722 0.000 1.100 1321 I CA 1.539 62.464 61.300 -0.626 0.000 1.374 1321 I CB -0.572 37.336 38.000 -0.153 0.000 1.057 1321 I HN 0.134 nan 8.210 nan 0.000 0.413 1322 F N 0.890 120.356 119.950 -0.806 0.000 2.333 1322 F HA -0.220 4.391 4.527 0.141 0.000 0.300 1322 F C 2.847 177.930 175.800 -1.196 0.000 1.083 1322 F CA 1.221 58.559 58.000 -1.104 0.000 1.395 1322 F CB -0.255 37.760 39.000 -1.641 0.000 1.056 1322 F HN 0.165 nan 8.300 nan 0.000 0.529 1323 S N -0.725 114.587 115.700 -0.647 0.000 2.447 1323 S HA -0.210 4.346 4.470 0.142 0.000 0.233 1323 S C 1.797 176.366 174.600 -0.051 0.000 1.006 1323 S CA 0.544 58.676 58.200 -0.113 0.000 0.957 1323 S CB -0.848 62.335 63.200 -0.029 0.000 0.773 1323 S HN 0.296 nan 8.310 nan 0.000 0.507 1324 Y N 2.955 123.105 120.300 -0.249 0.000 2.002 1324 Y HA -0.072 4.563 4.550 0.143 0.000 0.268 1324 Y C 1.839 177.680 175.900 -0.099 0.000 1.177 1324 Y CA 0.201 58.188 58.100 -0.188 0.000 1.111 1324 Y CB -1.631 36.711 38.460 -0.197 0.000 0.952 1324 Y HN 0.579 nan 8.280 nan 0.000 0.491 1325 D N 2.134 122.579 120.400 0.074 0.000 2.502 1325 D HA 0.065 4.791 4.640 0.142 0.000 0.249 1325 D C -1.703 174.663 176.300 0.110 0.000 1.188 1325 D CA -0.755 53.280 54.000 0.058 0.000 0.890 1325 D CB -0.246 40.565 40.800 0.019 0.000 1.140 1325 D HN 0.193 nan 8.370 nan 0.000 0.505 1326 P HA -0.056 nan 4.420 nan 0.000 0.220 1326 P C 2.059 179.403 177.300 0.074 0.000 1.148 1326 P CA 2.098 65.242 63.100 0.073 0.000 0.803 1326 P CB 0.212 31.937 31.700 0.042 0.000 0.782 1327 K N -0.230 120.216 120.400 0.076 0.000 2.148 1327 K HA -0.112 4.293 4.320 0.142 0.000 0.204 1327 K C 0.861 177.508 176.600 0.078 0.000 1.050 1327 K CA 0.734 57.058 56.287 0.062 0.000 0.942 1327 K CB -1.845 30.690 32.500 0.059 0.000 0.724 1327 K HN 0.230 nan 8.250 nan 0.000 0.446 1328 F N 1.849 121.783 119.950 -0.026 0.000 2.572 1328 F HA 0.384 4.996 4.527 0.142 0.000 0.370 1328 F C 0.696 176.455 175.800 -0.069 0.000 1.103 1328 F CA 0.441 58.414 58.000 -0.044 0.000 1.286 1328 F CB 0.597 39.569 39.000 -0.047 0.000 1.105 1328 F HN 0.169 nan 8.300 nan 0.000 0.583 1329 K N 5.258 125.051 120.400 -1.011 0.000 2.877 1329 K HA 0.589 4.995 4.320 0.142 0.000 0.176 1329 K C 0.240 176.242 176.600 -0.998 0.000 1.075 1329 K CA -0.261 55.551 56.287 -0.792 0.000 0.939 1329 K CB -0.034 32.247 32.500 -0.365 0.000 1.237 1329 K HN 1.749 nan 8.250 nan 0.000 0.607 1330 G N 0.451 108.332 108.800 -1.533 0.000 2.939 1330 G HA2 -0.077 3.968 3.960 0.142 0.000 