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 1foe_1_G DATA FIRST_RESID 1035 DATA SEQUENCE LSDADKLRKV ICELLETERT YVKDLNCLXE RYLKPLQKET FLTQDELDVL DATA SEQUENCE FGNLTEXVEF QVEFLKTLED GVRLVPDLEK LEKVDQFKKV LFSLGGSFLY DATA SEQUENCE YADRFKLYSA FCASHTKVPK VLVKAKTDTA FKAFLDAQNP RQQHSSTLES DATA SEQUENCE YLIKPIQRVL KYPLLLRELF ALTDAESEEH YHLDVAIKTX NKVASHINEX DATA SEQUENCE QKIHEEFGAV FDQLIAEQTG EKKEVADLSX GDLLLHTSVI WLNPPASLGK DATA SEQUENCE WKKEPELAAF VFKTAVVLVY KDGSKQKKKL VGSHRLSIYE EWDPFRFRHX DATA SEQUENCE IPTEALQVRA LPSADAEANA VCEIVHVKSE SEGRPERVFH LCCSSPESRK DATA SEQUENCE DFLKSVHSIL RDKHRRQ 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 1035 L HA 0.000 nan 4.340 nan 0.000 0.249 1035 L C 0.000 176.875 176.870 0.008 0.000 1.165 1035 L CA 0.000 54.846 54.840 0.009 0.000 0.813 1035 L CB 0.000 42.062 42.059 0.005 0.000 0.961 1036 S N -0.618 115.090 115.700 0.013 0.000 2.651 1036 S HA 0.389 4.859 4.470 -0.000 0.000 0.291 1036 S C 0.488 175.090 174.600 0.004 0.000 1.141 1036 S CA -0.879 57.329 58.200 0.013 0.000 1.027 1036 S CB 2.002 65.218 63.200 0.027 0.000 1.043 1036 S HN 0.641 nan 8.310 nan 0.000 0.530 1037 D N 1.541 121.939 120.400 -0.004 0.000 2.191 1037 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 1037 D C 2.103 178.378 176.300 -0.042 0.000 1.003 1037 D CA 1.894 55.879 54.000 -0.025 0.000 0.867 1037 D CB -0.543 40.242 40.800 -0.024 0.000 0.926 1037 D HN 0.734 nan 8.370 nan 0.000 0.450 1038 A N 1.507 124.332 122.820 0.008 0.000 1.877 1038 A HA -0.201 4.118 4.320 -0.000 0.000 0.216 1038 A C 1.922 179.514 177.584 0.013 0.000 1.186 1038 A CA 1.698 53.764 52.037 0.047 0.000 0.620 1038 A CB -0.313 18.800 19.000 0.190 0.000 0.822 1038 A HN 0.082 nan 8.150 nan 0.000 0.443 1039 D N -0.059 120.362 120.400 0.035 0.000 2.084 1039 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 1039 D C 1.909 178.202 176.300 -0.012 0.000 0.990 1039 D CA 1.530 55.549 54.000 0.031 0.000 0.826 1039 D CB -0.352 40.465 40.800 0.029 0.000 0.971 1039 D HN 0.473 nan 8.370 nan 0.000 0.453 1040 K N 0.342 120.724 120.400 -0.029 0.000 2.044 1040 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 1040 K C 2.261 178.813 176.600 -0.080 0.000 1.049 1040 K CA 0.692 56.954 56.287 -0.041 0.000 0.927 1040 K CB -0.366 32.111 32.500 -0.039 0.000 0.713 1040 K HN 0.022 nan 8.250 nan 0.000 0.443 1041 L N 1.477 122.606 121.223 -0.155 0.000 2.042 1041 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 1041 L C 2.523 179.240 176.870 -0.255 0.000 1.076 1041 L CA 1.580 56.259 54.840 -0.268 0.000 0.749 1041 L CB -0.297 41.447 42.059 -0.526 0.000 0.893 1041 L HN 0.083 nan 8.230 nan 0.000 0.432 1042 R N -0.674 119.703 120.500 -0.205 0.000 2.096 1042 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 1042 R C 2.160 178.465 176.300 0.009 0.000 1.127 1042 R CA 1.226 57.314 56.100 -0.020 0.000 0.968 1042 R CB -0.034 30.342 30.300 0.126 0.000 0.861 1042 R HN 0.294 nan 8.270 nan 0.000 0.440 1043 K N 0.164 120.560 120.400 -0.007 0.000 1.991 1043 K HA -0.119 4.201 4.320 -0.000 0.000 0.212 1043 K C 2.154 178.759 176.600 0.009 0.000 1.049 1043 K CA 1.533 57.824 56.287 0.007 0.000 0.932 1043 K CB -0.802 31.698 32.500 -0.001 0.000 0.717 1043 K HN 0.109 nan 8.250 nan 0.000 0.441 1044 V N 2.246 122.155 119.914 -0.008 0.000 2.287 1044 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 1044 V C 2.501 178.614 176.094 0.032 0.000 1.053 1044 V CA 1.680 63.984 62.300 0.007 0.000 1.027 1044 V CB -0.558 31.261 31.823 -0.006 0.000 0.646 1044 V HN 0.208 nan 8.190 nan 0.000 0.447 1045 I N -0.490 120.094 120.570 0.022 0.000 2.264 1045 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 1045 I C 2.497 178.655 176.117 0.068 0.000 1.111 1045 I CA 1.516 62.851 61.300 0.059 0.000 1.382 1045 I CB -0.469 37.573 38.000 0.070 0.000 1.060 1045 I HN 0.384 nan 8.210 nan 0.000 0.418 1046 C N 0.038 119.373 119.300 0.057 0.000 2.457 1046 C HA -0.104 4.356 4.460 -0.000 0.000 0.278 1046 C C 2.731 177.753 174.990 0.053 0.000 1.309 1046 C CA 0.449 59.500 59.018 0.056 0.000 1.735 1046 C CB -0.834 26.936 27.740 0.051 0.000 1.992 1046 C HN 0.506 nan 8.230 nan 0.000 0.493 1047 E N 0.736 120.964 120.200 0.048 0.000 2.051 1047 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 1047 E C 2.186 178.827 176.600 0.068 0.000 0.991 1047 E CA 0.804 57.232 56.400 0.046 0.000 0.799 1047 E CB -0.211 29.509 29.700 0.033 0.000 0.748 1047 E HN 0.587 nan 8.360 nan 0.000 0.449 1048 L N 0.780 122.059 121.223 0.093 0.000 1.990 1048 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 1048 L C 2.470 179.423 176.870 0.139 0.000 1.072 1048 L CA 1.427 56.357 54.840 0.150 0.000 0.755 1048 L CB -0.301 41.871 42.059 0.188 0.000 0.889 1048 L HN 0.316 nan 8.230 nan 0.000 0.432 1049 L N -0.327 120.952 121.223 0.094 0.000 2.056 1049 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 1049 L C 2.569 179.479 176.870 0.065 0.000 1.078 1049 L CA 1.397 56.275 54.840 0.064 0.000 0.749 1049 L CB -0.276 41.807 42.059 0.039 0.000 0.901 1049 L HN 0.314 nan 8.230 nan 0.000 0.433 1050 E N -0.711 119.526 120.200 0.062 0.000 2.051 1050 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 1050 E C 2.078 178.720 176.600 0.070 0.000 0.991 1050 E CA 1.905 58.339 56.400 0.056 0.000 0.799 1050 E CB -0.196 29.532 29.700 0.046 0.000 0.748 1050 E HN 0.584 nan 8.360 nan 0.000 0.449 1051 T N -0.470 114.129 114.554 0.075 0.000 2.833 1051 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 1051 T C 1.879 176.661 174.700 0.136 0.000 1.054 1051 T CA 1.417 63.565 62.100 0.080 0.000 1.135 1051 T CB -0.072 68.823 68.868 0.044 0.000 0.869 1051 T HN -0.024 nan 8.240 nan 0.000 0.466 1052 E N 1.536 121.834 120.200 0.164 0.000 2.072 1052 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 1052 E C 2.455 179.174 176.600 0.198 0.000 0.985 1052 E CA 1.096 57.640 56.400 0.241 0.000 0.801 1052 E CB -0.238 29.600 29.700 0.229 0.000 0.750 1052 E HN 0.589 nan 8.360 nan 0.000 0.452 1053 R N -0.616 119.954 120.500 0.117 0.000 2.096 1053 R HA -0.069 4.270 4.340 -0.000 0.000 0.235 1053 R C 2.411 178.765 176.300 0.089 0.000 1.127 1053 R CA 1.770 57.916 56.100 0.078 0.000 0.968 1053 R CB -0.555 29.775 30.300 0.049 0.000 0.861 1053 R HN 0.170 nan 8.270 nan 0.000 0.440 1054 T N 0.427 115.046 114.554 0.109 0.000 2.674 1054 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 1054 T C 1.439 176.232 174.700 0.154 0.000 1.039 1054 T CA 1.474 63.640 62.100 0.111 0.000 1.150 1054 T CB -0.477 68.451 68.868 0.100 0.000 0.864 1054 T HN 0.264 nan 8.240 nan 0.000 0.427 1055 Y N 2.219 122.554 120.300 0.059 0.000 2.081 1055 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 1055 Y C 2.327 178.275 175.900 0.080 0.000 1.163 1055 Y CA 0.756 58.897 58.100 0.070 0.000 1.135 1055 Y CB -0.930 37.577 38.460 0.079 0.000 0.970 1055 Y HN -0.015 nan 8.280 nan 0.000 0.498 1056 V N 1.043 120.947 119.914 -0.015 0.000 2.287 1056 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 1056 V C 2.501 178.536 176.094 -0.098 0.000 1.053 1056 V CA 2.468 64.693 62.300 -0.124 0.000 1.027 1056 V CB -0.814 31.000 31.823 -0.015 0.000 0.646 1056 V HN 0.398 nan 8.190 nan 0.000 0.447 1057 K N -0.197 120.193 120.400 -0.016 0.000 2.057 1057 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 1057 K C 1.865 178.478 176.600 0.021 0.000 1.049 1057 K CA 1.911 58.202 56.287 0.006 0.000 0.931 1057 K CB -0.254 32.268 32.500 0.037 0.000 0.714 1057 K HN 0.490 nan 8.250 nan 0.000 0.440 1058 D N 0.812 121.247 120.400 0.059 0.000 2.117 1058 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 1058 D C 1.979 178.316 176.300 0.062 0.000 0.987 1058 D CA 0.777 54.888 54.000 0.185 0.000 0.829 1058 D CB -0.089 40.856 40.800 0.241 0.000 0.961 1058 D HN 0.124 nan 8.370 nan 0.000 0.460 1059 L N 1.694 122.840 121.223 -0.128 0.000 1.989 1059 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 1059 L C 1.958 178.752 176.870 -0.127 0.000 1.071 1059 L CA 1.478 56.197 54.840 -0.202 0.000 0.749 1059 L CB -0.933 40.889 42.059 -0.394 0.000 0.890 1059 L HN 0.013 nan 8.230 nan 0.000 0.431 1060 N N -1.481 117.159 118.700 -0.100 0.000 2.166 1060 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 1060 N C 2.002 177.463 175.510 -0.081 0.000 1.019 1060 N CA 1.589 54.597 53.050 -0.070 0.000 0.856 1060 N CB -0.696 37.763 38.487 -0.046 0.000 0.993 1060 N HN 0.447 nan 8.380 nan 0.000 0.426 1061 C N 1.360 120.606 119.300 -0.090 0.000 2.425 1061 C HA 0.085 4.545 4.460 -0.000 0.000 0.277 1061 C C 1.773 176.595 174.990 -0.279 0.000 1.280 1061 C CA -0.313 58.617 59.018 -0.146 0.000 1.744 1061 C CB -1.121 26.566 27.740 -0.088 0.000 1.989 1061 C HN 0.293 nan 8.230 nan 0.000 0.491 1065 R N 0.296 120.725 120.500 -0.120 0.000 2.092 1065 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 1065 R C 1.458 177.551 176.300 -0.344 0.000 1.119 1065 R CA 1.867 57.816 56.100 -0.251 0.000 0.970 1065 R CB -0.002 30.111 30.300 -0.312 0.000 0.864 1065 R HN 0.168 nan 8.270 nan 0.000 0.440 1066 Y N -1.811 118.424 120.300 -0.109 0.000 2.678 1066 Y HA 0.238 4.788 4.550 -0.000 0.000 0.274 1066 Y C 1.725 177.666 175.900 0.067 0.000 1.114 1066 Y CA -0.015 58.090 58.100 0.009 0.000 1.274 1066 Y CB -0.093 38.342 38.460 -0.042 0.000 1.438 1066 Y HN -0.165 nan 8.280 nan 0.000 0.493 1067 L N 0.409 121.652 121.223 0.034 0.000 1.976 1067 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 1067 L C 2.180 179.130 176.870 0.133 0.000 1.071 1067 L CA 1.752 56.440 54.840 -0.255 0.000 0.746 1067 L CB -0.595 40.839 42.059 -1.043 0.000 0.890 1067 L HN 0.165 nan 8.230 nan 0.000 0.432 1068 K N -0.046 120.457 120.400 0.173 0.000 1.991 1068 K HA -0.159 4.161 4.320 -0.000 0.000 0.212 1068 K C -0.400 176.318 176.600 0.197 0.000 1.049 1068 K CA 1.737 58.179 56.287 0.258 0.000 0.932 1068 K CB -1.302 31.291 32.500 0.155 0.000 0.717 1068 K HN 0.318 nan 8.250 nan 0.000 0.441 1069 P HA -0.167 nan 4.420 nan 0.000 0.223 1069 P C 1.229 178.584 177.300 0.092 0.000 1.144 1069 P CA 1.270 64.479 63.100 0.181 0.000 0.783 1069 P CB 0.037 31.917 31.700 0.300 0.000 0.771 1070 L N -0.824 120.491 121.223 0.154 0.000 2.179 1070 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 1070 L C 2.929 179.807 176.870 0.012 0.000 1.096 1070 L CA 1.025 55.879 54.840 0.024 0.000 0.779 1070 L CB -0.619 41.585 42.059 0.240 0.000 0.922 1070 L HN -0.042 nan 8.230 nan 0.000 0.443 1071 Q N 0.755 120.629 119.800 0.124 0.000 2.084 1071 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 1071 Q C 1.159 177.129 176.000 -0.049 0.000 0.978 1071 Q CA 1.479 57.311 55.803 0.047 0.000 0.844 1071 Q CB -0.159 28.610 28.738 0.052 0.000 0.898 1071 Q HN 0.484 nan 8.270 nan 0.000 0.426 1072 K N 0.874 121.240 120.400 -0.057 0.000 3.225 1072 K HA 0.163 4.483 4.320 -0.000 0.000 0.282 1072 K C -0.332 176.142 176.600 -0.209 0.000 1.060 1072 K CA 0.145 56.371 56.287 -0.102 0.000 1.186 1072 K CB 0.310 32.774 32.500 -0.061 0.000 1.214 1072 K HN -0.079 nan 8.250 nan 0.000 0.428 1073 E N -0.607 119.431 120.200 -0.270 0.000 2.456 1073 E HA 0.305 4.654 4.350 -0.000 0.000 0.276 1073 E C -0.473 175.912 176.600 -0.359 0.000 0.981 1073 E CA -0.723 55.394 56.400 -0.473 0.000 0.814 1073 E CB 1.869 31.097 29.700 -0.787 0.000 1.382 1073 E HN 0.039 nan 8.360 nan 0.000 0.459 1074 T N 0.505 114.798 114.554 -0.434 0.000 3.010 1074 T HA 0.228 4.578 4.350 -0.000 0.000 0.257 1074 T C 1.134 175.805 174.700 -0.050 0.000 1.020 1074 T CA -0.177 61.808 62.100 -0.192 0.000 0.938 1074 T CB -0.150 68.644 68.868 -0.122 0.000 1.049 1074 T HN 0.356 nan 8.240 nan 0.000 0.522 1075 F N 1.502 121.377 119.950 -0.124 0.000 2.027 1075 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 1075 F C 1.053 176.705 175.800 -0.246 0.000 1.129 1075 F CA 0.518 58.414 58.000 -0.173 0.000 1.195 1075 F CB -0.217 38.666 39.000 -0.195 0.000 0.960 1075 F HN 0.066 nan 8.300 nan 0.000 0.485 1076 L N -0.060 121.143 121.223 -0.033 0.000 2.375 1076 L HA 0.295 4.635 4.340 -0.000 0.000 0.268 1076 L C 0.624 177.458 176.870 -0.061 0.000 1.058 1076 L CA -0.873 53.905 54.840 -0.104 0.000 0.803 1076 L CB 1.434 43.429 42.059 -0.108 0.000 1.212 1076 L HN 0.069 nan 8.230 nan 0.000 0.451 1077 T N -2.351 112.167 114.554 -0.060 0.000 2.770 1077 T HA 0.068 4.418 4.350 -0.000 0.000 0.281 1077 T C 0.638 175.313 174.700 -0.043 0.000 0.981 1077 T CA -0.381 61.691 62.100 -0.048 0.000 0.955 1077 T CB 1.126 69.967 68.868 -0.044 0.000 1.060 1077 T HN 0.550 nan 8.240 nan 0.000 0.531 1078 Q N 0.429 120.202 119.800 -0.045 0.000 2.079 1078 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 1078 Q C 1.587 177.563 176.000 -0.040 0.000 0.974 1078 Q CA 2.220 57.993 55.803 -0.051 0.000 0.840 1078 Q CB -0.969 27.734 28.738 -0.058 0.000 0.898 1078 Q HN 0.845 nan 8.270 nan 0.000 0.430 1079 D N 0.159 120.537 120.400 -0.036 0.000 2.092 1079 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 1079 D C 1.700 