0.278 1330 G HA3 -0.077 3.968 3.960 0.142 0.000 0.278 1330 G C -0.401 174.089 174.900 -0.683 0.000 1.487 1330 G CA -0.246 44.362 45.100 -0.820 0.000 0.935 1330 G HN 0.762 nan 8.290 nan 0.000 0.553 1331 F N -0.347 119.589 119.950 -0.023 0.000 2.470 1331 F HA 0.686 5.300 4.527 0.145 0.000 0.329 1331 F C 1.427 177.211 175.800 -0.026 0.000 1.072 1331 F CA -0.242 57.751 58.000 -0.013 0.000 0.989 1331 F CB 2.248 41.251 39.000 0.004 0.000 1.193 1331 F HN 0.371 nan 8.300 nan 0.000 0.481 1332 S N -0.358 115.449 115.700 0.178 0.000 2.502 1332 S HA -0.085 4.471 4.470 0.142 0.000 0.228 1332 S C 2.004 176.643 174.600 0.066 0.000 1.061 1332 S CA 0.712 58.961 58.200 0.082 0.000 0.935 1332 S CB -0.166 63.057 63.200 0.039 0.000 0.809 1332 S HN 0.701 nan 8.310 nan 0.000 0.510 1333 S N 2.599 118.327 115.700 0.046 0.000 2.465 1333 S HA -0.067 4.488 4.470 0.142 0.000 0.241 1333 S C 1.595 176.184 174.600 -0.018 0.000 1.000 1333 S CA 1.082 59.273 58.200 -0.015 0.000 0.964 1333 S CB -0.841 62.313 63.200 -0.077 0.000 0.763 1333 S HN 0.735 nan 8.310 nan 0.000 0.512 1334 I N -2.645 117.940 120.570 0.025 0.000 4.018 1334 I HA 0.353 4.608 4.170 0.142 0.000 0.337 1334 I C 1.622 177.797 176.117 0.096 0.000 1.327 1334 I CA -0.232 61.091 61.300 0.040 0.000 1.100 1334 I CB -0.165 37.858 38.000 0.039 0.000 1.025 1334 I HN 0.090 nan 8.210 nan 0.000 0.396 1335 L N 1.543 122.824 121.223 0.096 0.000 2.013 1335 L HA -0.082 4.344 4.340 0.142 0.000 0.212 1335 L C -0.120 176.807 176.870 0.095 0.000 1.073 1335 L CA 1.979 56.880 54.840 0.102 0.000 0.753 1335 L CB -1.877 40.221 42.059 0.066 0.000 0.890 1335 L HN 0.259 nan 8.230 nan 0.000 0.432 1336 P HA -0.244 nan 4.420 nan 0.000 0.216 1336 P C 1.483 178.849 177.300 0.110 0.000 1.153 1336 P CA 1.388 64.525 63.100 0.062 0.000 0.858 1336 P CB -0.016 31.697 31.700 0.020 0.000 0.789 1337 Q N -0.112 119.755 119.800 0.112 0.000 2.170 1337 Q HA -0.192 4.234 4.340 0.142 0.000 0.203 1337 Q C 1.904 178.033 176.000 0.215 0.000 0.976 1337 Q CA 1.506 57.420 55.803 0.185 0.000 0.858 1337 Q CB -0.174 28.634 28.738 0.118 0.000 0.907 1337 Q HN 0.211 nan 8.270 nan 0.000 0.433 1338 K N 0.051 120.565 120.400 0.190 0.000 2.057 1338 K HA -0.101 4.305 4.320 0.142 0.000 0.206 1338 K C 2.054 178.745 176.600 0.151 0.000 1.050 1338 K CA 1.262 57.684 56.287 0.225 0.000 0.935 1338 K CB -0.052 32.627 32.500 0.300 0.000 0.715 1338 K HN 0.287 nan 8.250 nan 0.000 0.439 1339 I N 0.238 120.892 120.570 0.141 0.000 2.252 1339 I HA -0.286 3.970 4.170 0.142 0.000 0.245 1339 I C 2.441 178.610 176.117 0.087 0.000 1.102 1339 I CA 1.117 62.475 61.300 0.096 0.000 1.385 1339 I CB -0.366 37.687 38.000 0.089 0.000 1.064 1339 I HN 0.145 nan 8.210 nan 0.000 0.414 1340 Y N 1.248 121.552 120.300 0.007 0.000 2.256 1340 Y HA -0.322 4.313 4.550 0.143 0.000 0.288 1340 Y C 2.612 178.508 175.900 -0.006 0.000 1.155 1340 Y CA 1.892 59.988 58.100 -0.008 0.000 1.203 1340 Y CB -0.867 37.588 38.460 -0.008 0.000 0.980 1340 Y HN 0.230 nan 8.280 nan 0.000 0.530 1341 H N -0.506 118.345 119.070 -0.364 0.000 2.293 1341 H HA -0.132 4.510 4.556 0.143 0.000 0.300 1341 H C 2.276 177.295 175.328 -0.515 0.000 1.082 1341 H CA 1.051 56.768 56.048 -0.552 0.000 1.308 1341 H CB -0.058 29.414 29.762 -0.484 0.000 1.375 1341 H HN 0.437 nan 8.280 nan 0.000 0.495 1342 A N 0.032 122.608 122.820 -0.407 0.000 1.940 1342 A HA -0.220 4.185 4.320 0.142 0.000 0.219 1342 A C 2.593 180.051 177.584 -0.210 0.000 1.176 1342 A CA 1.871 53.695 52.037 -0.355 0.000 0.631 1342 A CB -1.046 17.862 19.000 -0.152 0.000 0.814 1342 A HN 0.514 nan 8.150 nan 0.000 0.446 1343 S N -0.650 114.960 115.700 -0.150 0.000 2.368 1343 S HA -0.091 4.464 4.470 0.142 0.000 0.225 1343 S C 1.879 176.391 174.600 -0.147 0.000 1.030 1343 S CA 1.412 59.552 58.200 -0.100 0.000 0.999 1343 S CB -0.450 62.737 63.200 -0.021 0.000 0.844 1343 S HN 0.513 nan 8.310 nan 0.000 0.459 1344 L N 0.858 121.926 121.223 -0.257 0.000 2.131 1344 L HA -0.055 4.370 4.340 0.142 0.000 0.210 1344 L C 2.254 178.999 176.870 -0.208 0.000 1.092 1344 L CA 0.817 55.497 54.840 -0.268 0.000 0.759 1344 L CB -0.388 41.396 42.059 -0.458 0.000 0.903 1344 L HN 0.355 nan 8.230 nan 0.000 0.435 1345 L N -0.746 120.347 121.223 -0.217 0.000 2.093 1345 L HA -0.223 4.202 4.340 0.142 0.000 0.208 1345 L C 2.651 179.462 176.870 -0.098 0.000 1.085 1345 L CA 1.056 55.794 54.840 -0.168 0.000 0.755 1345 L CB -0.437 41.493 42.059 -0.215 0.000 0.904 1345 L HN 0.308 nan 8.230 nan 0.000 0.435 1346 Q N 0.897 120.644 119.800 -0.088 0.000 2.030 1346 Q HA -0.263 4.163 4.340 0.142 0.000 0.204 1346 Q C 1.927 177.916 176.000 -0.019 0.000 0.986 1346 Q CA 2.031 57.809 55.803 -0.043 0.000 0.843 1346 Q CB -0.169 28.548 28.738 -0.035 0.000 0.904 1346 Q HN 0.439 nan 8.270 nan 0.000 0.420 1347 E N -0.060 120.126 120.200 -0.024 0.000 2.204 1347 E HA -0.201 4.234 4.350 0.142 0.000 0.195 1347 E C 1.525 178.146 176.600 0.035 0.000 0.990 1347 E CA 1.129 57.538 56.400 0.017 0.000 0.821 1347 E CB -0.024 