177.990 176.300 -0.017 0.000 0.994 1079 D CA 1.707 55.690 54.000 -0.029 0.000 0.828 1079 D CB -0.156 40.626 40.800 -0.031 0.000 0.963 1079 D HN 0.463 nan 8.370 nan 0.000 0.450 1080 E N 0.167 120.353 120.200 -0.023 0.000 2.085 1080 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 1080 E C 2.248 178.863 176.600 0.025 0.000 0.994 1080 E CA 0.614 57.001 56.400 -0.021 0.000 0.801 1080 E CB -0.188 29.477 29.700 -0.059 0.000 0.743 1080 E HN 0.309 nan 8.360 nan 0.000 0.453 1081 L N 1.246 122.498 121.223 0.048 0.000 2.141 1081 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 1081 L C 1.958 178.959 176.870 0.218 0.000 1.094 1081 L CA 0.812 55.749 54.840 0.161 0.000 0.763 1081 L CB -0.347 41.781 42.059 0.116 0.000 0.908 1081 L HN 0.100 nan 8.230 nan 0.000 0.437 1082 D N -0.289 120.158 120.400 0.078 0.000 2.144 1082 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 1082 D C 2.317 178.669 176.300 0.087 0.000 0.984 1082 D CA 1.129 55.167 54.000 0.062 0.000 0.834 1082 D CB -0.078 40.719 40.800 -0.004 0.000 0.955 1082 D HN 0.158 nan 8.370 nan 0.000 0.465 1083 V N 1.482 121.424 119.914 0.046 0.000 2.343 1083 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 1083 V C 2.648 178.737 176.094 -0.008 0.000 1.051 1083 V CA 1.148 63.445 62.300 -0.004 0.000 1.036 1083 V CB -0.451 31.354 31.823 -0.030 0.000 0.654 1083 V HN 0.178 nan 8.190 nan 0.000 0.451 1084 L N -1.724 119.536 121.223 0.060 0.000 1.988 1084 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 1084 L C 2.399 179.314 176.870 0.075 0.000 1.071 1084 L CA 1.645 56.508 54.840 0.037 0.000 0.744 1084 L CB -0.738 41.358 42.059 0.061 0.000 0.893 1084 L HN 0.211 nan 8.230 nan 0.000 0.433 1085 F N 0.791 120.770 119.950 0.049 0.000 1.982 1085 F HA -0.002 4.525 4.527 -0.000 0.000 0.296 1085 F C 1.649 177.515 175.800 0.110 0.000 1.199 1085 F CA 1.319 59.368 58.000 0.083 0.000 1.174 1085 F CB -1.329 37.704 39.000 0.055 0.000 0.963 1085 F HN 0.186 nan 8.300 nan 0.000 0.495 1086 G N 1.577 110.558 108.800 0.301 0.000 2.675 1086 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.196 1086 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.196 1086 G C 0.435 175.475 174.900 0.234 0.000 0.679 1086 G CA 0.114 45.325 45.100 0.186 0.000 0.886 1086 G HN 1.090 nan 8.290 nan 0.000 0.320 1087 N N 0.012 118.811 118.700 0.165 0.000 2.608 1087 N HA -0.312 4.428 4.740 -0.000 0.000 0.246 1087 N C 1.211 176.807 175.510 0.144 0.000 1.162 1087 N CA 1.836 54.967 53.050 0.135 0.000 0.736 1087 N CB -1.085 37.463 38.487 0.102 0.000 1.078 1087 N HN 0.990 nan 8.380 nan 0.000 0.554 1088 L N 0.414 121.755 121.223 0.197 0.000 2.056 1088 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 1088 L C 2.683 179.613 176.870 0.100 0.000 1.078 1088 L CA 2.175 57.096 54.840 0.134 0.000 0.749 1088 L CB -0.562 41.593 42.059 0.160 0.000 0.901 1088 L HN 0.609 nan 8.230 nan 0.000 0.433 1089 T N -2.884 111.758 114.554 0.146 0.000 2.788 1089 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 1089 T C 1.051 175.807 174.700 0.093 0.000 1.044 1089 T CA 0.664 62.834 62.100 0.116 0.000 1.139 1089 T CB -0.327 68.616 68.868 0.126 0.000 0.867 1089 T HN 0.441 nan 8.240 nan 0.000 0.454 1093 E N 0.773 121.025 120.200 0.087 0.000 2.070 1093 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 1093 E C 1.948 178.619 176.600 0.118 0.000 1.004 1093 E CA 2.244 58.698 56.400 0.089 0.000 0.805 1093 E CB -0.177 29.584 29.700 0.102 0.000 0.744 1093 E HN 0.617 nan 8.360 nan 0.000 0.451 1094 F N 2.179 122.155 119.950 0.044 0.000 2.046 1094 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 1094 F C 2.500 178.319 175.800 0.032 0.000 1.123 1094 F CA 1.982 60.016 58.000 0.056 0.000 1.199 1094 F CB -0.599 38.437 39.000 0.061 0.000 0.972 1094 F HN -0.104 nan 8.300 nan 0.000 0.474 1095 Q N 0.622 120.156 119.800 -0.444 0.000 2.096 1095 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 1095 Q C 2.133 177.995 176.000 -0.230 0.000 0.982 1095 Q CA 2.343 57.881 55.803 -0.441 0.000 0.850 1095 Q CB -0.722 27.993 28.738 -0.038 0.000 0.901 1095 Q HN 0.413 nan 8.270 nan 0.000 0.422 1096 V N 0.384 120.217 119.914 -0.136 0.000 2.332 1096 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 1096 V C 2.148 178.164 176.094 -0.130 0.000 1.055 1096 V CA 2.075 64.319 62.300 -0.094 0.000 1.038 1096 V CB -0.579 31.216 31.823 -0.048 0.000 0.651 1096 V HN 0.330 nan 8.190 nan 0.000 0.450 1097 E N -0.284 119.829 120.200 -0.144 0.000 2.072 1097 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 1097 E C 1.852 178.261 176.600 -0.317 0.000 0.985 1097 E CA 1.173 57.496 56.400 -0.128 0.000 0.801 1097 E CB -0.432 29.283 29.700 0.026 0.000 0.750 1097 E HN 0.544 nan 8.360 nan 0.000 0.452 1098 F N 0.508 119.973 119.950 -0.810 0.000 2.126 1098 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 1098 F C 1.948 177.414 175.800 -0.557 0.000 1.096 1098 F CA 1.231 58.563 58.000 -1.112 0.000 1.255 1098 F CB -0.510 37.739 39.000 -1.252 0.000 0.997 1098 F HN 0.168 nan 8.300 nan 0.000 0.479 1099 L N 1.102 122.086 121.223 -0.398 0.000 2.046 1099 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 1099 L C 2.247 178.936 176.870 -0.302 0.000 1.077 1099 L CA 1.924 56.567 54.840 -0.329 0.000 0.747 1099 L CB -1.052 40.937 42.059 -0.116 0.000 0.896 1099 L HN 0.110 nan 8.230 nan 0.000 0.432 1100 K N -0.845 119.417 120.400 -0.229 0.000 2.063 1100 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 1100 K C 1.970 178.458 176.600 -0.186 0.000 1.048 1100 K CA 2.033 58.224 56.287 -0.161 0.000 0.928 1100 K CB -0.663 31.771 32.500 -0.110 0.000 0.713 1100 K HN 0.672 nan 8.250 nan 0.000 0.442 1101 T N 0.111 114.509 114.554 -0.261 0.000 2.788 1101 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 1101 T C 1.974 176.514 174.700 -0.267 0.000 1.044 1101 T CA 0.941 62.906 62.100 -0.226 0.000 1.139 1101 T CB -0.373 68.365 68.868 -0.216 0.000 0.867 1101 T HN 0.086 nan 8.240 nan 0.000 0.454 1102 L N 0.363 121.334 121.223 -0.420 0.000 2.072 1102 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 1102 L C 3.278 180.045 176.870 -0.171 0.000 1.079 1102 L CA 1.291 55.926 54.840 -0.342 0.000 0.752 1102 L CB -0.539 41.247 42.059 -0.455 0.000 0.906 1102 L HN 0.207 nan 8.230 nan 0.000 0.436 1103 E N 0.455 120.563 120.200 -0.153 0.000 2.038 1103 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 1103 E C 1.796 178.363 176.600 -0.056 0.000 1.000 1103 E CA 1.434 57.784 56.400 -0.082 0.000 0.803 1103 E CB -0.355 29.301 29.700 -0.074 0.000 0.750 1103 E HN 0.496 nan 8.360 nan 0.000 0.448 1104 D N 0.044 120.406 120.400 -0.064 0.000 2.104 1104 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 1104 D C 2.017 178.310 176.300 -0.012 0.000 0.994 1104 D CA 1.491 55.471 54.000 -0.033 0.000 0.830 1104 D CB -0.609 40.170 40.800 -0.034 0.000 0.959 1104 D HN 0.302 nan 8.370 nan 0.000 0.452 1105 G N 0.876 109.663 108.800 -0.021 0.000 2.469 1105 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 1105 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 1105 G C 1.711 176.635 174.900 0.041 0.000 1.136 1105 G CA 0.688 45.800 45.100 0.019 0.000 0.759 1105 G HN 0.303 nan 8.290 nan 0.000 0.562 1106 V N 0.326 120.253 119.914 0.023 0.000 3.041 1106 V HA 0.110 4.230 4.120 -0.000 0.000 0.260 1106 V C 2.457 178.574 176.094 0.039 0.000 1.105 1106 V CA 0.981 63.310 62.300 0.048 0.000 1.125 1106 V CB -0.330 31.517 31.823 0.040 0.000 0.730 1106 V HN 0.369 nan 8.190 nan 0.000 0.479 1107 R N -0.522 119.991 120.500 0.021 0.000 2.310 1107 R HA 0.212 4.552 4.340 -0.000 0.000 0.202 1107 R C 1.641 177.951 176.300 0.016 0.000 0.933 1107 R CA 0.161 56.269 56.100 0.014 0.000 1.054 1107 R CB -0.089 30.213 30.300 0.004 0.000 0.985 1107 R HN 0.429 nan 8.270 nan 0.000 0.489 1108 L N 0.810 122.051 121.223 0.029 0.000 2.642 1108 L HA -0.010 4.330 4.340 -0.000 0.000 0.236 1108 L C 0.096 176.974 176.870 0.014 0.000 1.169 1108 L CA 0.548 55.406 54.840 0.030 0.000 0.851 1108 L CB -0.055 42.038 42.059 0.057 0.000 0.968 1108 L HN -0.094 nan 8.230 nan 0.000 0.453 1109 V N -1.034 118.883 119.914 0.004 0.000 2.888 1109 V HA 0.231 4.351 4.120 -0.000 0.000 0.309 1109 V C -1.271 174.809 176.094 -0.023 0.000 1.114 1109 V CA -1.011 61.274 62.300 -0.024 0.000 0.940 1109 V CB 2.217 34.006 31.823 -0.056 0.000 1.021 1109 V HN -0.139 nan 8.190 nan 0.000 0.426 1110 P HA -0.111 nan 4.420 nan 0.000 0.213 1110 P C -0.039 177.249 177.300 -0.021 0.000 1.170 1110 P CA 1.488 64.574 63.100 -0.024 0.000 0.902 1110 P CB 0.500 32.183 31.700 -0.028 0.000 0.789 1111 D N -2.224 118.155 120.400 -0.035 0.000 2.613 1111 D HA 0.205 4.845 4.640 -0.000 0.000 0.230 1111 D C 1.062 177.335 176.300 -0.045 0.000 1.365 1111 D CA -0.388 53.598 54.000 -0.024 0.000 0.976 1111 D CB 0.741 41.532 40.800 -0.015 0.000 1.415 1111 D HN -0.244 nan 8.370 nan 0.000 0.589 1112 L N 2.334 123.550 121.223 -0.012 0.000 2.079 1112 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 1112 L C 1.655 178.544 176.870 0.032 0.000 1.081 1112 L CA 1.039 55.880 54.840 0.002 0.000 0.752 1112 L CB -0.253 41.910 42.059 0.173 0.000 0.896 1112 L HN 0.476 nan 8.230 nan 0.000 0.433 1113 E N 0.586 120.815 120.200 0.048 0.000 2.273 1113 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 1113 E C 1.946 178.562 176.600 0.026 0.000 1.002 1113 E CA 1.239 57.670 56.400 0.052 0.000 0.828 1113 E CB -0.217 29.506 29.700 0.039 0.000 0.747 1113 E HN 0.585 nan 8.360 nan 0.000 0.491 1114 K N -0.292 120.100 120.400 -0.014 0.000 2.323 1114 K HA 0.052 4.372 4.320 -0.000 0.000 0.197 1114 K C 0.087 176.656 176.600 -0.051 0.000 1.043 1114 K CA -0.081 56.189 56.287 -0.028 0.000 0.997 1114 K CB 0.080 32.556 32.500 -0.039 0.000 0.807 1114 K HN -0.062 nan 8.250 nan 0.000 0.497 1115 L N 2.902 124.053 121.223 -0.120 0.000 2.490 1115 L HA 0.021 4.361 4.340 -0.000 0.000 0.274 1115 L C 0.955 177.829 176.870 0.007 0.000 1.201 1115 L CA 0.849 55.577 54.840 -0.188 0.000 0.869 1115 L CB 0.611 42.252 42.059 -0.696 0.000 1.123 1115 L HN 0.221 nan 8.230 nan 0.000 0.484 1116 E N 1.553 121.771 120.200 0.029 0.000 2.465 1116 E HA 0.141 4.491 4.350 -0.000 0.000 0.209 1116 E C -0.215 176.460 176.600 0.124 0.000 0.951 1116 E CA 0.080 56.528 56.400 0.081 0.000 0.997 1116 E CB 0.621 30.345 29.700 0.041 0.000 1.025 1116 E HN 0.496 nan 8.360 nan 0.000 0.500 1117 K N 1.056 121.543 120.400 0.145 0.000 2.316 1117 K HA 0.175 4.495 4.320 -0.000 0.000 0.251 1117 K C 1.051 177.849 176.600 0.329 0.000 0.934 1117 K CA -0.263 56.124 56.287 0.167 0.000 0.802 1117 K CB 2.704 35.260 32.500 0.093 0.000 1.171 1117 K HN -0.149 nan 8.250 nan 0.000 0.426 1118 V N -1.567 118.501 119.914 0.257 0.000 2.392 1118 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 1118 V C 1.696 178.008 176.094 0.363 0.000 1.059 1118 V CA 2.013 64.470 62.300 0.261 0.000 1.051 1118 V CB -0.350 31.498 31.823 0.042 0.000 0.658 1118 V HN 0.913 nan 8.190 nan 0.000 0.455 1119 D N 0.526 121.051 120.400 0.208 0.000 2.228 1119 D HA -0.246 4.394 4.640 -0.000 0.000 0.203 1119 D C 2.102 178.494 176.300 0.153 0.000 0.988 1119 D CA 1.785 55.875 54.000 0.150 0.000 0.864 1119 D CB -0.125 40.725 40.800 0.084 0.000 0.928 1119 D HN 0.743 nan 8.370 nan 0.000 0.469 1120 Q N -1.215 118.675 119.800 0.150 0.000 2.482 1120 Q HA -0.023 4.317 4.340 -0.000 0.000 0.209 1120 Q C 0.862 176.801 176.000 -0.101 0.000 0.961 1120 Q CA 0.201 55.992 55.803 -0.020 0.000 0.945 1120 Q CB 0.083 28.732 28.738 -0.149 0.000 1.012 1120 Q HN 0.341 nan 8.270 nan 0.000 0.515 1121 F N 0.176 120.155 119.950 0.049 0.000 2.695 1121 F HA 0.178 4.704 4.527 -0.000 0.000 0.303 1121 F C 1.542 177.395 175.800 0.088 0.000 1.091 1121 F CA -0.220 57.818 58.000 0.064 0.000 1.300 1121 F CB 0.235 39.275 39.000 0.067 0.000 1.071 1121 F HN -0.112 nan 8.300 nan 0.000 0.578 1122 K N 1.130 121.676 120.400 0.244 0.000 2.066 1122 K HA -0.324 3.996 4.320 -0.000 0.000 0.221 1122 K C 1.903 178.637 176.600 0.224 0.000 1.056 1122 K CA 2.319 58.731 56.287 0.208 0.000 0.950 1122 K CB -0.319 32.258 32.500 0.129 0.000 0.726 1122 K HN 0.262 nan 8.250 nan 0.000 0.456 1123 K N 0.435 120.926 120.400 0.151 0.000 2.044 1123 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 1123 K C 2.190 178.923 176.600 0.221 0.000 1.049 1123 K CA 1.865 58.241 56.287 0.148 0.000 0.927 1123 K CB -0.295 32.251 32.500 0.076 0.000 0.713 1123 K HN -0.001 nan 8.250 nan 0.000 0.443 1124 V N 1.964 122.002 119.914 0.206 0.000 2.270 1124 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 1124 V C 2.314 178.547 176.094 0.232 0.000 1.043 1124 V CA 1.533 63.958 62.300 0.208 0.000 1.014 1124 V CB -0.490 31.467 31.823 0.225 0.000 0.645 1124 V HN 0.279 nan 8.190 nan 0.000 0.447 1125 L N -1.114 120.266 121.223 0.263 0.000 2.013 1125 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 1125 L C 2.424 179.447 176.870 0.255 0.000 1.073 1125 L CA 2.140 57.123 54.840 0.238 0.000 0.753 