29.679 29.700 0.005 0.000 0.750 1347 E HN 0.601 nan 8.360 nan 0.000 0.477 1348 Q N -0.382 119.419 119.800 0.002 0.000 2.247 1348 Q HA 0.131 4.556 4.340 0.142 0.000 0.205 1348 Q C 0.660 176.668 176.000 0.013 0.000 0.896 1348 Q CA 0.231 56.042 55.803 0.014 0.000 0.950 1348 Q CB 0.791 29.519 28.738 -0.015 0.000 1.054 1348 Q HN 0.343 nan 8.270 nan 0.000 0.482 1349 G N 1.325 110.133 108.800 0.014 0.000 2.203 1349 G HA2 -0.279 3.766 3.960 0.142 0.000 0.263 1349 G HA3 -0.279 3.766 3.960 0.142 0.000 0.263 1349 G C 0.173 175.076 174.900 0.004 0.000 1.012 1349 G CA 0.103 45.212 45.100 0.015 0.000 0.749 1349 G HN 0.414 nan 8.290 nan 0.000 0.512 1350 L N 0.191 121.408 121.223 -0.011 0.000 2.719 1350 L HA 0.252 4.677 4.340 0.142 0.000 0.236 1350 L C 1.432 178.291 176.870 -0.019 0.000 1.285 1350 L CA -0.725 54.106 54.840 -0.015 0.000 1.222 1350 L CB 0.022 42.065 42.059 -0.027 0.000 1.493 1350 L HN 0.013 nan 8.230 nan 0.000 0.415 1351 N N 0.113 118.808 118.700 -0.009 0.000 2.272 1351 N HA -0.188 4.638 4.740 0.142 0.000 0.185 1351 N C 2.080 177.589 175.510 -0.001 0.000 1.014 1351 N CA 1.437 54.483 53.050 -0.006 0.000 0.870 1351 N CB -0.034 38.453 38.487 0.000 0.000 0.975 1351 N HN 0.536 nan 8.380 nan 0.000 0.433 1352 S N 0.956 116.656 115.700 0.000 0.000 2.363 1352 S HA -0.106 4.449 4.470 0.142 0.000 0.218 1352 S C 1.965 176.570 174.600 0.009 0.000 1.035 1352 S CA 0.891 59.093 58.200 0.003 0.000 1.043 1352 S CB -0.953 62.248 63.200 0.002 0.000 0.986 1352 S HN 0.246 nan 8.310 nan 0.000 0.423 1353 L N 1.895 123.125 121.223 0.012 0.000 2.191 1353 L HA 0.002 4.428 4.340 0.142 0.000 0.212 1353 L C 2.974 179.890 176.870 0.076 0.000 1.103 1353 L CA 0.971 55.835 54.840 0.040 0.000 0.769 1353 L CB -1.296 40.785 42.059 0.036 0.000 0.908 1353 L HN 0.590 nan 8.230 nan 0.000 0.438 1354 G N 0.179 108.987 108.800 0.014 0.000 2.459 1354 G HA2 -0.323 3.723 3.960 0.142 0.000 0.217 1354 G HA3 -0.323 3.723 3.960 0.142 0.000 0.217 1354 G C 1.694 176.626 174.900 0.053 0.000 1.183 1354 G CA 1.469 46.568 45.100 -0.002 0.000 0.776 1354 G HN 0.456 nan 8.290 nan 0.000 0.552 1355 T N -0.820 113.757 114.554 0.038 0.000 2.867 1355 T HA 0.030 4.465 4.350 0.142 0.000 0.268 1355 T C 2.133 176.863 174.700 0.050 0.000 1.057 1355 T CA 1.427 63.550 62.100 0.040 0.000 1.136 1355 T CB -0.209 68.671 68.868 0.020 0.000 0.874 1355 T HN 0.309 nan 8.240 nan 0.000 0.466 1356 K N -0.048 120.376 120.400 0.040 0.000 2.113 1356 K HA -0.114 4.292 4.320 0.142 0.000 0.208 1356 K C 1.989 178.575 176.600 -0.024 0.000 1.047 1356 K CA 1.678 57.959 56.287 -0.010 0.000 0.928 1356 K CB -0.313 32.154 32.500 -0.055 0.000 0.716 1356 K HN 0.473 nan 8.250 nan 0.000 0.446 1357 Y N 0.516 120.804 120.300 -0.021 0.000 2.201 1357 Y HA -0.202 4.434 4.550 0.142 0.000 0.292 1357 Y C 2.985 178.923 175.900 0.064 0.000 1.119 1357 Y CA 1.708 59.819 58.100 0.018 0.000 1.127 1357 Y CB -0.594 37.815 38.460 -0.085 0.000 1.019 1357 Y HN 0.205 nan 8.280 nan 0.000 0.514 1358 T N -2.023 112.638 114.554 0.178 0.000 2.699 1358 T HA -0.217 4.218 4.350 0.142 0.000 0.268 1358 T C 1.452 176.193 174.700 0.068 0.000 1.036 1358 T CA 1.891 64.052 62.100 0.101 0.000 1.147 1358 T CB -0.531 68.372 68.868 0.058 0.000 0.862 1358 T HN 0.148 nan 8.240 nan 0.000 0.446 1359 D N 0.298 120.736 120.400 0.065 0.000 2.084 1359 D HA -0.054 4.672 4.640 0.142 0.000 0.194 1359 D C 1.709 178.037 176.300 0.047 0.000 0.990 1359 D CA 1.371 55.396 54.000 0.042 0.000 0.826 1359 D CB -0.755 40.067 40.800 0.036 0.000 0.971 1359 D HN 0.564 nan 8.370 nan 0.000 0.453 1360 Y N 1.264 121.534 120.300 -0.049 0.000 2.165 1360 Y HA -0.165 4.470 4.550 0.142 0.000 0.286 1360 Y C 2.051 177.935 175.900 -0.027 0.000 1.155 1360 Y CA 1.385 59.447 58.100 -0.063 0.000 1.164 1360 Y CB -0.439 37.940 38.460 -0.136 0.000 0.978 1360 Y HN -0.051 nan 8.280 nan 0.000 0.513 1361 L N -0.883 120.297 121.223 -0.071 0.000 2.141 1361 L HA -0.209 4.216 4.340 0.142 0.000 0.209 1361 L C 2.542 179.328 176.870 -0.141 0.000 1.094 1361 L CA 1.201 55.965 54.840 -0.126 0.000 0.763 1361 L CB -0.651 41.449 42.059 0.069 0.000 0.908 1361 L HN 0.166 nan 8.230 nan 0.000 0.437 1362 S N -0.032 115.614 115.700 -0.089 0.000 2.351 1362 S HA -0.212 4.343 4.470 0.142 0.000 0.220 1362 S C 2.219 176.752 174.600 -0.111 0.000 1.035 1362 S CA 1.800 59.957 58.200 -0.073 0.000 1.031 1362 S CB -0.318 62.859 63.200 -0.039 0.000 0.928 1362 S HN 0.639 nan 8.310 nan 0.000 0.433 1363 S N 1.173 116.786 115.700 -0.144 0.000 2.383 1363 S HA -0.103 4.452 4.470 0.142 0.000 0.229 1363 S C 1.963 176.441 174.600 -0.202 0.000 1.030 1363 S CA 1.455 59.565 58.200 -0.150 0.000 1.002 1363 S CB -0.737 62.379 63.200 -0.139 0.000 0.829 1363 S HN 0.362 nan 8.310 nan 0.000 0.467 1364 S N 0.719 116.223 115.700 -0.327 0.000 2.368 1364 S HA -0.057 4.499 4.470 0.142 0.000 0.225 1364 S C 1.804 176.301 174.600 -0.172 0.000 1.030 1364 S CA 1.427 59.434 58.200 -0.321 0.000 0.999 1364 S CB -0.566 62.353 63.200 -0.469 0.000 