1125 L CB -0.716 41.485 42.059 0.236 0.000 0.890 1125 L HN 0.341 nan 8.230 nan 0.000 0.432 1126 F N 0.389 120.442 119.950 0.172 0.000 2.046 1126 F HA -0.318 4.208 4.527 -0.000 0.000 0.297 1126 F C 2.979 178.851 175.800 0.119 0.000 1.123 1126 F CA 2.056 60.154 58.000 0.164 0.000 1.199 1126 F CB -0.394 38.702 39.000 0.160 0.000 0.972 1126 F HN -0.028 nan 8.300 nan 0.000 0.474 1127 S N 0.173 116.049 115.700 0.293 0.000 2.370 1127 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 1127 S C 2.139 176.779 174.600 0.068 0.000 1.033 1127 S CA 1.601 59.903 58.200 0.169 0.000 1.011 1127 S CB -0.582 62.724 63.200 0.176 0.000 0.852 1127 S HN 0.406 nan 8.310 nan 0.000 0.457 1128 L N 0.720 121.996 121.223 0.087 0.000 1.976 1128 L HA -0.029 4.310 4.340 -0.000 0.000 0.209 1128 L C 2.916 179.873 176.870 0.146 0.000 1.071 1128 L CA 1.373 56.256 54.840 0.071 0.000 0.746 1128 L CB -1.322 40.826 42.059 0.147 0.000 0.890 1128 L HN 0.477 nan 8.230 nan 0.000 0.432 1129 G N -0.249 108.652 108.800 0.169 0.000 2.469 1129 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.220 1129 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.220 1129 G C 1.561 176.504 174.900 0.071 0.000 1.136 1129 G CA 0.917 46.124 45.100 0.179 0.000 0.759 1129 G HN 0.520 nan 8.290 nan 0.000 0.562 1130 G N 0.660 109.404 108.800 -0.095 0.000 2.446 1130 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 1130 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 1130 G C 2.130 177.089 174.900 0.097 0.000 1.168 1130 G CA 1.488 46.507 45.100 -0.135 0.000 0.771 1130 G HN 0.423 nan 8.290 nan 0.000 0.551 1131 S N 0.687 116.472 115.700 0.142 0.000 2.392 1131 S HA -0.133 4.337 4.470 -0.000 0.000 0.232 1131 S C 1.993 176.800 174.600 0.346 0.000 1.041 1131 S CA 1.447 59.773 58.200 0.209 0.000 1.026 1131 S CB -0.411 62.633 63.200 -0.260 0.000 0.845 1131 S HN 0.402 nan 8.310 nan 0.000 0.465 1132 F N 1.309 121.475 119.950 0.359 0.000 2.146 1132 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 1132 F C 2.075 177.995 175.800 0.201 0.000 1.096 1132 F CA 0.691 58.883 58.000 0.320 0.000 1.275 1132 F CB -0.501 38.574 39.000 0.125 0.000 1.008 1132 F HN 0.114 nan 8.300 nan 0.000 0.480 1133 L N -1.409 119.936 121.223 0.203 0.000 2.046 1133 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 1133 L C 2.303 179.166 176.870 -0.011 0.000 1.077 1133 L CA 1.592 56.434 54.840 0.002 0.000 0.747 1133 L CB -1.008 40.929 42.059 -0.204 0.000 0.896 1133 L HN 0.172 nan 8.230 nan 0.000 0.432 1134 Y N -1.362 118.953 120.300 0.026 0.000 2.145 1134 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 1134 Y C 2.212 177.953 175.900 -0.266 0.000 1.145 1134 Y CA 1.370 59.384 58.100 -0.143 0.000 1.148 1134 Y CB -0.198 38.132 38.460 -0.217 0.000 0.981 1134 Y HN 0.051 nan 8.280 nan 0.000 0.507 1135 Y N -1.486 118.935 120.300 0.202 0.000 2.482 1135 Y HA 0.165 4.715 4.550 -0.000 0.000 0.270 1135 Y C 2.157 178.052 175.900 -0.009 0.000 1.152 1135 Y CA 0.064 58.181 58.100 0.028 0.000 1.292 1135 Y CB -0.546 37.822 38.460 -0.155 0.000 1.070 1135 Y HN 0.079 nan 8.280 nan 0.000 0.528 1136 A N 0.268 123.251 122.820 0.273 0.000 1.971 1136 A HA -0.304 4.016 4.320 -0.000 0.000 0.222 1136 A C 2.163 179.858 177.584 0.186 0.000 1.182 1136 A CA 2.423 54.649 52.037 0.314 0.000 0.649 1136 A CB -0.601 18.505 19.000 0.176 0.000 0.818 1136 A HN 0.468 nan 8.150 nan 0.000 0.458 1137 D N -1.235 119.197 120.400 0.055 0.000 2.183 1137 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 1137 D C 2.129 178.393 176.300 -0.060 0.000 0.962 1137 D CA 0.643 54.637 54.000 -0.010 0.000 0.849 1137 D CB -0.093 40.679 40.800 -0.046 0.000 0.978 1137 D HN 0.442 nan 8.370 nan 0.000 0.488 1138 R N -0.586 119.816 120.500 -0.162 0.000 2.189 1138 R HA -0.025 4.315 4.340 -0.000 0.000 0.218 1138 R C 2.199 178.199 176.300 -0.501 0.000 1.074 1138 R CA 0.280 56.128 56.100 -0.419 0.000 0.991 1138 R CB -0.227 29.701 30.300 -0.619 0.000 0.883 1138 R HN 0.270 nan 8.270 nan 0.000 0.457 1139 F N 1.267 121.117 119.950 -0.166 0.000 2.408 1139 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 1139 F C 1.925 177.780 175.800 0.093 0.000 1.090 1139 F CA 0.544 58.537 58.000 -0.011 0.000 1.427 1139 F CB 0.221 39.217 39.000 -0.006 0.000 1.070 1139 F HN -0.154 nan 8.300 nan 0.000 0.549 1140 K N 0.489 121.026 120.400 0.227 0.000 2.365 1140 K HA -0.036 4.284 4.320 -0.000 0.000 0.199 1140 K C 1.774 178.521 176.600 0.244 0.000 1.045 1140 K CA 0.641 57.085 56.287 0.262 0.000 0.962 1140 K CB -0.570 32.036 32.500 0.176 0.000 0.759 1140 K HN 0.395 nan 8.250 nan 0.000 0.469 1141 L N -0.207 121.114 121.223 0.164 0.000 2.353 1141 L HA -0.156 4.184 4.340 -0.000 0.000 0.220 1141 L C 1.838 178.822 176.870 0.189 0.000 1.133 1141 L CA 0.836 55.743 54.840 0.111 0.000 0.798 1141 L CB -0.598 41.437 42.059 -0.041 0.000 0.922 1141 L HN 0.048 nan 8.230 nan 0.000 0.445 1142 Y N 0.377 120.765 120.300 0.146 0.000 2.293 1142 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 1142 Y C 3.029 179.040 175.900 0.185 0.000 1.137 1142 Y CA 1.283 59.497 58.100 0.190 0.000 1.202 1142 Y CB -0.604 37.968 38.460 0.186 0.000 0.990 1142 Y HN 0.301 nan 8.280 nan 0.000 0.537 1143 S N -0.514 115.350 115.700 0.272 0.000 2.440 1143 S HA -0.210 4.260 4.470 -0.000 0.000 0.238 1143 S C 2.196 176.859 174.600 0.105 0.000 1.010 1143 S CA 0.767 59.059 58.200 0.153 0.000 0.972 1143 S CB -0.692 62.558 63.200 0.083 0.000 0.774 1143 S HN 0.359 nan 8.310 nan 0.000 0.501 1144 A N 1.512 124.407 122.820 0.124 0.000 1.855 1144 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 1144 A C 1.911 179.540 177.584 0.075 0.000 1.191 1144 A CA 1.275 53.357 52.037 0.075 0.000 0.613 1144 A CB -1.191 17.862 19.000 0.089 0.000 0.829 1144 A HN 0.527 nan 8.150 nan 0.000 0.442 1145 F N 0.757 120.698 119.950 -0.014 0.000 2.069 1145 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 1145 F C 2.534 178.357 175.800 0.038 0.000 1.113 1145 F CA 1.866 59.866 58.000 0.001 0.000 1.214 1145 F CB -0.638 38.331 39.000 -0.051 0.000 0.978 1145 F HN 0.317 nan 8.300 nan 0.000 0.474 1146 C N 0.382 119.809 119.300 0.211 0.000 2.411 1146 C HA -0.161 4.299 4.460 -0.000 0.000 0.279 1146 C C 3.104 178.080 174.990 -0.022 0.000 1.288 1146 C CA 1.028 60.105 59.018 0.099 0.000 1.764 1146 C CB -2.028 25.785 27.740 0.122 0.000 1.974 1146 C HN 0.631 nan 8.230 nan 0.000 0.498 1147 A N 1.254 123.996 122.820 -0.131 0.000 1.897 1147 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 1147 A C 2.297 179.694 177.584 -0.313 0.000 1.181 1147 A CA 2.038 53.820 52.037 -0.424 0.000 0.620 1147 A CB -0.800 17.748 19.000 -0.753 0.000 0.821 1147 A HN 0.677 nan 8.150 nan 0.000 0.443 1148 S N -1.046 114.517 115.700 -0.229 0.000 2.428 1148 S HA -0.201 4.269 4.470 -0.000 0.000 0.230 1148 S C 1.710 176.212 174.600 -0.164 0.000 1.014 1148 S CA 1.334 59.432 58.200 -0.170 0.000 0.957 1148 S CB -0.828 62.266 63.200 -0.177 0.000 0.784 1148 S HN 0.737 nan 8.310 nan 0.000 0.499 1149 H N 1.486 120.358 119.070 -0.331 0.000 2.518 1149 H HA -0.009 4.547 4.556 -0.000 0.000 0.292 1149 H C 1.740 177.001 175.328 -0.111 0.000 1.068 1149 H CA 1.718 57.596 56.048 -0.283 0.000 1.275 1149 H CB -0.439 29.154 29.762 -0.282 0.000 1.375 1149 H HN 0.407 nan 8.280 nan 0.000 0.563 1150 T N -0.083 114.512 114.554 0.068 0.000 2.788 1150 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 1150 T C 1.680 176.390 174.700 0.017 0.000 1.044 1150 T CA 1.560 63.711 62.100 0.085 0.000 1.139 1150 T CB -0.019 68.941 68.868 0.153 0.000 0.867 1150 T HN 0.276 nan 8.240 nan 0.000 0.454 1151 K N 0.593 120.979 120.400 -0.023 0.000 2.365 1151 K HA 0.202 4.522 4.320 -0.000 0.000 0.197 1151 K C 1.984 178.530 176.600 -0.091 0.000 1.042 1151 K CA 0.053 56.314 56.287 -0.044 0.000 0.987 1151 K CB -0.411 32.069 32.500 -0.035 0.000 0.779 1151 K HN 0.118 nan 8.250 nan 0.000 0.484 1152 V N 1.760 121.565 119.914 -0.183 0.000 2.252 1152 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 1152 V C -0.925 175.087 176.094 -0.138 0.000 1.056 1152 V CA 2.060 64.216 62.300 -0.239 0.000 1.022 1152 V CB -1.031 30.459 31.823 -0.555 0.000 0.641 1152 V HN 0.204 nan 8.190 nan 0.000 0.445 1153 P HA -0.233 nan 4.420 nan 0.000 0.214 1153 P C 1.769 179.059 177.300 -0.016 0.000 1.169 1153 P CA 1.782 64.858 63.100 -0.040 0.000 0.908 1153 P CB -0.112 31.580 31.700 -0.013 0.000 0.791 1154 K N -0.189 120.199 120.400 -0.019 0.000 2.113 1154 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 1154 K C 1.755 178.350 176.600 -0.007 0.000 1.047 1154 K CA 1.563 57.843 56.287 -0.011 0.000 0.928 1154 K CB -0.535 31.955 32.500 -0.017 0.000 0.716 1154 K HN -0.063 nan 8.250 nan 0.000 0.446 1155 V N 1.504 121.409 119.914 -0.015 0.000 2.323 1155 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 1155 V C 2.275 178.399 176.094 0.050 0.000 1.041 1155 V CA 1.473 63.767 62.300 -0.010 0.000 1.025 1155 V CB -0.329 31.480 31.823 -0.024 0.000 0.656 1155 V HN 0.326 nan 8.190 nan 0.000 0.451 1156 L N 0.006 121.275 121.223 0.077 0.000 2.191 1156 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 1156 L C 1.940 178.904 176.870 0.156 0.000 1.103 1156 L CA 0.801 55.741 54.840 0.167 0.000 0.769 1156 L CB -0.473 41.638 42.059 0.086 0.000 0.908 1156 L HN 0.227 nan 8.230 nan 0.000 0.438 1157 V N 0.119 120.083 119.914 0.084 0.000 3.570 1157 V HA -0.134 3.986 4.120 -0.000 0.000 0.293 1157 V C 1.960 178.100 176.094 0.076 0.000 1.237 1157 V CA 0.956 63.295 62.300 0.066 0.000 1.226 1157 V CB -0.710 31.133 31.823 0.034 0.000 1.028 1157 V HN 0.384 nan 8.190 nan 0.000 0.430 1158 K N 0.531 121.005 120.400 0.123 0.000 2.352 1158 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 1158 K C 2.093 178.825 176.600 0.220 0.000 1.038 1158 K CA 0.808 57.155 56.287 0.101 0.000 1.023 1158 K CB 0.124 32.621 32.500 -0.004 0.000 0.840 1158 K HN 0.420 nan 8.250 nan 0.000 0.519 1159 A N 1.666 124.701 122.820 0.358 0.000 1.969 1159 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 1159 A C 1.700 179.337 177.584 0.087 0.000 1.169 1159 A CA 1.070 53.271 52.037 0.273 0.000 0.635 1159 A CB -0.193 18.786 19.000 -0.035 0.000 0.810 1159 A HN 0.110 nan 8.150 nan 0.000 0.445 1160 K N -0.277 120.165 120.400 0.070 0.000 2.360 1160 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 1160 K C 1.576 178.195 176.600 0.031 0.000 1.046 1160 K CA 1.608 57.915 56.287 0.034 0.000 0.945 1160 K CB -0.406 32.113 32.500 0.031 0.000 0.750 1160 K HN 0.558 nan 8.250 nan 0.000 0.464 1161 T N 0.596 115.178 114.554 0.045 0.000 3.031 1161 T HA 0.009 4.359 4.350 -0.000 0.000 0.236 1161 T C 0.248 174.963 174.700 0.024 0.000 1.005 1161 T CA 0.210 62.328 62.100 0.029 0.000 1.230 1161 T CB 0.062 68.943 68.868 0.023 0.000 0.913 1161 T HN 0.087 nan 8.240 nan 0.000 0.419 1162 D N 3.179 123.599 120.400 0.034 0.000 2.383 1162 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 1162 D C 1.377 177.669 176.300 -0.014 0.000 1.263 1162 D CA 0.148 54.151 54.000 0.006 0.000 0.936 1162 D CB 1.320 42.105 40.800 -0.024 0.000 1.053 1162 D HN 0.464 nan 8.370 nan 0.000 0.507 1163 T N 0.025 114.571 114.554 -0.013 0.000 2.721 1163 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 1163 T C 1.919 176.591 174.700 -0.047 0.000 1.038 1163 T CA 1.262 63.350 62.100 -0.020 0.000 1.145 1163 T CB -0.013 68.855 68.868 -0.000 0.000 0.858 1163 T HN 0.340 nan 8.240 nan 0.000 0.459 1164 A N 1.246 124.029 122.820 -0.061 0.000 1.865 1164 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 1164 A C 2.073 179.403 177.584 -0.423 0.000 1.191 1164 A CA 1.729 53.715 52.037 -0.085 0.000 0.623 1164 A CB -1.219 17.807 19.000 0.044 0.000 0.826 1164 A HN 0.511 nan 8.150 nan 0.000 0.444 1165 F N 1.129 120.495 119.950 -0.972 0.000 2.051 1165 F HA -0.160 4.367 4.527 -0.000 0.000 0.296 1165 F C 2.164 177.786 175.800 -0.297 0.000 1.122 1165 F CA 2.321 59.658 58.000 -1.104 0.000 1.201 1165 F CB -0.587 37.996 39.000 -0.695 0.000 0.978 1165 F HN 0.215 nan 8.300 nan 0.000 0.472 1166 K N 1.040 121.258 120.400 -0.302 0.000 2.127 1166 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 1166 K C 2.030 178.525 176.600 -0.175 0.000 1.047 1166 K CA 1.808 57.931 56.287 -0.272 0.000 0.927 1166 K CB -1.048 31.381 32.500 -0.120 0.000 0.716 1166 K HN 0.334 nan 8.250 nan 0.000 0.450 1167 A N -0.015 122.753 122.820 -0.087 0.000 1.877 1167 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 1167 A C 2.199 179.817 177.584 0.057 0.000 1.186 1167 A CA 1.616 53.656 52.037 0.004 0.000 0.620 1167 A CB -1.006 18.034 19.000 0.067 0.000 0.822 1167 A HN 0.485 nan 8.150 nan 0.000 0.443 1168 F N 0.805 120.759 119.950 0.008 0.000 2.069 1168 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 1168 F C 1.970 177.769 175.800 -0.003 0.000 1.113 1168 F CA 1.873 59.949 58.000 0.128 0.000 1.214 1168 F CB -0.459 38.845 39.000 0.506 0.000 0.978 1168 F HN 0.153 nan 8.300 nan 0.000 0.474 1169 L N -0.002 121.113 121.223 -0.180 0.000 2.012 1169 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 1169 L C 2.324 179.080 176.870 -0.190 0.000 1.073 1169 L CA 1.785 56.494 54.840 -0.217 0.000 0.748 1169 L CB -1.018 40.908 42.059 -0.222 0.000 0.891 1169 L HN 0.167 nan 8.230 nan 0.000 0.431 1170 D N 0.263 120.576 120.400 -0.146 0.000 2.123 1170 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 1170 D C 2.214 178.433 176.300 -0.135 0.000 0.992 1170 D CA 1.570 55.510 54.000 -0.100 0.000 0.833 1170 D CB -0.034 40.727 40.800 -0.067 0.000 0.954 1170 D HN 0.354 nan 8.370 nan 0.000 0.455 1171 A N 1.225 123.941 122.820 -0.174 0.000 1.940 1171 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 1171 A C 2.076 179.493 177.584 -0.278 0.000 1.176 1171 A CA 1.360 53.287 52.037 -0.184 0.000 0.631 1171 A CB -0.339 18.569 19.000 -0.154 0.000 0.814 1171 A HN 0.097 nan 8.150 nan 0.000 0.446 1172 Q N -0.519 119.003 119.800 -0.463 0.000 2.378 1172 Q HA -0.016 4.324 4.340 -0.000 0.000 0.205 1172 Q C 0.547 176.324 176.000 -0.371 0.000 0.954 1172 Q CA 0.673 56.128 55.803 -0.581 0.000 0.901 1172 Q CB -0.491 27.588 28.738 -1.098 0.000 0.981 1172 Q HN 0.842 nan 8.270 nan 0.000 0.483 1173 N N 1.465 120.052 118.700 -0.189 0.000 3.012 1173 N HA 0.097 4.837 4.740 -0.000 0.000 0.270 1173 N C -1.851 173.635 175.510 -0.040 0.000 1.469 1173 N CA -1.476 51.554 53.050 -0.034 0.000 0.928 1173 N CB 1.034 39.563 38.487 0.071 0.000 1.219 1173 N HN -0.131 nan 8.380 nan 0.000 0.492 1174 P HA -0.194 nan 4.420 nan 0.000 0.215 1174 P C 0.656 177.947 177.300 -0.014 0.000 1.157 1174 P CA 1.158 64.234 63.100 -0.039 0.000 0.868 1174 P CB 0.159 31.834 31.700 -0.043 0.000 0.788 1175 R N -0.521 119.978 120.500 -0.001 0.000 2.355 1175 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 1175 R C 0.862 177.170 176.300 0.014 0.000 1.107 1175 R CA 0.359 56.465 56.100 0.009 0.000 1.021 1175 R CB -0.724 29.587 30.300 0.019 0.000 0.852 1175 R HN 0.231 nan 8.270 nan 0.000 0.475 1176 Q N 0.539 120.347 119.800 0.013 0.000 2.457 1176 Q HA -0.206 4.134 4.340 -0.000 0.000 0.283 1176 Q C -0.917 175.105 176.000 0.035 0.000 1.234 1176 Q CA 1.054 56.868 55.803 0.019 0.000 0.877 1176 Q CB -1.069 27.675 28.738 0.011 0.000 1.250 1176 Q HN 0.338 nan 8.270 nan 0.000 0.481 1177 Q N -1.068 118.757 119.800 0.043 0.000 2.307 1177 Q HA 0.230 4.570 4.340 -0.000 0.000 0.262 1177 Q C 0.619 176.660 176.000 0.068 0.000 0.961 1177 Q CA -0.195 55.640 55.803 0.055 0.000 0.882 1177 Q CB 1.081 29.842 28.738 0.038 0.000 1.264 1177 Q HN 0.329 nan 8.270 nan 0.000 0.446 1178 H N 1.601 120.668 119.070 -0.004 0.000 2.319 1178 H HA -0.149 4.407 4.556 -0.000 0.000 0.297 1178 H C 1.453 176.763 175.328 -0.031 0.000 1.097 1178 H CA 2.511 58.552 56.048 -0.012 0.000 1.285 1178 H CB 0.354 30.106 29.762 -0.016 0.000 1.368 1178 H HN 0.646 nan 8.280 nan 0.000 0.495 1179 S N -1.363 114.305 115.700 -0.054 0.000 2.584 1179 S HA -0.064 4.406 4.470 -0.000 0.000 0.240 1179 S C 1.469 175.924 174.600 -0.242 0.000 0.975 1179 S CA 0.963 59.067 58.200 -0.159 0.000 0.949 1179 S CB -0.095 63.068 63.200 -0.063 0.000 0.761 1179 S HN 0.362 nan 8.310 nan 0.000 0.536 1180 S N 1.037 116.658 115.700 -0.132 0.000 2.701 1180 S HA 0.192 4.662 4.470 -0.000 0.000 0.242 1180 S C 0.710 175.406 174.600 0.161 0.000 1.025 1180 S CA -0.025 58.186 58.200 0.019 0.000 1.016 1180 S CB 0.555 63.828 63.200 0.121 0.000 0.977 1180 S HN 0.837 nan 8.310 nan 0.000 0.546 1181 T N 0.370 114.897 114.554 -0.046 0.000 2.766 1181 T HA 0.342 4.692 4.350 -0.000 0.000 0.295 1181 T C 1.187 175.806 174.700 -0.136 0.000 1.024 1181 T CA -0.537 61.540 62.100 -0.040 0.000 1.018 1181 T CB 0.417 69.195 68.868 -0.150 0.000 1.002 1181 T HN -0.017 nan 8.240 nan 0.000 0.532 1182 L N 0.680 121.691 121.223 -0.353 0.000 2.093 1182 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 1182 L C 2.365 179.114 176.870 -0.201 0.000 1.085 1182 L CA 1.769 56.265 54.840 -0.573 0.000 0.755 1182 L CB -1.235 40.483 42.059 -0.567 0.000 0.904 1182 L HN 0.790 nan 8.230 nan 0.000 0.435 1183 E N -1.068 119.046 120.200 -0.143 0.000 2.153 1183 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 1183 E C 2.365 178.930 176.600 -0.058 0.000 0.988 1183 E CA 1.196 57.556 56.400 -0.068 0.000 0.811 1183 E CB -0.494 29.181 29.700 -0.042 0.000 0.746 1183 E HN 0.473 nan 8.360 nan 0.000 0.466 1184 S N -1.008 114.582 115.700 -0.183 0.000 2.402 1184 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 1184 S C 1.576 176.063 174.600 -0.188 0.000 1.021 1184 S CA 0.766 58.823 58.200 -0.238 0.000 0.974 1184 S CB -0.172 62.776 63.200 -0.419 0.000 0.800 1184 S HN 0.325 nan 8.310 nan 0.000 0.484 1185 Y N 1.300 121.553 120.300 -0.078 0.000 2.206 1185 Y HA 0.214 4.764 4.550 -0.000 0.000 0.292 1185 Y C 2.012 177.956 175.900 0.073 0.000 1.123 1185 Y CA 0.873 58.961 58.100 -0.021 0.000 1.142 1185 Y CB -0.228 38.184 38.460 -0.081 0.000 1.006 1185 Y HN 0.149 nan 8.280 nan 0.000 0.518 1186 L N -0.276 121.106 121.223 0.265 0.000 2.642 1186 L HA -0.177 4.163 4.340 -0.000 0.000 0.236 1186 L C 1.650 178.868 176.870 0.581 0.000 1.169 1186 L CA 0.765 55.853 54.840 0.413 0.000 0.851 1186 L CB -0.288 41.911 42.059 0.233 0.000 0.968 1186 L HN 0.330 nan 8.230 nan 0.000 0.453 1187 I N -1.169 119.613 120.570 0.353 0.000 4.035 1187 I HA -0.055 4.115 4.170 -0.000 0.000 0.321 1187 I C 2.113 178.318 176.117 0.146 0.000 1.289 1187 I CA 0.727 62.172 61.300 0.242 0.000 1.236 1187 I CB -0.034 38.053 38.000 0.145 0.000 1.076 1187 I HN -0.018 nan 8.210 nan 0.000 0.418 1188 K N 1.139 121.633 120.400 0.157 0.000 2.044 1188 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 1188 K C -0.558 176.138 176.600 0.160 0.000 1.049 1188 K CA 2.081 58.457 56.287 0.148 0.000 0.927 1188 K CB -1.493 31.147 32.500 0.233 0.000 0.713 1188 K HN 0.319 nan 8.250 nan 0.000 0.443 1189 P HA -0.164 nan 4.420 nan 0.000 0.215 1189 P C 1.236 178.659 177.300 0.206 0.000 1.157 1189 P CA 1.254 64.476 63.100 0.203 0.000 0.868 1189 P CB -0.005 31.431 31.700 -0.439 0.000 0.788 1190 I N -1.044 119.620 120.570 0.157 0.000 2.454 1190 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 1190 I C 2.262 178.371 176.117 -0.014 0.000 1.156 1190 I CA 1.493 62.860 61.300 0.111 0.000 1.433 1190 I CB -0.608 37.411 38.000 0.032 0.000 1.082 1190 I HN 0.081 nan 8.210 nan 0.000 0.432 1191 Q N -0.020 119.747 119.800 -0.056 0.000 2.123 1191 Q HA -0.126 4.214 4.340 -0.000 0.000 0.196 1191 Q C 2.265 178.109 176.000 -0.260 0.000 0.958 1191 Q CA 0.584 56.310 55.803 -0.128 0.000 0.841 1191 Q CB -0.125 28.553 28.738 -0.100 0.000 0.915 1191 Q HN 0.211 nan 8.270 nan 0.000 0.455 1192 R N 1.470 121.747 120.500 -0.371 0.000 2.080 1192 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 1192 R C 2.208 177.995 176.300 -0.855 0.000 1.137 1192 R CA 2.005 57.685 56.100 -0.700 0.000 0.943 1192 R CB -1.052 28.555 30.300 -1.154 0.000 0.846 1192 R HN 0.285 nan 8.270 nan 0.000 0.431 1193 V N -1.105 118.443 119.914 -0.609 0.000 2.287 1193 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 1193 V C 2.030 177.887 176.094 -0.395 0.000 1.053 1193 V CA 1.656 63.622 62.300 -0.557 0.000 1.027 1193 V CB -0.909 30.563 31.823 -0.585 0.000 0.646 1193 V HN 0.134 nan 8.190 nan 0.000 0.447 1194 L N -0.136 120.903 121.223 -0.306 0.000 2.549 1194 L HA 0.015 4.355 4.340 -0.000 0.000 0.230 1194 L C 2.395 179.129 176.870 -0.227 0.000 1.162 1194 L CA 1.361 56.072 54.840 -0.214 0.000 0.834 1194 L CB -1.244 40.725 42.059 -0.149 0.000 0.947 1194 L HN 0.368 nan 8.230 nan 0.000 0.452 1195 K N -1.662 118.531 120.400 -0.345 0.000 2.211 1195 K HA 0.004 4.324 4.320 -0.000 0.000 0.201 1195 K C 2.135 178.603 176.600 -0.220 0.000 1.052 1195 K CA 0.702 56.812 56.287 -0.295 0.000 0.973 1195 K CB -0.284 31.994 32.500 -0.370 0.000 0.766 1195 K HN 0.303 nan 8.250 nan 0.000 0.466 1196 Y N 2.187 122.362 120.300 -0.209 0.000 2.069 1196 Y HA -0.218 4.332 4.550 -0.000 0.000 0.278 1196 Y C -0.381 175.331 175.900 -0.314 0.000 1.175 1196 Y CA 1.310 59.264 58.100 -0.244 0.000 1.134 1196 Y CB -1.503 36.778 38.460 -0.298 0.000 0.965 1196 Y HN 0.139 nan 8.280 nan 0.000 0.498 1197 P HA -0.180 nan 4.420 nan 0.000 0.218 1197 P C 1.332 178.549 177.300 -0.137 0.000 1.148 1197 P CA 1.571 64.564 63.100 -0.179 0.000 0.822 1197 P CB -0.144 31.463 31.700 -0.155 0.000 0.784 1198 L N -1.051 120.111 121.223 -0.103 0.000 2.027 1198 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 1198 L C 2.901 179.739 176.870 -0.053 0.000 1.074 1198 L CA 1.220 56.016 54.840 -0.074 0.000 0.745 1198 L CB -1.044 40.972 42.059 -0.071 0.000 0.898 1198 L HN -0.096 nan 8.230 nan 0.000 0.433 1199 L N -0.454 120.742 121.223 -0.044 0.000 2.046 1199 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 1199 L C 2.544 179.398 176.870 -0.027 0.000 1.077 1199 L CA 1.200 56.035 54.840 -0.009 0.000 0.747 1199 L CB -0.402 41.690 42.059 0.054 0.000 0.896 1199 L HN 0.270 nan 8.230 nan 0.000 0.432 1200 L N -0.774 120.387 121.223 -0.103 0.000 2.056 1200 L HA -0.181 4.158 4.340 -0.000 0.000 0.207 1200 L C 2.768 179.605 176.870 -0.054 0.000 1.078 1200 L CA 1.167 55.927 54.840 -0.134 0.000 0.749 1200 L CB -0.486 41.389 42.059 -0.307 0.000 0.901 1200 L HN 0.205 nan 8.230 nan 0.000 0.433 1201 R N -0.307 120.158 120.500 -0.059 0.000 2.193 1201 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 1201 R C 2.059 178.428 176.300 0.115 0.000 1.110 1201 R CA 0.760 56.878 56.100 0.029 0.000 0.988 1201 R CB -0.127 30.172 30.300 -0.002 0.000 0.871 1201 R HN 0.385 nan 8.270 nan 0.000 0.458 1202 E N 0.794 121.026 120.200 0.053 0.000 2.076 1202 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 1202 E C 2.146 178.778 176.600 0.052 0.000 0.979 1202 E CA 0.767 57.195 56.400 0.045 0.000 0.807 1202 E CB -0.102 29.608 29.700 0.015 0.000 0.761 1202 E HN 0.319 nan 8.360 nan 0.000 0.454 1203 L N 0.137 121.394 121.223 0.056 0.000 2.083 1203 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 1203 L C 2.468 179.404 176.870 0.110 0.000 1.083 1203 L CA 0.920 55.791 54.840 0.050 0.000 0.752 1203 L CB -0.483 41.610 42.059 0.056 0.000 0.899 1203 L HN 0.049 nan 8.230 nan 0.000 0.433 1204 F N 1.254 121.184 119.950 -0.033 0.000 2.126 1204 F HA -0.248 4.279 4.527 0.000 0.000 0.299 1204 F C 2.417 178.255 175.800 0.064 0.000 1.096 1204 F CA 1.283 59.264 58.000 -0.032 0.000 1.255 1204 F CB -0.343 38.595 39.000 -0.105 0.000 0.997 1204 F HN 0.001 nan 8.300 nan 0.000 0.479 1205 A N -0.183 122.654 122.820 0.028 0.000 2.121 1205 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 1205 A C 1.970 179.510 177.584 -0.073 0.000 1.154 1205 A CA 1.185 53.184 52.037 -0.064 0.000 0.679 1205 A CB -0.952 18.055 19.000 0.012 0.000 0.795 1205 A HN 0.460 nan 8.150 nan 0.000 0.458 1206 L N 0.557 121.753 121.223 -0.045 0.000 2.653 1206 L HA 0.114 4.454 4.340 -0.000 0.000 0.231 1206 L C 0.461 177.301 176.870 -0.050 0.000 1.153 1206 L CA 0.245 55.052 54.840 -0.054 0.000 0.933 1206 L CB -0.220 41.800 42.059 -0.064 0.000 1.175 1206 L HN 0.428 nan 8.230 nan 0.000 0.473 1207 T N -4.636 109.894 114.554 -0.040 0.000 2.856 1207 T HA 0.269 4.619 4.350 -0.000 0.000 0.283 1207 T C -0.330 174.301 174.700 -0.115 0.000 1.008 1207 T CA -0.883 61.212 62.100 -0.008 0.000 0.997 1207 T CB 2.340 71.270 68.868 0.104 0.000 0.992 1207 T HN -0.104 nan 8.240 nan 0.000 0.454 1208 D N 1.636 121.963 120.400 -0.123 0.000 2.531 1208 D HA 0.120 4.760 4.640 -0.000 0.000 0.239 1208 D C 1.398 177.424 176.300 -0.457 0.000 1.144 1208 D CA 0.225 54.097 54.000 -0.212 0.000 0.869 1208 D CB 0.841 41.574 40.800 -0.112 0.000 1.160 1208 D HN 0.749 nan 8.370 nan 0.000 0.484 1209 A N 4.613 127.064 122.820 -0.615 0.000 2.186 1209 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 1209 A C 1.554 178.893 177.584 -0.409 0.000 1.159 1209 A CA 1.119 52.616 52.037 -0.900 0.000 0.680 1209 A CB -0.096 18.619 19.000 -0.474 0.000 0.787 1209 A HN 0.601 nan 8.150 nan 0.000 0.467 1210 E N 0.080 120.150 120.200 -0.216 0.000 2.489 1210 E HA 0.062 4.412 4.350 -0.000 0.000 0.204 1210 E C 0.756 177.344 176.600 -0.019 0.000 1.006 1210 E CA 0.586 56.941 56.400 -0.075 0.000 0.936 1210 E CB 0.056 29.719 29.700 -0.062 0.000 1.002 1210 E HN 0.675 nan 8.360 nan 0.000 0.488 1211 S N 0.658 116.348 115.700 -0.018 0.000 2.624 1211 S HA 0.193 4.663 4.470 -0.000 0.000 0.263 1211 S C 1.091 175.735 174.600 0.074 0.000 1.287 1211 S CA -0.532 57.684 58.200 0.026 0.000 0.990 1211 S CB 1.675 64.889 63.200 0.023 0.000 0.950 1211 S HN -0.148 nan 8.310 nan 0.000 0.561 1212 E N 0.879 121.079 120.200 -0.000 0.000 2.112 1212 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 1212 E C 1.841 178.257 176.600 -0.308 0.000 0.979 1212 E CA 0.894 57.214 56.400 -0.132 0.000 0.814 1212 E CB -0.413 29.172 29.700 -0.192 0.000 0.762 1212 E HN 0.728 nan 8.360 nan 0.000 0.460 1213 E N 0.172 120.309 120.200 -0.105 0.000 2.070 