0.844 1364 S HN 0.472 nan 8.310 nan 0.000 0.459 1365 V N 1.588 121.423 119.914 -0.132 0.000 2.488 1365 V HA 0.041 4.247 4.120 0.142 0.000 0.246 1365 V C 2.422 178.476 176.094 -0.067 0.000 1.046 1365 V CA 1.345 63.599 62.300 -0.078 0.000 1.053 1365 V CB -0.602 31.189 31.823 -0.053 0.000 0.679 1365 V HN 0.377 nan 8.190 nan 0.000 0.458 1366 R N 0.784 121.241 120.500 -0.071 0.000 2.241 1366 R HA -0.079 4.347 4.340 0.142 0.000 0.224 1366 R C 1.864 178.130 176.300 -0.057 0.000 1.101 1366 R CA 1.269 57.335 56.100 -0.056 0.000 0.995 1366 R CB -0.316 29.953 30.300 -0.052 0.000 0.870 1366 R HN 0.547 nan 8.270 nan 0.000 0.463 1367 K N 0.994 121.351 120.400 -0.072 0.000 2.627 1367 K HA 0.217 4.623 4.320 0.142 0.000 0.212 1367 K C 0.152 176.716 176.600 -0.061 0.000 1.041 1367 K CA 0.442 56.688 56.287 -0.068 0.000 1.205 1367 K CB -0.278 32.171 32.500 -0.085 0.000 0.936 1367 K HN 0.077 nan 8.250 nan 0.000 0.489 1368 L N -0.169 121.023 121.223 -0.051 0.000 2.333 1368 L HA 0.475 4.900 4.340 0.142 0.000 0.263 1368 L C -2.534 174.317 176.870 -0.032 0.000 1.014 1368 L CA -2.701 52.114 54.840 -0.041 0.000 0.820 1368 L CB 2.577 44.613 42.059 -0.038 0.000 1.352 1368 L HN -0.025 nan 8.230 nan 0.000 0.421 1369 P HA 0.069 nan 4.420 nan 0.000 0.262 1369 P C 0.116 177.404 177.300 -0.019 0.000 1.199 1369 P CA 0.071 63.158 63.100 -0.021 0.000 0.763 1369 P CB 0.479 32.169 31.700 -0.018 0.000 0.790 1370 K N 1.852 122.241 120.400 -0.018 0.000 2.611 1370 K HA 0.054 4.460 4.320 0.142 0.000 0.193 1370 K C 1.590 178.182 176.600 -0.013 0.000 1.026 1370 K CA 1.655 57.933 56.287 -0.016 0.000 1.063 1370 K CB -1.206 31.284 32.500 -0.016 0.000 0.839 1370 K HN 0.518 nan 8.250 nan 0.000 0.505 1371 K N 0.605 120.998 120.400 -0.013 0.000 2.367 1371 K HA 0.152 4.557 4.320 0.142 0.000 0.195 1371 K C 0.380 176.974 176.600 -0.010 0.000 1.060 1371 K CA 0.313 56.594 56.287 -0.011 0.000 1.022 1371 K CB 0.036 32.530 32.500 -0.010 0.000 0.894 1371 K HN 0.520 nan 8.250 nan 0.000 0.540 1372 D N -0.094 120.300 120.400 -0.011 0.000 2.357 1372 D HA 0.227 4.953 4.640 0.142 0.000 0.242 1372 D C 1.322 177.616 176.300 -0.010 0.000 1.153 1372 D CA -0.379 53.615 54.000 -0.010 0.000 0.918 1372 D CB 1.179 41.972 40.800 -0.011 0.000 1.181 1372 D HN 0.174 nan 8.370 nan 0.000 0.435 1373 I N 0.256 120.821 120.570 -0.009 0.000 2.202 1373 I HA -0.227 4.028 4.170 0.142 0.000 0.242 1373 I C 2.301 178.413 176.117 -0.008 0.000 1.091 1373 I CA 0.720 62.015 61.300 -0.008 0.000 1.368 