1213 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 1213 E C 1.944 178.625 176.600 0.134 0.000 1.004 1213 E CA 1.469 57.893 56.400 0.039 0.000 0.805 1213 E CB -0.526 29.246 29.700 0.120 0.000 0.744 1213 E HN 0.370 nan 8.360 nan 0.000 0.451 1214 H N -0.941 118.168 119.070 0.064 0.000 2.267 1214 H HA -0.199 4.357 4.556 -0.000 0.000 0.297 1214 H C 1.956 177.465 175.328 0.301 0.000 1.080 1214 H CA 2.096 58.235 56.048 0.153 0.000 1.278 1214 H CB -0.535 29.252 29.762 0.041 0.000 1.365 1214 H HN 0.278 nan 8.280 nan 0.000 0.489 1215 Y N 0.652 121.071 120.300 0.199 0.000 2.151 1215 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 1215 Y C 2.377 178.386 175.900 0.181 0.000 1.166 1215 Y CA 2.345 60.540 58.100 0.157 0.000 1.163 1215 Y CB -0.771 37.770 38.460 0.135 0.000 0.974 1215 Y HN 0.491 nan 8.280 nan 0.000 0.511 1216 H N -0.707 118.301 119.070 -0.104 0.000 2.293 1216 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 1216 H C 2.340 177.526 175.328 -0.236 0.000 1.082 1216 H CA 1.333 57.248 56.048 -0.223 0.000 1.308 1216 H CB -0.282 29.480 29.762 0.001 0.000 1.375 1216 H HN 0.306 nan 8.280 nan 0.000 0.495 1217 L N 0.424 121.666 121.223 0.032 0.000 2.042 1217 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 1217 L C 2.296 178.995 176.870 -0.284 0.000 1.076 1217 L CA 1.481 56.290 54.840 -0.052 0.000 0.749 1217 L CB -0.345 41.782 42.059 0.113 0.000 0.893 1217 L HN 0.318 nan 8.230 nan 0.000 0.432 1218 D N -0.418 119.760 120.400 -0.370 0.000 2.182 1218 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 1218 D C 2.040 178.096 176.300 -0.408 0.000 0.986 1218 D CA 1.028 54.684 54.000 -0.574 0.000 0.847 1218 D CB 0.170 40.748 40.800 -0.371 0.000 0.942 1218 D HN 0.056 nan 8.370 nan 0.000 0.467 1219 V N 0.475 120.153 119.914 -0.394 0.000 2.358 1219 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 1219 V C 2.567 178.517 176.094 -0.240 0.000 1.047 1219 V CA 1.625 63.728 62.300 -0.327 0.000 1.035 1219 V CB -0.891 30.697 31.823 -0.392 0.000 0.658 1219 V HN 0.329 nan 8.190 nan 0.000 0.452 1220 A N -0.075 122.609 122.820 -0.227 0.000 1.933 1220 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 1220 A C 2.190 179.633 177.584 -0.235 0.000 1.175 1220 A CA 1.904 53.836 52.037 -0.176 0.000 0.628 1220 A CB -0.505 18.414 19.000 -0.135 0.000 0.814 1220 A HN 0.505 nan 8.150 nan 0.000 0.444 1221 I N -0.994 119.396 120.570 -0.300 0.000 2.133 1221 I HA -0.234 3.935 4.170 -0.000 0.000 0.238 1221 I C 2.446 178.421 176.117 -0.236 0.000 1.074 1221 I CA 1.606 62.719 61.300 -0.312 0.000 1.342 1221 I CB -0.295 37.458 38.000 -0.412 0.000 1.053 1221 I HN 0.131 nan 8.210 nan 0.000 0.404 1222 K N 0.658 120.924 120.400 -0.223 0.000 2.089 1222 K HA -0.107 4.212 4.320 -0.000 0.000 0.210 1222 K C 1.058 177.589 176.600 -0.114 0.000 1.048 1222 K CA 1.003 57.197 56.287 -0.154 0.000 0.926 1222 K CB -0.873 31.547 32.500 -0.135 0.000 0.714 1222 K HN 0.326 nan 8.250 nan 0.000 0.448 1226 K N 1.511 121.893 120.400 -0.030 0.000 2.063 1226 K HA 0.021 4.341 4.320 -0.000 0.000 0.208 1226 K C 1.759 178.390 176.600 0.051 0.000 1.048 1226 K CA 1.575 57.867 56.287 0.009 0.000 0.928 1226 K CB -0.009 32.489 32.500 -0.004 0.000 0.713 1226 K HN -0.063 nan 8.250 nan 0.000 0.442 1227 V N 1.587 121.521 119.914 0.034 0.000 2.255 1227 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 1227 V C 2.435 178.574 176.094 0.075 0.000 1.051 1227 V CA 2.158 64.503 62.300 0.075 0.000 1.018 1227 V CB -0.890 30.953 31.823 0.034 0.000 0.641 1227 V HN 0.389 nan 8.190 nan 0.000 0.445 1228 A N -0.592 122.226 122.820 -0.003 0.000 1.865 1228 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 1228 A C 2.566 180.160 177.584 0.017 0.000 1.191 1228 A CA 2.569 54.596 52.037 -0.018 0.000 0.623 1228 A CB -1.088 17.879 19.000 -0.056 0.000 0.826 1228 A HN 0.478 nan 8.150 nan 0.000 0.444 1229 S N -1.613 114.103 115.700 0.026 0.000 2.383 1229 S HA -0.260 4.210 4.470 -0.000 0.000 0.229 1229 S C 1.984 176.625 174.600 0.068 0.000 1.030 1229 S CA 1.957 60.180 58.200 0.037 0.000 1.002 1229 S CB -0.508 62.714 63.200 0.036 0.000 0.829 1229 S HN 0.821 nan 8.310 nan 0.000 0.467 1230 H N 1.192 120.276 119.070 0.024 0.000 2.357 1230 H HA 0.055 4.611 4.556 -0.000 0.000 0.301 1230 H C 1.912 177.275 175.328 0.058 0.000 1.082 1230 H CA 1.963 58.037 56.048 0.044 0.000 1.342 1230 H CB -0.339 29.449 29.762 0.045 0.000 1.389 1230 H HN 0.331 nan 8.280 nan 0.000 0.511 1231 I N 0.806 121.354 120.570 -0.037 0.000 2.208 1231 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 1231 I C 2.185 178.264 176.117 -0.063 0.000 1.097 1231 I CA 1.536 62.808 61.300 -0.047 0.000 1.363 1231 I CB -1.321 36.713 38.000 0.056 0.000 1.051 1231 I HN 0.392 nan 8.210 nan 0.000 0.413 1232 N N 0.759 119.440 118.700 -0.031 0.000 2.084 1232 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 1232 N C 1.066 176.562 175.510 -0.023 0.000 1.030 1232 N CA 0.835 53.877 53.050 -0.014 0.000 0.849 1232 N CB -0.001 38.486 38.487 -0.001 0.000 1.012 1232 N HN 0.281 nan 8.380 nan 0.000 0.423 1236 K N 0.793 121.228 120.400 0.060 0.000 2.097 1236 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 1236 K C 1.635 178.284 176.600 0.082 0.000 1.049 1236 K CA 1.703 58.023 56.287 0.056 0.000 0.933 1236 K CB -0.128 32.398 32.500 0.044 0.000 0.717 1236 K HN 0.376 nan 8.250 nan 0.000 0.442 1237 I N 0.191 120.824 120.570 0.104 0.000 2.202 1237 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 1237 I C 2.498 178.730 176.117 0.192 0.000 1.091 1237 I CA 1.490 62.897 61.300 0.178 0.000 1.368 1237 I CB -0.465 37.604 38.000 0.114 0.000 1.058 1237 I HN 0.335 nan 8.210 nan 0.000 0.410 1238 H N 1.297 120.420 119.070 0.089 0.000 2.390 1238 H HA -0.202 4.354 4.556 -0.000 0.000 0.298 1238 H C 2.050 177.356 175.328 -0.036 0.000 1.106 1238 H CA 1.952 58.031 56.048 0.052 0.000 1.297 1238 H CB -0.014 29.788 29.762 0.067 0.000 1.375 1238 H HN 0.323 nan 8.280 nan 0.000 0.509 1239 E N -0.359 119.788 120.200 -0.088 0.000 2.110 1239 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 1239 E C 2.136 178.590 176.600 -0.243 0.000 0.988 1239 E CA 1.271 57.569 56.400 -0.171 0.000 0.804 1239 E CB 0.021 29.692 29.700 -0.049 0.000 0.745 1239 E HN 0.705 nan 8.360 nan 0.000 0.458 1240 E N -0.530 119.552 120.200 -0.197 0.000 2.122 1240 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 1240 E C 0.939 177.118 176.600 -0.701 0.000 0.977 1240 E CA 0.586 56.780 56.400 -0.343 0.000 0.820 1240 E CB 0.212 29.744 29.700 -0.280 0.000 0.770 1240 E HN 0.167 nan 8.360 nan 0.000 0.462 1241 F N -0.798 118.815 119.950 -0.562 0.000 2.682 1241 F HA 0.379 4.906 4.527 -0.000 0.000 0.308 1241 F C 1.809 176.756 175.800 -1.420 0.000 1.093 1241 F CA 0.101 57.438 58.000 -1.103 0.000 1.244 1241 F CB 0.559 38.707 39.000 -1.420 0.000 1.052 1241 F HN 0.068 nan 8.300 nan 0.000 0.573 1242 G N 0.757 109.072 108.800 -0.808 0.000 2.476 1242 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 1242 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 1242 G C 1.956 176.592 174.900 -0.439 0.000 1.164 1242 G CA 1.127 45.845 45.100 -0.637 0.000 0.768 1242 G HN 0.391 nan 8.290 nan 0.000 0.560 1243 A N 0.151 122.676 122.820 -0.493 0.000 1.859 1243 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 1243 A C 2.652 180.039 177.584 -0.328 0.000 1.198 1243 A CA 2.363 54.185 52.037 -0.358 0.000 0.629 1243 A CB -0.965 17.806 19.000 -0.382 0.000 0.830 1243 A HN 0.344 nan 8.150 nan 0.000 0.446 1244 V N -0.727 118.883 119.914 -0.508 0.000 2.287 1244 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 1244 V C 2.378 178.416 176.094 -0.094 0.000 1.053 1244 V CA 2.193 64.291 62.300 -0.337 0.000 1.027 1244 V CB -1.129 30.434 31.823 -0.433 0.000 0.646 1244 V HN 0.633 nan 8.190 nan 0.000 0.447 1245 F N 0.096 119.909 119.950 -0.228 0.000 2.154 1245 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 1245 F C 2.509 178.197 175.800 -0.188 0.000 1.087 1245 F CA 1.199 59.060 58.000 -0.230 0.000 1.274 1245 F CB -0.339 38.528 39.000 -0.221 0.000 1.009 1245 F HN 0.265 nan 8.300 nan 0.000 0.485 1246 D N -0.102 120.319 120.400 0.034 0.000 2.097 1246 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 1246 D C 2.268 178.546 176.300 -0.037 0.000 0.984 1246 D CA 0.896 54.889 54.000 -0.012 0.000 0.826 1246 D CB -0.447 40.337 40.800 -0.026 0.000 0.973 1246 D HN 0.254 nan 8.370 nan 0.000 0.460 1247 Q N 0.435 120.205 119.800 -0.050 0.000 2.135 1247 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 1247 Q C 2.605 178.580 176.000 -0.041 0.000 0.981 1247 Q CA 0.570 56.347 55.803 -0.043 0.000 0.856 1247 Q CB -0.352 28.360 28.738 -0.044 0.000 0.902 1247 Q HN 0.407 nan 8.270 nan 0.000 0.425 1248 L N -0.235 120.959 121.223 -0.048 0.000 2.072 1248 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 1248 L C 2.250 179.066 176.870 -0.090 0.000 1.079 1248 L CA 0.487 55.283 54.840 -0.073 0.000 0.752 1248 L CB -0.378 41.623 42.059 -0.097 0.000 0.906 1248 L HN 0.181 nan 8.230 nan 0.000 0.436 1249 I N 0.143 120.657 120.570 -0.094 0.000 2.142 1249 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 1249 I C 1.842 177.919 176.117 -0.067 0.000 1.078 1249 I CA 0.978 62.219 61.300 -0.098 0.000 1.343 1249 I CB -1.281 36.660 38.000 -0.099 0.000 1.046 1249 I HN 0.132 nan 8.210 nan 0.000 0.405 1250 A N -0.305 122.484 122.820 -0.051 0.000 2.260 1250 A HA 0.099 4.419 4.320 -0.000 0.000 0.278 1250 A C 1.380 178.945 177.584 -0.032 0.000 1.269 1250 A CA 0.438 52.452 52.037 -0.038 0.000 0.824 1250 A CB -0.045 18.936 19.000 -0.033 0.000 1.238 1250 A HN 0.496 nan 8.150 nan 0.000 0.507 1251 E N -1.854 118.333 120.200 -0.021 0.000 3.562 1251 E HA -0.298 4.052 4.350 -0.000 0.000 0.298 1251 E C 0.313 176.908 176.600 -0.009 0.000 0.830 1251 E CA 1.187 57.580 56.400 -0.011 0.000 1.013 1251 E CB -1.175 28.520 29.700 -0.009 0.000 1.510 1251 E HN 0.705 nan 8.360 nan 0.000 0.463 1252 Q N 1.464 121.252 119.800 -0.019 0.000 2.426 1252 Q HA -0.009 4.331 4.340 -0.000 0.000 0.253 1252 Q C -0.222 175.778 176.000 0.001 0.000 1.313 1252 Q CA 0.914 56.707 55.803 -0.017 0.000 0.902 1252 Q CB -0.278 28.442 28.738 -0.030 0.000 1.563 1252 Q HN 0.334 nan 8.270 nan 0.000 0.517 1253 T N 1.258 115.821 114.554 0.016 0.000 2.460 1253 T HA -0.214 4.136 4.350 -0.000 0.000 0.318 1253 T C 1.261 175.973 174.700 0.021 0.000 1.178 1253 T CA 0.361 62.477 62.100 0.027 0.000 3.928 1253 T CB -1.171 67.727 68.868 0.049 0.000 0.558 1253 T HN 0.992 nan 8.240 nan 0.000 0.199 1254 G N 1.865 110.673 108.800 0.013 0.000 2.494 1254 G HA2 -0.420 3.539 3.960 -0.000 0.000 0.252 1254 G HA3 -0.420 3.539 3.960 -0.000 0.000 0.252 1254 G C 0.118 175.021 174.900 0.005 0.000 1.025 1254 G CA 0.827 45.932 45.100 0.009 0.000 0.638 1254 G HN 1.185 nan 8.290 nan 0.000 0.544 1255 E N 1.186 121.391 120.200 0.008 0.000 2.459 1255 E HA 0.320 4.670 4.350 -0.000 0.000 0.264 1255 E C 0.771 177.368 176.600 -0.005 0.000 1.055 1255 E CA 0.455 56.857 56.400 0.004 0.000 0.957 1255 E CB 0.212 29.917 29.700 0.008 0.000 0.952 1255 E HN 0.440 nan 8.360 nan 0.000 0.448 1256 K N 3.799 124.194 120.400 -0.008 0.000 3.141 1256 K HA 0.142 4.462 4.320 -0.000 0.000 0.248 1256 K C -0.919 175.669 176.600 -0.019 0.000 1.282 1256 K CA -0.441 55.837 56.287 -0.014 0.000 1.251 1256 K CB 0.108 32.600 32.500 -0.013 0.000 1.533 1256 K HN 0.326 nan 8.250 nan 0.000 0.409 1257 K N 1.184 121.570 120.400 -0.023 0.000 5.420 1257 K HA -0.164 4.156 4.320 -0.000 0.000 0.407 1257 K C 0.447 177.030 176.600 -0.029 0.000 1.074 1257 K CA 0.276 56.544 56.287 -0.032 0.000 1.247 1257 K CB -0.928 31.550 32.500 -0.037 0.000 1.725 1257 K HN 0.418 nan 8.250 nan 0.000 0.408 1258 E N 1.148 121.332 120.200 -0.026 0.000 2.170 1258 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 1258 E C 1.308 177.888 176.600 -0.033 0.000 0.981 1258 E CA 1.427 57.816 56.400 -0.019 0.000 0.830 1258 E CB 0.476 30.174 29.700 -0.003 0.000 0.775 1258 E HN 0.333 nan 8.360 nan 0.000 0.470 1259 V N 0.471 120.352 119.914 -0.055 0.000 2.784 1259 V HA 0.258 4.378 4.120 -0.000 0.000 0.231 1259 V C 0.782 176.826 176.094 -0.083 0.000 1.128 1259 V CA 0.562 62.815 62.300 -0.080 0.000 1.178 1259 V CB -0.852 30.897 31.823 -0.123 0.000 0.943 1259 V HN 0.297 nan 8.190 nan 0.000 0.500 1260 A N 1.683 124.449 122.820 -0.090 0.000 2.091 1260 A HA -0.146 4.174 4.320 -0.000 0.000 0.270 1260 A C 0.118 177.648 177.584 -0.090 0.000 1.368 1260 A CA 1.402 53.389 52.037 -0.083 0.000 0.745 1260 A CB -1.616 17.348 19.000 -0.061 0.000 1.173 1260 A HN 1.094 nan 8.150 nan 0.000 0.322 1261 D N -0.597 119.728 120.400 -0.125 0.000 3.189 1261 D HA 0.143 4.783 4.640 -0.000 0.000 0.116 1261 D C -0.775 175.394 176.300 -0.219 0.000 0.855 1261 D CA -0.250 53.675 54.000 -0.125 0.000 1.864 1261 D CB -0.627 40.125 40.800 -0.080 0.000 1.879 1261 D HN 0.583 nan 8.370 nan 0.000 0.891 1262 L N 3.376 124.431 121.223 -0.281 0.000 2.679 1262 L HA 0.369 4.709 4.340 -0.000 0.000 0.238 1262 L C 0.818 177.554 176.870 -0.223 0.000 1.330 1262 L CA -0.528 53.950 54.840 -0.603 0.000 0.935 1262 L CB 0.653 42.073 42.059 -1.065 0.000 1.243 1262 L HN 0.474 nan 8.230 nan 0.000 0.484 1266 D N 0.657 121.134 120.400 0.128 0.000 2.479 1266 D HA 0.210 4.850 4.640 -0.000 0.000 0.218 1266 D C 0.246 176.566 176.300 0.032 0.000 1.177 1266 D CA -0.248 53.817 54.000 0.110 0.000 0.830 1266 D CB 1.602 42.491 40.800 0.149 0.000 1.014 1266 D HN 0.267 nan 8.370 nan 0.000 0.503 1267 L N 1.609 122.778 121.223 -0.089 0.000 2.385 1267 L HA 0.158 4.497 4.340 -0.000 0.000 0.281 1267 L C 0.864 177.650 176.870 -0.141 0.000 1.106 1267 L CA 0.133 54.729 54.840 -0.406 0.000 0.856 1267 L CB 0.341 42.150 42.059 -0.418 0.000 1.186 1267 L HN -0.091 nan 8.230 nan 0.000 0.453 1268 L N 5.315 126.453 121.223 -0.142 0.000 2.298 1268 L HA 0.263 4.603 4.340 -0.000 0.000 0.209 1268 L C 0.320 177.168 176.870 -0.037 0.000 1.084 1268 L CA 0.269 55.074 54.840 -0.059 0.000 0.816 1268 L CB -0.029 41.995 42.059 -0.058 0.000 0.967 1268 L HN 0.575 nan 8.230 nan 0.000 0.460 1269 L N -0.400 120.794 121.223 -0.049 0.000 2.612 1269 L HA 0.375 4.715 4.340 -0.000 0.000 0.256 1269 L C -1.876 174.984 176.870 -0.017 0.000 0.949 1269 L CA -0.757 54.062 54.840 -0.034 0.000 0.867 1269 L CB 2.097 44.140 42.059 -0.026 0.000 1.417 1269 L HN 0.183 nan 8.230 nan 0.000 0.414 1270 H N 0.480 119.488 119.070 -0.104 0.000 2.771 1270 H HA 0.904 5.460 4.556 -0.000 0.000 0.361 1270 H C -1.234 173.942 175.328 -0.254 0.000 1.108 1270 H CA 0.052 55.944 56.048 -0.260 0.000 1.201 1270 H CB 2.122 31.747 29.762 -0.229 0.000 1.681 1270 H HN 0.695 nan 8.280 nan 0.000 0.534 1271 T N -0.080 114.261 114.554 -0.355 0.000 2.792 1271 T HA 0.473 4.823 4.350 -0.000 0.000 0.303 1271 T C -0.857 173.660 174.700 -0.306 0.000 1.310 1271 T CA -1.053 60.862 62.100 -0.308 0.000 1.007 1271 T CB 1.384 70.078 68.868 -0.288 0.000 1.335 1271 T HN 0.668 nan 8.240 nan 0.000 0.504 1272 S N 0.049 115.624 115.700 -0.208 0.000 2.462 1272 S HA 0.746 5.216 4.470 -0.000 0.000 0.294 1272 S C -0.650 173.851 174.600 -0.165 0.000 1.144 1272 S CA -0.526 57.579 58.200 -0.159 0.000 1.088 1272 S CB 0.785 63.939 63.200 -0.077 0.000 1.009 1272 S HN 0.911 nan 8.310 nan 0.000 0.484 1273 V N 5.611 125.432 119.914 -0.155 0.000 3.102 1273 V HA 0.636 4.756 4.120 -0.000 0.000 0.312 1273 V C -1.164 174.916 176.094 -0.022 0.000 1.135 1273 V CA -1.003 61.217 62.300 -0.133 0.000 1.022 1273 V CB 2.184 33.858 31.823 -0.249 0.000 1.056 1273 V HN 0.912 nan 8.190 nan 0.000 0.436 1274 I N 3.054 123.644 120.570 0.032 0.000 2.336 1274 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 1274 I C -1.085 175.172 176.117 0.233 0.000 0.991 1274 I CA -0.354 61.021 61.300 0.126 0.000 1.227 1274 I CB 1.407 39.469 38.000 0.102 0.000 1.366 1274 I HN 0.685 nan 8.210 nan 0.000 0.466 1275 W N 7.981 129.330 121.300 0.083 0.000 2.507 1275 W HA 0.295 4.955 4.660 -0.000 0.000 0.334 1275 W C 0.315 176.888 176.519 0.089 0.000 1.165 1275 W CA -0.727 56.681 57.345 0.105 0.000 1.460 1275 W CB 0.260 29.785 29.460 0.109 0.000 1.404 1275 W HN 0.529 nan 8.180 nan 0.000 0.435 1276 L N 4.325 125.771 121.223 0.372 0.000 2.156 1276 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 1276 L C 1.555 178.450 176.870 0.042 0.000 1.095 1276 L CA 0.948 55.888 54.840 0.167 0.000 0.770 1276 L CB -0.334 41.822 42.059 0.162 0.000 0.914 1276 L HN 0.370 nan 8.230 nan 0.000 0.439 1277 N N -0.042 118.691 118.700 0.056 0.000 2.914 1277 N HA 0.221 4.961 4.740 -0.000 0.000 0.304 1277 N C -2.744 172.401 175.510 -0.608 0.000 1.727 1277 N CA -1.333 51.649 53.050 -0.113 0.000 0.986 1277 N CB 0.049 38.646 38.487 0.184 0.000 1.297 1277 N HN 0.093 nan 8.380 nan 0.000 0.490 1278 P HA 0.263 nan 4.420 nan 0.000 0.274 1278 P C -2.349 174.449 177.300 -0.837 0.000 1.237 1278 P CA -0.767 61.361 63.100 -1.620 0.000 0.793 1278 P CB 0.382 31.374 31.700 -1.180 0.000 0.977 1279 P HA -0.011 nan 4.420 nan 0.000 0.269 1279 P C 0.766 177.905 177.300 -0.270 0.000 1.217 1279 P CA -0.044 62.840 63.100 -0.361 0.000 0.783 1279 P CB 0.359 31.909 31.700 -0.250 0.000 0.898 1280 A N 2.199 124.919 122.820 -0.166 0.000 1.948 1280 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 1280 A C 2.361 179.902 177.584 -0.072 0.000 1.177 1280 A CA 2.201 54.167 52.037 -0.119 0.000 0.636 1280 A CB -1.558 17.392 19.000 -0.082 0.000 0.815 1280 A HN 0.607 nan 8.150 nan 0.000 0.449 1281 S N -0.552 115.123 115.700 -0.043 0.000 2.351 1281 S HA -0.176 4.294 4.470 -0.000 0.000 0.220 1281 S C 1.896 176.556 174.600 0.100 0.000 1.035 1281 S CA 1.628 59.854 58.200 0.044 0.000 1.031 1281 S CB -0.525 62.683 63.200 0.014 0.000 0.928 1281 S HN 0.551 nan 8.310 nan 0.000 0.433 1282 L N 2.053 123.249 121.223 -0.044 0.000 2.007 1282 L HA 0.155 4.495 4.340 -0.000 0.000 0.205 1282 L C 2.402 179.253 176.870 -0.033 0.000 1.073 1282 L CA 2.230 57.032 54.840 -0.064 0.000 0.744 1282 L CB -1.555 40.345 42.059 -0.265 0.000 0.898 1282 L HN 0.310 nan 8.230 nan 0.000 0.435 1283 G N -0.633 108.071 108.800 -0.161 0.000 2.503 1283 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.221 1283 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.221 1283 G C 1.485 176.321 174.900 -0.106 0.000 1.131 1283 G CA 1.089 46.098 45.100 -0.151 0.000 0.756 1283 G HN 0.352 nan 8.290 nan 0.000 0.572 1284 K N -0.889 119.438 120.400 -0.120 0.000 2.555 1284 K HA 0.089 4.409 4.320 -0.000 0.000 0.193 1284 K C 1.271 177.602 176.600 -0.448 0.000 1.032 1284 K CA 0.378 56.507 56.287 -0.263 0.000 1.004 1284 K CB -0.137 32.185 32.500 -0.296 0.000 0.804 1284 K HN 0.685 nan 8.250 nan 0.000 0.496 1285 W N -0.525 120.742 121.300 -0.055 0.000 2.942 1285 W HA 0.273 4.933 4.660 -0.000 0.000 0.260 1285 W C 0.140 176.651 176.519 -0.014 0.000 1.101 1285 W CA -0.496 56.831 57.345 -0.030 0.000 1.436 1285 W CB 0.857 30.302 29.460 -0.024 0.000 0.883 1285 W HN -0.311 nan 8.180 nan 0.000 0.646 1286 K N 2.478 122.987 120.400 0.181 0.000 2.535 1286 K HA 0.089 4.409 4.320 -0.000 0.000 0.253 1286 K C 1.300 177.937 176.600 0.062 0.000 0.953 1286 K CA -0.320 56.048 56.287 0.134 0.000 0.863 1286 K CB 0.957 33.559 32.500 0.171 0.000 1.111 1286 K HN -0.294 nan 8.250 nan 0.000 0.431 1287 K N 3.493 123.918 120.400 0.042 0.000 2.049 1287 K HA -0.253 4.067 4.320 -0.000 0.000 0.219 1287 K C -0.276 176.338 176.600 0.023 0.000 1.056 1287 K CA 1.806 58.101 56.287 0.014 0.000 0.946 1287 K CB -0.422 32.089 32.500 0.018 0.000 0.723 1287 K HN 0.752 nan 8.250 nan 0.000 0.453 1288 E N 1.170 121.406 120.200 0.059 0.000 2.580 1288 E HA 0.436 4.786 4.350 -0.000 0.000 0.248 1288 E C -2.824 173.863 176.600 0.146 0.000 1.018 1288 E CA -2.418 54.033 56.400 0.085 0.000 0.775 1288 E CB 1.623 31.367 29.700 0.073 0.000 1.378 1288 E HN 0.014 nan 8.360 nan 0.000 0.401 1289 P HA -0.047 nan 4.420 nan 0.000 0.268 1289 P C -0.652 176.862 177.300 0.358 0.000 1.208 1289 P CA 0.067 63.382 63.100 0.358 0.000 0.777 1289 P CB 0.625 32.570 31.700 0.408 0.000 0.875 1290 E N 2.262 122.648 120.200 0.309 0.000 2.199 1290 E HA 0.467 4.817 4.350 -0.000 0.000 0.269 1290 E C -1.337 175.355 176.600 0.154 0.000 0.899 1290 E CA -0.590 55.912 56.400 0.169 0.000 0.772 1290 E CB 0.639 30.372 29.700 0.055 0.000 1.155 1290 E HN 0.303 nan 8.360 nan 0.000 0.408 1291 L N 2.287 123.575 121.223 0.108 0.000 2.319 1291 L HA 0.730 5.070 4.340 -0.000 0.000 0.267 1291 L C -0.410 176.444 176.870 -0.026 0.000 1.011 1291 L CA -1.232 53.654 54.840 0.078 0.000 0.818 1291 L CB 1.980 44.029 42.059 -0.018 0.000 1.316 1291 L HN 0.648 nan 8.230 nan 0.000 0.432 1292 A N 1.416 124.240 122.820 0.006 0.000 2.276 1292 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 1292 A C -0.346 177.016 177.584 -0.369 0.000 1.229 1292 A CA -0.370 51.543 52.037 -0.206 0.000 0.851 1292 A CB 1.014 19.966 19.000 -0.079 0.000 1.165 1292 A HN 0.723 nan 8.150 nan 0.000 0.513 1293 A N 2.079 124.539 122.820 -0.600 0.000 2.330 1293 A HA 0.837 5.157 4.320 -0.000 0.000 0.327 1293 A C -1.074 176.102 177.584 -0.680 0.000 1.155 1293 A CA -0.362 51.402 52.037 -0.456 0.000 0.803 1293 A CB 0.358 19.109 19.000 -0.415 0.000 1.208 1293 A HN 0.716 nan 8.150 nan 0.000 0.477 1294 F N 1.407 121.379 119.950 0.035 0.000 2.539 1294 F HA 0.470 4.997 4.527 -0.000 0.000 0.318 1294 F C -0.182 175.640 175.800 0.036 0.000 1.135 1294 F CA -0.786 57.214 58.000 0.001 0.000 0.915 1294 F CB 2.407 41.442 39.000 0.058 0.000 1.176 1294 F HN 0.223 nan 8.300 nan 0.000 0.440 1295 V N 4.724 124.679 119.914 0.070 0.000 2.294 1295 V HA 0.337 4.457 4.120 -0.000 0.000 0.272 1295 V C -0.465 175.586 176.094 -0.072 0.000 1.027 1295 V CA -0.601 61.727 62.300 0.047 0.000 0.823 1295 V CB -0.077 31.744 31.823 -0.004 0.000 1.030 1295 V HN 0.477 nan 8.190 nan 0.000 0.457 1296 F N 2.501 122.430 119.950 -0.035 0.000 2.403 1296 F HA 0.463 4.990 4.527 -0.000 0.000 0.326 1296 F C 1.535 177.297 175.800 -0.064 0.000 1.081 1296 F CA -0.880 57.083 58.000 -0.063 0.000 1.041 1296 F CB 1.270 40.191 39.000 -0.132 0.000 1.234 1296 F HN 0.275 nan 8.300 nan 0.000 0.503 1297 K N -0.340 120.145 120.400 0.142 0.000 2.211 1297 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 1297 K C 1.445 178.070 176.600 0.041 0.000 1.047 1297 K CA 1.882 58.203 56.287 0.057 0.000 0.935 1297 K CB -0.266 32.259 32.500 0.042 0.000 0.728 1297 K HN 0.795 nan 8.250 nan 0.000 0.452 1298 T N -3.084 111.504 114.554 0.056 0.000 3.054 1298 T HA 0.508 4.858 4.350 -0.000 0.000 0.255 1298 T C 0.181 174.856 174.700 -0.041 0.000 1.035 1298 T CA -0.005 62.090 62.100 -0.009 0.000 0.941 1298 T CB 0.660 69.500 68.868 -0.047 0.000 1.026 1298 T HN 0.144 nan 8.240 nan 0.000 0.533 1299 A N -0.081 122.736 122.820 -0.005 0.000 2.489 1299 A HA 0.595 4.915 4.320 -0.000 0.000 0.293 1299 A C -1.844 175.762 177.584 0.037 0.000 1.004 1299 A CA -0.775 51.233 52.037 -0.049 0.000 0.626 1299 A CB 0.660 19.562 19.000 -0.163 0.000 1.345 1299 A HN 0.275 nan 8.150 nan 0.000 0.447 1300 V N 0.646 120.553 119.914 -0.012 0.000 2.417 1300 V HA 0.622 4.742 4.120 -0.000 0.000 0.291 1300 V C -0.470 175.632 176.094 0.013 0.000 1.024 1300 V CA -0.483 61.852 62.300 0.058 0.000 0.861 1300 V CB 1.480 33.319 31.823 0.027 0.000 0.985 1300 V HN 0.825 nan 8.190 nan 0.000 0.436 1301 V N 6.450 126.450 119.914 0.144 0.000 2.555 1301 V HA 0.573 4.693 4.120 -0.000 0.000 0.302 1301 V C -0.460 175.762 176.094 0.213 0.000 1.038 1301 V CA -0.583 61.788 62.300 0.119 0.000 0.887 1301 V CB 1.966 33.848 31.823 0.099 0.000 0.991 1301 V HN 0.643 nan 8.190 nan 0.000 0.434 1302 L N 4.882 126.157 121.223 0.087 0.000 2.362 1302 L HA 0.789 5.129 4.340 -0.000 0.000 0.275 1302 L C -1.005 175.982 176.870 0.195 0.000 0.998 1302 L CA -0.727 54.153 54.840 0.068 0.000 0.820 1302 L CB 2.083 44.030 42.059 -0.186 0.000 1.270 1302 L HN 0.345 nan 8.230 nan 0.000 0.415 1303 V N 2.171 122.290 119.914 0.341 0.000 2.709 1303 V HA 0.351 4.471 4.120 -0.000 0.000 0.308 1303 V C -1.317 175.087 176.094 0.517 0.000 1.062 1303 V CA -0.768 61.812 62.300 0.467 0.000 0.901 1303 V CB 2.193 34.433 31.823 0.694 0.000 1.003 1303 V HN 0.531 nan 8.190 nan 0.000 0.425 1304 Y N 4.331 124.920 120.300 0.481 0.000 2.331 1304 Y HA 0.649 5.198 4.550 -0.000 0.000 0.338 1304 Y C -0.080 175.963 175.900 0.237 0.000 0.992 1304 Y CA -0.246 58.090 58.100 0.393 0.000 1.121 1304 Y CB 1.143 39.906 38.460 0.506 0.000 1.184 1304 Y HN 0.644 nan 8.280 nan 0.000 0.469 1305 K N 4.642 124.832 120.400 -0.350 0.000 2.375 1305 K HA 0.391 4.711 4.320 -0.000 0.000 0.249 1305 K C -2.041 174.270 176.600 -0.482 0.000 0.942 1305 K CA -0.695 55.333 56.287 -0.431 0.000 0.806 1305 K CB 1.794 33.975 32.500 -0.530 0.000 1.227 1305 K HN 0.830 nan 8.250 nan 0.000 0.430 1306 D N 0.926 121.159 120.400 -0.278 0.000 2.601 1306 D HA 0.688 5.328 4.640 -0.000 0.000 0.230 1306 D C -1.281 174.928 176.300 -0.151 0.000 1.106 1306 D CA -0.372 53.539 54.000 -0.149 0.000 0.873 1306 D CB 2.115 42.954 40.800 0.066 0.000 1.515 1306 D HN 0.666 nan 8.370 nan 0.000 0.468 1307 G N 0.117 108.850 108.800 -0.113 0.000 2.673 1307 G HA2 0.531 4.491 3.960 -0.000 0.000 0.292 1307 G HA3 0.531 4.491 3.960 -0.000 0.000 0.292 1307 G C -0.924 173.928 174.900 -0.081 0.000 1.450 1307 G CA -0.291 44.743 45.100 -0.110 0.000 0.837 1307 G HN 0.669 nan 8.290 nan 0.000 0.505 1308 S N -0.355 115.296 115.700 -0.083 0.000 2.753 1308 S HA 0.677 5.147 4.470 -0.000 0.000 0.302 1308 S C 0.837 175.400 174.600 -0.061 0.000 1.104 1308 S CA -0.228 57.930 58.200 -0.070 0.000 0.968 1308 S CB 2.283 65.434 63.200 -0.081 0.000 1.278 1308 S HN 0.787 nan 8.310 nan 0.000 0.549 1309 K N -1.045 119.323 120.400 -0.053 0.000 2.758 1309 K HA 0.379 4.699 4.320 -0.000 0.000 0.247 1309 K C -0.061 176.513 176.600 -0.043 0.000 1.155 1309 K CA -0.061 56.200 56.287 -0.043 0.000 1.011 1309 K CB 0.061 32.541 32.500 -0.034 0.000 1.633 