1373 I CB -0.144 37.851 38.000 -0.008 0.000 1.058 1373 I HN 0.246 nan 8.210 nan 0.000 0.410 1374 L N 0.100 121.318 121.223 -0.008 0.000 2.042 1374 L HA -0.222 4.203 4.340 0.142 0.000 0.210 1374 L C 2.673 179.539 176.870 -0.008 0.000 1.076 1374 L CA 1.568 56.403 54.840 -0.007 0.000 0.749 1374 L CB -1.179 40.877 42.059 -0.006 0.000 0.893 1374 L HN 0.263 nan 8.230 nan 0.000 0.432 1375 T N 0.497 115.044 114.554 -0.011 0.000 2.595 1375 T HA -0.193 4.242 4.350 0.142 0.000 0.264 1375 T C 1.911 176.605 174.700 -0.011 0.000 1.058 1375 T CA 1.810 63.902 62.100 -0.014 0.000 1.166 1375 T CB -0.272 68.586 68.868 -0.017 0.000 0.863 1375 T HN 0.192 nan 8.240 nan 0.000 0.415 1376 I N 1.458 122.022 120.570 -0.010 0.000 2.163 1376 I HA -0.239 4.017 4.170 0.142 0.000 0.243 1376 I C 2.497 178.611 176.117 -0.006 0.000 1.085 1376 I CA 1.136 62.431 61.300 -0.008 0.000 1.347 1376 I CB -0.542 37.454 38.000 -0.008 0.000 1.044 1376 I HN 0.213 nan 8.210 nan 0.000 0.408 1377 N N 1.177 119.874 118.700 -0.006 0.000 2.058 1377 N HA -0.137 4.688 4.740 0.142 0.000 0.191 1377 N C 2.009 177.518 175.510 -0.001 0.000 1.037 1377 N CA 1.362 54.410 53.050 -0.004 0.000 0.848 1377 N CB -0.571 37.913 38.487 -0.005 0.000 1.021 1377 N HN 0.305 nan 8.380 nan 0.000 0.422 1378 L N 0.760 121.983 121.223 -0.000 0.000 2.079 1378 L HA -0.181 4.244 4.340 0.142 0.000 0.210 1378 L C 2.221 179.093 176.870 0.002 0.000 1.081 1378 L CA 1.163 56.006 54.840 0.004 0.000 0.752 1378 L CB -0.792 41.269 42.059 0.003 0.000 0.896 1378 L HN 0.196 nan 8.230 nan 0.000 0.433 1379 T N -1.006 113.546 114.554 -0.004 0.000 2.708 1379 T HA -0.236 4.200 4.350 0.142 0.000 0.266 1379 T C 1.983 176.682 174.700 -0.001 0.000 1.037 1379 T CA 1.453 63.550 62.100 -0.005 0.000 1.146 1379 T CB -0.212 68.650 68.868 -0.009 0.000 0.865 1379 T HN 0.299 nan 8.240 nan 0.000 0.435 1380 R N 1.178 121.677 120.500 -0.001 0.000 2.070 1380 R HA -0.126 4.299 4.340 0.142 0.000 0.233 1380 R C 2.261 178.564 176.300 0.004 0.000 1.137 1380 R CA 1.850 57.950 56.100 0.001 0.000 0.945 1380 R CB -0.198 30.101 30.300 -0.000 0.000 0.845 1380 R HN 0.479 nan 8.270 nan 0.000 0.430 1381 E N 0.381 120.584 120.200 0.006 0.000 2.153 1381 E HA -0.214 4.222 4.350 0.142 0.000 0.194 1381 E C 1.948 178.557 176.600 0.015 0.000 0.988 1381 E CA 1.102 57.509 56.400 0.011 0.000 0.811 1381 E CB -0.121 29.587 29.700 0.015 0.000 0.746 1381 E HN 0.231 nan 8.360 nan 0.000 0.466 1382 L N 0.642 121.874 121.223 0.014 0.000 2.109 1382 L HA -0.093 4.333 4.340 0.142 0.000 0.207 1382 L C 2.121 178.999 176.870 0.012 0.000 1.086 1382 L CA 1.606 56.456 54.840 0.017 0.000 0.760 1382 L CB -0.343 41.724 42.059 0.014 0.000 0.910 1382 L HN -0.101 nan 8.230 nan 0.000 0.437 1383 S N -0.449 115.255 115.700 0.007 0.000 2.368 1383 S HA -0.222 4.334 4.470 0.142 0.000 0.225 1383 S C 1.828 176.432 174.600 0.007 0.000 1.030 1383 S CA 1.388 59.591 58.200 0.005 0.000 0.999 1383 S CB -0.281 62.921 63.200 0.002 0.000 0.844 1383 S HN 0.545 nan 8.310 nan 0.000 0.459 1384 E N 1.268 121.472 120.200 0.007 0.000 2.038 1384 E HA -0.121 4.314 4.350 0.142 0.000 0.195 1384 E C 1.910 178.515 176.600 0.008 0.000 1.000 1384 E CA 1.410 57.814 56.400 0.007 0.000 0.803 1384 E CB -0.462 29.243 29.700 0.008 0.000 0.750 1384 E HN 0.270 nan 8.360 nan 0.000 0.448 1385 V N 0.879 120.798 119.914 0.010 0.000 2.343 1385 V HA -0.261 3.944 4.120 0.142 0.000 0.247 1385 V C 2.397 178.495 176.094 0.007 0.000 1.051 1385 V CA 1.838 64.142 62.300 0.007 0.000 1.036 1385 V CB -1.098 30.730 31.823 0.008 0.000 0.654 1385 V HN 0.454 nan 8.190 nan 0.000 0.451 1386 A N -0.116 122.710 122.820 0.010 0.000 1.883 1386 A HA -0.239 4.166 4.320 0.142 0.000 0.217 1386 A C 2.500 180.088 177.584 0.007 0.000 1.186 1386 A CA 2.414 54.457 52.037 0.010 0.000 0.624 1386 A CB -0.850 18.157 19.000 0.011 0.000 0.822 1386 A HN 0.510 nan 8.150 nan 0.000 0.444 1387 S N -0.485 115.219 115.700 0.007 0.000 2.359 1387 S HA -0.207 4.348 4.470 0.142 0.000 0.224 1387 S C 2.017 176.621 174.600 0.006 0.000 1.035 1387 S CA 1.659 59.862 58.200 0.006 0.000 1.018 1387 S CB -0.356 62.847 63.200 0.005 0.000 0.876 1387 S HN 0.610 nan 8.310 nan 0.000 0.448 1388 R N 0.517 121.021 120.500 0.007 0.000 2.200 1388 R HA 0.028 4.454 4.340 0.142 0.000 0.234 1388 R C 0.756 177.060 176.300 0.007 0.000 1.127 1388 R CA 0.733 56.837 56.100 0.008 0.000 0.989 1388 R CB -0.320 29.985 30.300 0.008 0.000 0.869 1388 R HN 0.344 nan 8.270 nan 0.000 0.459 1389 L N 1.044 122.270 121.223 0.005 0.000 2.888 1389 L HA 0.125 4.550 4.340 0.142 0.000 0.237 1389 L C -0.113 176.760 176.870 0.005 0.000 1.288 1389 L CA -0.378 54.465 54.840 0.004 0.000 1.110 1389 L CB -0.157 41.903 42.059 0.002 0.000 1.441 1389 L HN 0.135 nan 8.230 nan 0.000 0.474 1390 S N 0.000 115.704 115.700 0.006 0.000 2.498 1390 S HA 0.000 4.555 4.470 0.142 0.000 0.327 1390 S CA 0.000 58.203 58.200 0.006 0.000 1.107 1390 S CB 0.000 63.203 63.200 0.005 0.000 0.593 1390 S HN 0.000 nan 8.310 nan 0.000 0.517