1309 K HN 0.658 nan 8.250 nan 0.000 0.438 1310 Q N -0.023 119.753 119.800 -0.040 0.000 2.885 1310 Q HA 0.263 4.602 4.340 -0.000 0.000 0.353 1310 Q C -1.370 174.608 176.000 -0.037 0.000 0.784 1310 Q CA -0.643 55.138 55.803 -0.037 0.000 0.840 1310 Q CB 1.374 30.095 28.738 -0.028 0.000 1.306 1310 Q HN 0.359 nan 8.270 nan 0.000 0.510 1311 K N 0.750 121.131 120.400 -0.032 0.000 5.829 1311 K HA -0.204 4.116 4.320 -0.000 0.000 0.459 1311 K C -0.711 175.867 176.600 -0.038 0.000 1.139 1311 K CA 0.442 56.711 56.287 -0.030 0.000 1.349 1311 K CB -0.697 31.788 32.500 -0.025 0.000 1.801 1311 K HN 0.278 nan 8.250 nan 0.000 0.385 1312 K N 2.965 123.342 120.400 -0.039 0.000 2.579 1312 K HA 0.254 4.574 4.320 -0.000 0.000 0.225 1312 K C -1.239 175.339 176.600 -0.036 0.000 0.992 1312 K CA -0.825 55.432 56.287 -0.050 0.000 1.018 1312 K CB 0.979 33.438 32.500 -0.068 0.000 1.249 1312 K HN 0.225 nan 8.250 nan 0.000 0.489 1313 K N 3.769 124.150 120.400 -0.031 0.000 2.234 1313 K HA 0.447 4.766 4.320 -0.000 0.000 0.277 1313 K C -1.447 175.143 176.600 -0.017 0.000 1.038 1313 K CA -0.723 55.553 56.287 -0.019 0.000 0.888 1313 K CB 0.678 33.170 32.500 -0.013 0.000 1.091 1313 K HN 0.476 nan 8.250 nan 0.000 0.467 1314 L N 6.573 127.791 121.223 -0.008 0.000 2.349 1314 L HA 0.302 4.642 4.340 -0.000 0.000 0.278 1314 L C 0.629 177.505 176.870 0.010 0.000 0.996 1314 L CA -0.361 54.480 54.840 0.001 0.000 0.825 1314 L CB 1.613 43.675 42.059 0.005 0.000 1.243 1314 L HN 0.618 nan 8.230 nan 0.000 0.412 1315 V N 2.423 122.347 119.914 0.017 0.000 2.568 1315 V HA 0.106 4.226 4.120 -0.000 0.000 0.253 1315 V C 1.500 177.596 176.094 0.004 0.000 1.072 1315 V CA 1.267 63.575 62.300 0.013 0.000 1.084 1315 V CB -1.534 30.305 31.823 0.027 0.000 0.676 1315 V HN 1.414 nan 8.190 nan 0.000 0.469 1316 G N 0.738 109.548 108.800 0.017 0.000 2.153 1316 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 1316 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 1316 G C 0.231 175.127 174.900 -0.006 0.000 0.994 1316 G CA 0.986 46.095 45.100 0.016 0.000 0.698 1316 G HN 1.471 nan 8.290 nan 0.000 0.521 1317 S N -1.178 114.505 115.700 -0.027 0.000 2.798 1317 S HA 0.843 5.313 4.470 -0.000 0.000 0.312 1317 S C 0.493 175.066 174.600 -0.045 0.000 1.122 1317 S CA 0.189 58.314 58.200 -0.124 0.000 0.949 1317 S CB 2.068 65.086 63.200 -0.304 0.000 1.235 1317 S HN 1.124 nan 8.310 nan 0.000 0.552 1318 H N 0.198 119.278 119.070 0.017 0.000 1.452 1318 H HA -0.143 4.413 4.556 -0.000 0.000 0.090 1318 H C 0.666 176.008 175.328 0.025 0.000 2.539 1318 H CA 1.049 57.108 56.048 0.018 0.000 1.901 1318 H CB -0.707 29.065 29.762 0.016 0.000 2.257 1318 H HN 0.791 nan 8.280 nan 0.000 0.961 1319 R N 1.297 121.912 120.500 0.191 0.000 2.319 1319 R HA 0.237 4.577 4.340 -0.000 0.000 0.204 1319 R C 0.837 177.203 176.300 0.109 0.000 0.954 1319 R CA 0.518 56.686 56.100 0.113 0.000 1.066 1319 R CB -0.162 30.188 30.300 0.084 0.000 0.991 1319 R HN 0.319 nan 8.270 nan 0.000 0.486 1320 L N -1.084 120.215 121.223 0.126 0.000 7.603 1320 L HA -0.329 4.011 4.340 -0.000 0.000 0.092 1320 L C 0.020 176.944 176.870 0.090 0.000 1.252 1320 L CA 0.693 55.598 54.840 0.108 0.000 1.482 1320 L CB -1.075 41.053 42.059 0.116 0.000 2.830 1320 L HN 0.145 nan 8.230 nan 0.000 1.159 1321 S N -0.270 115.482 115.700 0.087 0.000 2.592 1321 S HA 0.241 4.711 4.470 -0.000 0.000 0.271 1321 S C 0.774 175.446 174.600 0.120 0.000 1.326 1321 S CA -0.017 58.220 58.200 0.062 0.000 1.024 1321 S CB 1.381 64.571 63.200 -0.016 0.000 0.921 1321 S HN 0.457 nan 8.310 nan 0.000 0.527 1322 I N 1.080 121.716 120.570 0.110 0.000 2.500 1322 I HA 0.007 4.176 4.170 -0.000 0.000 0.252 1322 I C 0.959 177.246 176.117 0.283 0.000 1.142 1322 I CA 1.703 63.094 61.300 0.152 0.000 1.451 1322 I CB -0.063 38.000 38.000 0.104 0.000 1.093 1322 I HN 0.794 nan 8.210 nan 0.000 0.430 1323 Y N -0.742 119.624 120.300 0.109 0.000 2.633 1323 Y HA 0.142 4.692 4.550 -0.000 0.000 0.298 1323 Y C 1.268 177.229 175.900 0.100 0.000 0.951 1323 Y CA 0.444 58.661 58.100 0.194 0.000 1.079 1323 Y CB -0.209 38.324 38.460 0.122 0.000 1.430 1323 Y HN 0.293 nan 8.280 nan 0.000 0.590 1324 E N 1.008 121.101 120.200 -0.180 0.000 3.466 1324 E HA -0.469 3.881 4.350 -0.000 0.000 0.425 1324 E C 0.725 176.982 176.600 -0.572 0.000 1.529 1324 E CA 3.402 59.483 56.400 -0.532 0.000 1.326 1324 E CB -1.301 27.700 29.700 -1.164 0.000 1.408 1324 E HN 0.691 nan 8.360 nan 0.000 0.411 1325 E N -3.662 116.002 120.200 -0.895 0.000 3.109 1325 E HA 0.011 4.361 4.350 -0.000 0.000 0.280 1325 E C 0.382 176.780 176.600 -0.337 0.000 1.141 1325 E CA 0.095 56.164 56.400 -0.552 0.000 1.937 1325 E CB -0.296 29.174 29.700 -0.384 0.000 2.201 1325 E HN 0.488 nan 8.360 nan 0.000 1.007 1326 W N 1.891 123.072 121.300 -0.198 0.000 1.640 1326 W HA -0.176 4.484 4.660 -0.000 0.000 0.237 1326 W C -0.065 176.415 176.519 -0.066 0.000 0.966 1326 W CA 1.777 59.042 57.345 -0.133 0.000 0.418 1326 W CB -1.275 28.089 29.460 -0.160 0.000 1.968 1326 W HN 0.542 nan 8.180 nan 0.000 1.384 1327 D N -0.676 119.797 120.400 0.121 0.000 2.470 1327 D HA 0.264 4.904 4.640 -0.000 0.000 0.233 1327 D C -0.793 175.583 176.300 0.127 0.000 1.372 1327 D CA -1.126 52.972 54.000 0.165 0.000 0.994 1327 D CB 1.230 42.168 40.800 0.231 0.000 1.377 1327 D HN -0.217 nan 8.370 nan 0.000 0.586 1328 P HA -0.045 nan 4.420 nan 0.000 0.220 1328 P C 0.546 177.719 177.300 -0.213 0.000 1.148 1328 P CA 0.294 63.298 63.100 -0.159 0.000 0.803 1328 P CB -0.003 31.479 31.700 -0.364 0.000 0.782 1329 F N 1.260 121.267 119.950 0.094 0.000 2.662 1329 F HA 0.185 4.712 4.527 -0.000 0.000 0.365 1329 F C 1.705 177.646 175.800 0.236 0.000 1.222 1329 F CA -0.280 57.810 58.000 0.151 0.000 1.315 1329 F CB -0.297 38.747 39.000 0.074 0.000 1.711 1329 F HN -0.285 nan 8.300 nan 0.000 0.651 1330 R N 0.913 121.643 120.500 0.383 0.000 2.377 1330 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 1330 R C -0.371 176.205 176.300 0.460 0.000 1.075 1330 R CA 0.376 56.715 56.100 0.399 0.000 1.035 1330 R CB -0.605 29.919 30.300 0.372 0.000 0.857 1330 R HN 0.429 nan 8.270 nan 0.000 0.475 1331 F N 0.448 120.620 119.950 0.369 0.000 2.639 1331 F HA 0.324 4.851 4.527 -0.000 0.000 0.320 1331 F C -1.270 174.734 175.800 0.340 0.000 1.128 1331 F CA -1.302 56.897 58.000 0.331 0.000 1.037 1331 F CB 1.101 40.315 39.000 0.356 0.000 1.288 1331 F HN -0.090 nan 8.300 nan 0.000 0.463 1332 R N 4.191 124.193 120.500 -0.830 0.000 2.740 1332 R HA 0.809 5.149 4.340 -0.000 0.000 0.273 1332 R C -2.108 173.785 176.300 -0.678 0.000 0.998 1332 R CA -0.769 54.989 56.100 -0.570 0.000 0.900 1332 R CB 2.383 32.607 30.300 -0.126 0.000 1.223 1332 R HN 0.901 nan 8.270 nan 0.000 0.466 1336 P HA 0.141 nan 4.420 nan 0.000 0.269 1336 P C 0.809 178.086 177.300 -0.037 0.000 1.215 1336 P CA 0.039 63.080 63.100 -0.098 0.000 0.780 1336 P CB 0.701 32.376 31.700 -0.042 0.000 0.898 1337 T N 0.233 114.774 114.554 -0.021 0.000 2.803 1337 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 1337 T C 1.343 176.077 174.700 0.057 0.000 1.052 1337 T CA 1.202 63.304 62.100 0.002 0.000 1.136 1337 T CB -0.440 68.423 68.868 -0.008 0.000 0.864 1337 T HN 0.488 nan 8.240 nan 0.000 0.467 1338 E N 1.317 121.556 120.200 0.066 0.000 2.204 1338 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 1338 E C 1.725 178.396 176.600 0.119 0.000 0.990 1338 E CA 0.904 57.363 56.400 0.097 0.000 0.821 1338 E CB -0.155 29.585 29.700 0.068 0.000 0.750 1338 E HN 0.561 nan 8.360 nan 0.000 0.477 1339 A N 0.574 123.473 122.820 0.132 0.000 2.589 1339 A HA 0.187 4.507 4.320 -0.000 0.000 0.283 1339 A C 0.350 178.061 177.584 0.211 0.000 1.187 1339 A CA -0.395 51.759 52.037 0.194 0.000 0.957 1339 A CB 0.422 19.603 19.000 0.302 0.000 1.175 1339 A HN 0.096 nan 8.150 nan 0.000 0.532 1340 L N 0.913 122.215 121.223 0.131 0.000 2.257 1340 L HA 0.474 4.814 4.340 -0.000 0.000 0.290 1340 L C -0.731 176.196 176.870 0.094 0.000 1.044 1340 L CA 0.239 55.138 54.840 0.098 0.000 0.810 1340 L CB 0.965 43.039 42.059 0.024 0.000 1.193 1340 L HN 0.471 nan 8.230 nan 0.000 0.425 1341 Q N 3.605 123.472 119.800 0.113 0.000 2.337 1341 Q HA 0.558 4.898 4.340 -0.000 0.000 0.266 1341 Q C -1.735 174.311 176.000 0.076 0.000 1.023 1341 Q CA -0.462 55.401 55.803 0.099 0.000 0.829 1341 Q CB 2.948 31.755 28.738 0.114 0.000 1.306 1341 Q HN 0.587 nan 8.270 nan 0.000 0.449 1342 V N 5.481 125.422 119.914 0.044 0.000 2.569 1342 V HA 0.671 4.791 4.120 -0.000 0.000 0.301 1342 V C -1.702 174.421 176.094 0.049 0.000 1.044 1342 V CA -0.567 61.737 62.300 0.007 0.000 0.874 1342 V CB 1.678 33.405 31.823 -0.160 0.000 1.002 1342 V HN 0.818 nan 8.190 nan 0.000 0.424 1343 R N 6.032 126.581 120.500 0.082 0.000 2.513 1343 R HA 0.769 5.109 4.340 -0.000 0.000 0.301 1343 R C -0.597 175.772 176.300 0.114 0.000 0.968 1343 R CA -0.369 55.795 56.100 0.107 0.000 0.872 1343 R CB 1.445 31.809 30.300 0.106 0.000 1.177 1343 R HN 0.883 nan 8.270 nan 0.000 0.444 1344 A N 5.783 128.673 122.820 0.116 0.000 2.395 1344 A HA 0.332 4.652 4.320 -0.000 0.000 0.286 1344 A C 0.512 178.159 177.584 0.106 0.000 1.193 1344 A CA -0.651 51.456 52.037 0.117 0.000 0.852 1344 A CB 0.110 19.178 19.000 0.114 0.000 1.118 1344 A HN 0.750 nan 8.150 nan 0.000 0.524 1345 L N 5.067 126.358 121.223 0.113 0.000 2.540 1345 L HA 0.145 4.485 4.340 -0.000 0.000 0.276 1345 L C -1.460 175.451 176.870 0.069 0.000 1.212 1345 L CA -1.028 53.869 54.840 0.095 0.000 0.893 1345 L CB 0.192 42.310 42.059 0.099 0.000 1.138 1345 L HN 0.571 nan 8.230 nan 0.000 0.491 1346 P HA 0.079 nan 4.420 nan 0.000 0.275 1346 P C -0.750 176.570 177.300 0.033 0.000 1.227 1346 P CA -0.239 62.887 63.100 0.043 0.000 0.781 1346 P CB 1.727 33.450 31.700 0.038 0.000 0.906 1347 S N 1.057 116.774 115.700 0.029 0.000 2.568 1347 S HA 0.558 5.028 4.470 -0.000 0.000 0.293 1347 S C 1.190 175.800 174.600 0.017 0.000 1.089 1347 S CA -0.134 58.079 58.200 0.022 0.000 0.945 1347 S CB 1.384 64.598 63.200 0.023 0.000 1.077 1347 S HN 0.446 nan 8.310 nan 0.000 0.485 1348 A N 2.587 125.414 122.820 0.012 0.000 1.865 1348 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 1348 A C 0.663 178.254 177.584 0.011 0.000 1.191 1348 A CA 1.919 53.962 52.037 0.010 0.000 0.623 1348 A CB -0.854 18.150 19.000 0.007 0.000 0.826 1348 A HN 0.836 nan 8.150 nan 0.000 0.444 1349 D N 0.106 120.513 120.400 0.011 0.000 3.110 1349 D HA 0.540 5.180 4.640 -0.000 0.000 0.254 1349 D C 0.356 176.666 176.300 0.015 0.000 1.283 1349 D CA 0.488 54.495 54.000 0.012 0.000 0.944 1349 D CB 0.254 41.060 40.800 0.010 0.000 1.066 1349 D HN 0.563 nan 8.370 nan 0.000 0.496 1350 A N 0.840 123.670 122.820 0.018 0.000 2.482 1350 A HA 0.163 4.483 4.320 -0.000 0.000 0.249 1350 A C 1.350 178.947 177.584 0.021 0.000 1.114 1350 A CA 0.276 52.327 52.037 0.022 0.000 0.797 1350 A CB 0.092 19.107 19.000 0.024 0.000 1.067 1350 A HN 0.589 nan 8.150 nan 0.000 0.514 1351 E N -2.809 117.406 120.200 0.025 0.000 3.916 1351 E HA -0.284 4.066 4.350 -0.000 0.000 0.331 1351 E C 0.673 177.286 176.600 0.022 0.000 0.729 1351 E CA 1.387 57.801 56.400 0.023 0.000 1.222 1351 E CB -1.564 28.147 29.700 0.019 0.000 1.633 1351 E HN 1.328 nan 8.360 nan 0.000 0.437 1352 A N -0.070 122.763 122.820 0.022 0.000 2.340 1352 A HA 0.229 4.549 4.320 -0.000 0.000 0.213 1352 A C 0.470 178.068 177.584 0.023 0.000 1.299 1352 A CA 0.434 52.483 52.037 0.019 0.000 0.994 1352 A CB 0.256 19.265 19.000 0.015 0.000 1.132 1352 A HN 0.234 nan 8.150 nan 0.000 0.519 1353 N N 0.759 119.475 118.700 0.027 0.000 2.492 1353 N HA 0.386 5.126 4.740 -0.000 0.000 0.262 1353 N C 0.281 175.815 175.510 0.039 0.000 1.202 1353 N CA 0.817 53.886 53.050 0.032 0.000 0.926 1353 N CB 0.971 39.480 38.487 0.036 0.000 1.078 1353 N HN 0.205 nan 8.380 nan 0.000 0.454 1354 A N 2.895 125.739 122.820 0.038 0.000 2.594 1354 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 1354 A C -0.467 177.149 177.584 0.055 0.000 1.227 1354 A CA -0.417 51.645 52.037 0.042 0.000 0.952 1354 A CB -0.024 18.991 19.000 0.025 0.000 1.161 1354 A HN 0.405 nan 8.150 nan 0.000 0.524 1355 V N 0.251 120.206 119.914 0.067 0.000 2.732 1355 V HA 0.625 4.745 4.120 -0.000 0.000 0.310 1355 V C 0.270 176.437 176.094 0.121 0.000 1.053 1355 V CA -0.279 62.075 62.300 0.090 0.000 0.957 1355 V CB 1.031 32.900 31.823 0.076 0.000 1.018 1355 V HN 0.860 nan 8.190 nan 0.000 0.452 1356 C N 1.987 121.385 119.300 0.164 0.000 3.259 1356 C HA 0.851 5.311 4.460 -0.000 0.000 0.344 1356 C C -1.222 173.911 174.990 0.238 0.000 1.401 1356 C CA -0.929 58.202 59.018 0.190 0.000 1.219 1356 C CB 1.469 29.328 27.740 0.199 0.000 1.521 1356 C HN 1.021 nan 8.230 nan 0.000 0.455 1357 E N 1.118 121.450 120.200 0.220 0.000 2.275 1357 E HA 0.720 5.070 4.350 -0.000 0.000 0.270 1357 E C -1.462 175.251 176.600 0.189 0.000 0.882 1357 E CA -0.697 55.830 56.400 0.212 0.000 0.758 1357 E CB 1.687 31.492 29.700 0.175 0.000 1.195 1357 E HN 0.566 nan 8.360 nan 0.000 0.419 1358 I N 2.764 123.480 120.570 0.244 0.000 2.353 1358 I HA 0.319 4.489 4.170 -0.000 0.000 0.293 1358 I C -0.298 176.010 176.117 0.318 0.000 0.992 1358 I CA -1.063 60.390 61.300 0.255 0.000 1.268 1358 I CB 1.415 39.577 38.000 0.270 0.000 1.387 1358 I HN 0.487 nan 8.210 nan 0.000 0.478 1359 V N 6.008 126.070 119.914 0.248 0.000 2.487 1359 V HA 0.284 4.404 4.120 -0.000 0.000 0.298 1359 V C -0.046 176.242 176.094 0.325 0.000 1.028 1359 V CA -0.724 61.724 62.300 0.246 0.000 0.860 1359 V CB 1.765 33.676 31.823 0.146 0.000 0.991 1359 V HN 0.672 nan 8.190 nan 0.000 0.427 1360 H N 4.489 123.713 119.070 0.256 0.000 2.746 1360 H HA 0.470 5.026 4.556 -0.000 0.000 0.269 1360 H C 0.160 175.582 175.328 0.158 0.000 1.248 1360 H CA -0.869 55.334 56.048 0.258 0.000 1.258 1360 H CB 1.192 31.217 29.762 0.439 0.000 1.441 1360 H HN 0.722 nan 8.280 nan 0.000 0.508 1361 V N 2.821 122.865 119.914 0.217 0.000 3.098 1361 V HA -0.093 4.027 4.120 -0.000 0.000 0.298 1361 V C 0.548 176.628 176.094 -0.024 0.000 1.200 1361 V CA -0.237 62.114 62.300 0.085 0.000 1.321 1361 V CB 0.127 32.006 31.823 0.094 0.000 0.947 1361 V HN 0.770 nan 8.190 nan 0.000 0.513 1362 K N 2.633 123.020 120.400 -0.021 0.000 2.156 1362 K HA 0.494 4.814 4.320 -0.000 0.000 0.242 1362 K C 0.009 176.587 176.600 -0.037 0.000 1.033 1362 K CA -0.006 56.253 56.287 -0.046 0.000 0.878 1362 K CB 0.679 33.167 32.500 -0.021 0.000 1.057 1362 K HN 0.793 nan 8.250 nan 0.000 0.505 1363 S N -0.061 115.618 115.700 -0.035 0.000 2.737 1363 S HA 0.117 4.587 4.470 -0.000 0.000 0.269 1363 S C 0.080 174.673 174.600 -0.011 0.000 1.150 1363 S CA -0.745 57.444 58.200 -0.019 0.000 1.077 1363 S CB 0.993 64.180 63.200 -0.023 0.000 1.075 1363 S HN 0.759 nan 8.310 nan 0.000 0.476 1364 E N 1.920 122.118 120.200 -0.004 0.000 2.021 1364 E HA -0.114 4.236 4.350 -0.000 0.000 0.200 1364 E C 1.035 177.634 176.600 -0.001 0.000 1.015 1364 E CA 1.524 57.923 56.400 -0.002 0.000 0.824 1364 E CB -0.154 29.546 29.700 0.000 0.000 0.762 1364 E HN 0.786 nan 8.360 nan 0.000 0.454 1365 S N 0.200 115.900 115.700 0.000 0.000 2.608 1365 S HA 0.089 4.559 4.470 -0.000 0.000 0.261 1365 S C 0.771 175.372 174.600 0.002 0.000 1.314 1365 S CA 0.092 58.293 58.200 0.002 0.000 0.992 1365 S CB 1.704 64.905 63.200 0.003 0.000 0.935 1365 S HN 0.416 nan 8.310 nan 0.000 0.564 1366 E N 0.466 120.668 120.200 0.004 0.000 4.584 1366 E HA -0.204 4.146 4.350 -0.000 0.000 0.282 1366 E C 0.786 177.389 176.600 0.005 0.000 0.747 1366 E CA 2.605 59.009 56.400 0.006 0.000 1.563 1366 E CB -1.855 27.849 29.700 0.007 0.000 1.779 1366 E HN 2.344 nan 8.360 nan 0.000 0.408 1367 G N 0.783 109.583 108.800 0.001 0.000 2.370 1367 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.295 1367 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.295 1367 G C -0.318 174.581 174.900 -0.002 0.000 1.045 1367 G CA 0.560 45.660 45.100 0.000 0.000 1.199 1367 G HN 0.345 nan 8.290 nan 0.000 0.513 1368 R N 0.923 121.415 120.500 -0.014 0.000 2.451 1368 R HA 0.487 4.827 4.340 -0.000 0.000 0.307 1368 R C -2.712 173.561 176.300 -0.045 0.000 0.965 1368 R CA -2.002 54.081 56.100 -0.029 0.000 0.865 1368 R CB 1.846 32.115 30.300 -0.051 0.000 1.174 1368 R HN 0.163 nan 8.270 nan 0.000 0.455 1369 P HA 0.030 nan 4.420 nan 0.000 0.272 1369 P C -0.690 176.581 177.300 -0.049 0.000 1.240 1369 P CA -0.247 62.835 63.100 -0.030 0.000 0.791 1369 P CB 0.622 32.313 31.700 -0.016 0.000 0.978 1370 E N 1.649 121.828 120.200 -0.035 0.000 2.373 1370 E HA 0.075 4.425 4.350 -0.000 0.000 0.267 1370 E C -0.390 176.188 176.600 -0.038 0.000 1.032 1370 E CA -0.276 56.108 56.400 -0.027 0.000 0.889 1370 E CB 0.399 30.093 29.700 -0.009 0.000 0.984 1370 E HN 0.159 nan 8.360 nan 0.000 0.425 1371 R N 3.344 123.836 120.500 -0.013 0.000 2.513 1371 R HA 0.411 4.750 4.340 -0.000 0.000 0.301 1371 R C -1.622 174.568 176.300 -0.183 0.000 0.968 1371 R CA -0.774 55.260 56.100 -0.111 0.000 0.872 1371 R CB 1.714 32.028 30.300 0.023 0.000 1.177 1371 R HN 0.368 nan 8.270 nan 0.000 0.444 1372 V N 5.240 124.916 119.914 -0.396 0.000 2.540 1372 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 1372 V C -0.888 174.855 176.094 -0.585 0.000 1.035 1372 V CA -0.684 61.408 62.300 -0.348 0.000 0.873 1372 V CB 1.908 33.580 31.823 -0.252 0.000 0.992 1372 V HN 0.506 nan 8.190 nan 0.000 0.428 1373 F N 3.229 123.151 119.950 -0.046 0.000 2.427 1373 F HA 0.498 5.025 4.527 -0.000 0.000 0.348 1373 F C 0.379 176.171 175.800 -0.013 0.000 1.125 1373 F CA -0.634 57.384 58.000 0.030 0.000 0.989 1373 F CB 1.107 40.107 39.000 -0.001 0.000 1.165 1373 F HN 0.452 nan 8.300 nan 0.000 0.442 1374 H N 5.497 124.781 119.070 0.357 0.000 2.782 1374 H HA 0.406 4.962 4.556 -0.000 0.000 0.285 1374 H C -0.379 175.107 175.328 0.265 0.000 1.093 1374 H CA -0.149 56.050 56.048 0.251 0.000 1.410 1374 H CB 0.817 30.688 29.762 0.180 0.000 1.439 1374 H HN 0.504 nan 8.280 nan 0.000 0.469 1375 L N 2.938 124.332 121.223 0.286 0.000 2.322 1375 L HA 0.297 4.637 4.340 -0.000 0.000 0.281 1375 L C 0.179 177.112 176.870 0.105 0.000 1.014 1375 L CA -0.748 54.187 54.840 0.159 0.000 0.815 1375 L CB 1.995 44.070 42.059 0.026 0.000 1.247 1375 L HN 0.520 nan 8.230 nan 0.000 0.421 1376 C N 3.863 123.209 119.300 0.076 0.000 2.251 1376 C HA 0.530 4.990 4.460 -0.000 0.000 0.323 1376 C C 0.839 175.822 174.990 -0.011 0.000 1.241 1376 C CA -0.733 58.312 59.018 0.045 0.000 1.601 1376 C CB -0.631 27.143 27.740 0.058 0.000 2.251 1376 C HN 0.952 nan 8.230 nan 0.000 0.488 1377 C N 3.801 123.080 119.300 -0.035 0.000 2.705 1377 C HA 0.233 4.693 4.460 -0.000 0.000 0.365 1377 C C 2.143 177.110 174.990 -0.038 0.000 1.353 1377 C CA 0.386 59.360 59.018 -0.073 0.000 2.339 1377 C CB 0.592 28.296 27.740 -0.060 0.000 2.576 1377 C HN 0.984 nan 8.230 nan 0.000 0.716 1378 S N 0.156 115.826 115.700 -0.049 0.000 2.561 1378 S HA 0.108 4.578 4.470 -0.000 0.000 0.225 1378 S C 0.343 174.933 174.600 -0.015 0.000 0.977 1378 S CA 0.531 58.713 58.200 -0.029 0.000 0.926 1378 S CB -0.479 62.700 63.200 -0.037 0.000 0.769 1378 S HN 1.235 nan 8.310 nan 0.000 0.533 1379 S N -1.028 114.665 115.700 -0.012 0.000 2.622 1379 S HA 0.378 4.848 4.470 -0.000 0.000 0.275 1379 S C -2.901 171.704 174.600 0.009 0.000 1.112 1379 S CA -0.844 57.355 58.200 -0.001 0.000 0.837 1379 S CB 0.884 64.082 63.200 -0.004 0.000 1.082 1379 S HN -0.002 nan 8.310 nan 0.000 0.456 1380 P HA -0.123 nan 4.420 nan 0.000 0.218 1380 P C 0.829 178.145 177.300 0.026 0.000 1.148 1380 P CA 1.633 64.748 63.100 0.024 0.000 0.822 1380 P CB -0.012 31.701 31.700 0.022 0.000 0.784 1381 E N 0.158 120.368 120.200 0.016 0.000 2.072 1381 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 1381 E C 2.418 179.029 176.600 0.018 0.000 0.985 1381 E CA 1.318 57.727 56.400 0.015 0.000 0.801 1381 E CB -1.198 28.506 29.700 0.005 0.000 0.750 1381 E HN 0.180 nan 8.360 nan 0.000 0.452 1382 S N 0.148 115.853 115.700 0.009 0.000 2.368 1382 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 1382 S C 2.058 176.691 174.600 0.055 0.000 1.030 1382 S CA 1.541 59.743 58.200 0.004 0.000 0.999 1382 S CB -0.109 63.071 63.200 -0.032 0.000 0.844 1382 S HN 0.211 nan 8.310 nan 0.000 0.459 1383 R N 0.599 121.137 120.500 0.063 0.000 2.073 1383 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 1383 R C 2.348 178.727 176.300 0.132 0.000 1.134 1383 R CA 1.855 58.029 56.100 0.124 0.000 0.952 1383 R CB -0.365 29.991 30.300 0.094 0.000 0.850 1383 R HN 0.276 nan 8.270 nan 0.000 0.433 1384 K N 1.068 121.516 120.400 0.080 0.000 2.001 1384 K HA -0.186 4.134 4.320 -0.000 0.000 0.214 1384 K C 1.490 178.125 176.600 0.059 0.000 1.050 1384 K CA 2.473 58.797 56.287 0.063 0.000 0.934 1384 K CB -0.471 32.054 32.500 0.041 0.000 0.718 1384 K HN 0.213 nan 8.250 nan 0.000 0.443 1385 D N -0.519 119.915 120.400 0.055 0.000 2.117 1385 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 1385 D C 1.722 178.061 176.300 0.064 0.000 0.987 1385 D CA 0.993 55.018 54.000 0.041 0.000 0.829 1385 D CB -0.396 40.418 40.800 0.023 0.000 0.961 1385 D HN 0.230 nan 8.370 nan 0.000 0.460 1386 F N 1.413 121.328 119.950 -0.058 0.000 2.069 1386 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 1386 F C 2.085 177.836 175.800 -0.081 0.000 1.113 1386 F CA 1.236 59.190 58.000 -0.076 0.000 1.214 1386 F CB -0.575 38.381 39.000 -0.074 0.000 0.978 1386 F HN -0.110 nan 8.300 nan 0.000 0.474 1387 L N 0.189 121.291 121.223 -0.202 0.000 2.046 1387 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 1387 L C 2.602 179.325 176.870 -0.245 0.000 1.077 1387 L CA 1.872 56.497 54.840 -0.357 0.000 0.747 1387 L CB -0.866 41.135 42.059 -0.098 0.000 0.896 1387 L HN 0.140 nan 8.230 nan 0.000 0.432 1388 K N -0.168 120.201 120.400 -0.051 0.000 2.044 1388 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 1388 K C 2.429 178.995 176.600 -0.056 0.000 1.049 1388 K CA 1.925 58.221 56.287 0.014 0.000 0.927 1388 K CB -0.158 32.349 32.500 0.011 0.000 0.713 1388 K HN 0.139 nan 8.250 nan 0.000 0.443 1389 S N -0.170 115.454 115.700 -0.127 0.000 2.356 1389 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 1389 S C 1.927 176.398 174.600 -0.213 0.000 1.032 1389 S CA 1.525 59.638 58.200 -0.145 0.000 1.005 1389 S CB -0.278 62.843 63.200 -0.131 0.000 0.867 1389 S HN 0.232 nan 8.310 nan 0.000 0.449 1390 V N 2.308 121.980 119.914 -0.403 0.000 2.295 1390 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 1390 V C 2.476 178.399 176.094 -0.286 0.000 1.049 1390 V CA 2.081 64.124 62.300 -0.427 0.000 1.024 1390 V CB -1.013 30.402 31.823 -0.681 0.000 0.648 1390 V HN 0.587 nan 8.190 nan 0.000 0.447 1391 H N -0.215 118.743 119.070 -0.187 0.000 2.352 1391 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 1391 H C 2.707 177.955 175.328 -0.132 0.000 1.097 1391 H CA 1.886 57.851 56.048 -0.138 0.000 1.311 1391 H CB -0.529 29.171 29.762 -0.103 0.000 1.377 1391 H HN 0.469 nan 8.280 nan 0.000 0.504 1392 S N 0.743 116.444 115.700 0.002 0.000 2.359 1392 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 1392 S C 2.329 176.893 174.600 -0.061 0.000 1.039 1392 S CA 1.783 59.964 58.200 -0.031 0.000 1.042 1392 S CB -0.511 62.665 63.200 -0.040 0.000 0.915 1392 S HN 0.521 nan 8.310 nan 0.000 0.439 1393 I N -0.951 119.570 120.570 -0.082 0.000 2.493 1393 I HA -0.045 4.125 4.170 -0.000 0.000 0.254 1393 I C 2.125 178.165 176.117 -0.128 0.000 1.160 1393 I CA 1.251 62.502 61.300 -0.082 0.000 1.445 1393 I CB -0.480 37.480 38.000 -0.067 0.000 1.086 1393 I HN 0.262 nan 8.210 nan 0.000 0.433 1394 L N 0.796 121.913 121.223 -0.177 0.000 2.072 1394 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 1394 L C 2.979 179.568 176.870 -0.468 0.000 1.079 1394 L CA 1.314 55.932 54.840 -0.369 0.000 0.752 1394 L CB -0.609 41.283 42.059 -0.280 0.000 0.906 1394 L HN 0.269 nan 8.230 nan 0.000 0.436 1395 R N 0.542 120.917 120.500 -0.209 0.000 2.097 1395 R HA -0.212 4.128 4.340 -0.000 0.000 0.236 1395 R C 1.946 178.204 176.300 -0.069 0.000 1.135 1395 R CA 2.317 58.351 56.100 -0.111 0.000 0.934 1395 R CB -0.309 29.962 30.300 -0.049 0.000 0.846 1395 R HN 0.335 nan 8.270 nan 0.000 0.431 1396 D N 0.240 120.605 120.400 -0.058 0.000 2.123 1396 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 1396 D C 1.808 178.109 176.300 0.001 0.000 0.992 1396 D CA 1.255 55.242 54.000 -0.021 0.000 0.833 1396 D CB -0.205 40.581 40.800 -0.022 0.000 0.954 1396 D HN 0.139 nan 8.370 nan 0.000 0.455 1397 K N 0.471 120.853 120.400 -0.029 0.000 2.209 1397 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 1397 K C 1.730 178.452 176.600 0.204 0.000 1.048 1397 K CA 1.340 57.657 56.287 0.049 0.000 0.940 1397 K CB -0.127 32.386 32.500 0.021 0.000 0.729 1397 K HN 0.430 nan 8.250 nan 0.000 0.451 1398 H N -1.990 117.085 119.070 0.009 0.000 2.379 1398 H HA 0.166 4.722 4.556 -0.000 0.000 0.308 1398 H C 1.566 176.897 175.328 0.005 0.000 1.047 1398 H CA 0.148 56.201 56.048 0.008 0.000 1.371 1398 H CB 0.117 29.886 29.762 0.012 0.000 1.449 1398 H HN -0.004 nan 8.280 nan 0.000 0.564 1399 R N 1.289 121.869 120.500 0.134 0.000 2.421 1399 R HA -0.063 4.277 4.340 -0.000 0.000 0.208 1399 R C 1.060 177.388 176.300 0.047 0.000 1.103 1399 R CA 0.741 56.881 56.100 0.067 0.000 1.065 1399 R CB 0.140 30.462 30.300 0.037 0.000 0.839 1399 R HN 0.359 nan 8.270 nan 0.000 0.480 1400 R N -2.064 118.469 120.500 0.056 0.000 2.562 1400 R HA 0.147 4.487 4.340 -0.000 0.000 0.191 1400 R C 0.561 176.883 176.300 0.036 0.000 0.835 1400 R CA -0.099 56.023 56.100 0.037 0.000 1.036 1400 R CB 0.509 30.826 30.300 0.029 0.000 1.437 1400 R HN 0.103 nan 8.270 nan 0.000 0.654 1401 Q N 0.000 119.831 119.800 0.052 0.000 2.315 1401 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1401 Q CA 0.000 55.825 55.803 0.037 0.000 1.022 1401 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 1401 Q HN 0.000 nan 8.270 nan 0.000 0.481