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_E 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 0.009 0.000 1.165 1035 L CA 0.000 54.847 54.840 0.012 0.000 0.813 1035 L CB 0.000 42.066 42.059 0.012 0.000 0.961 1036 S N -0.961 114.746 115.700 0.013 0.000 2.690 1036 S HA 0.521 4.991 4.470 -0.000 0.000 0.285 1036 S C 0.343 174.942 174.600 -0.002 0.000 1.135 1036 S CA -0.013 58.193 58.200 0.009 0.000 1.020 1036 S CB 0.847 64.059 63.200 0.020 0.000 1.159 1036 S HN 0.727 nan 8.310 nan 0.000 0.534 1037 D N 0.828 121.224 120.400 -0.007 0.000 2.144 1037 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 1037 D C 2.176 178.446 176.300 -0.050 0.000 0.978 1037 D CA 1.513 55.495 54.000 -0.029 0.000 0.833 1037 D CB -0.647 40.136 40.800 -0.028 0.000 0.961 1037 D HN 0.623 nan 8.370 nan 0.000 0.470 1038 A N 1.704 124.523 122.820 -0.001 0.000 1.877 1038 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 1038 A C 1.897 179.482 177.584 0.002 0.000 1.186 1038 A CA 1.612 53.669 52.037 0.033 0.000 0.620 1038 A CB -0.352 18.757 19.000 0.181 0.000 0.822 1038 A HN 0.068 nan 8.150 nan 0.000 0.443 1039 D N -0.086 120.332 120.400 0.030 0.000 2.084 1039 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 1039 D C 1.906 178.198 176.300 -0.014 0.000 0.990 1039 D CA 1.525 55.543 54.000 0.029 0.000 0.826 1039 D CB -0.349 40.468 40.800 0.029 0.000 0.971 1039 D HN 0.470 nan 8.370 nan 0.000 0.453 1040 K N 0.333 120.714 120.400 -0.032 0.000 2.044 1040 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 1040 K C 2.252 178.803 176.600 -0.081 0.000 1.049 1040 K CA 0.682 56.943 56.287 -0.043 0.000 0.927 1040 K CB -0.341 32.135 32.500 -0.040 0.000 0.713 1040 K HN 0.020 nan 8.250 nan 0.000 0.443 1041 L N 1.466 122.593 121.223 -0.160 0.000 2.012 1041 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 1041 L C 2.517 179.235 176.870 -0.253 0.000 1.073 1041 L CA 1.595 56.271 54.840 -0.273 0.000 0.748 1041 L CB -0.322 41.410 42.059 -0.544 0.000 0.891 1041 L HN 0.080 nan 8.230 nan 0.000 0.431 1042 R N -0.638 119.735 120.500 -0.212 0.000 2.105 1042 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 1042 R C 2.161 178.469 176.300 0.013 0.000 1.135 1042 R CA 1.324 57.416 56.100 -0.013 0.000 0.967 1042 R CB -0.049 30.330 30.300 0.132 0.000 0.861 1042 R HN 0.302 nan 8.270 nan 0.000 0.442 1043 K N 0.121 120.518 120.400 -0.005 0.000 2.009 1043 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 1043 K C 2.161 178.767 176.600 0.011 0.000 1.049 1043 K CA 1.520 57.812 56.287 0.009 0.000 0.929 1043 K CB -0.760 31.740 32.500 0.001 0.000 0.714 1043 K HN 0.116 nan 8.250 nan 0.000 0.440 1044 V N 2.270 122.181 119.914 -0.005 0.000 2.287 1044 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 1044 V C 2.507 178.623 176.094 0.037 0.000 1.053 1044 V CA 1.659 63.965 62.300 0.011 0.000 1.027 1044 V CB -0.569 31.253 31.823 -0.003 0.000 0.646 1044 V HN 0.199 nan 8.190 nan 0.000 0.447 1045 I N -0.387 120.200 120.570 0.029 0.000 2.264 1045 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 1045 I C 2.530 178.691 176.117 0.073 0.000 1.111 1045 I CA 1.620 62.959 61.300 0.066 0.000 1.382 1045 I CB -0.506 37.542 38.000 0.080 0.000 1.060 1045 I HN 0.385 nan 8.210 nan 0.000 0.418 1046 C N 0.050 119.387 119.300 0.062 0.000 2.457 1046 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 1046 C C 2.741 177.765 174.990 0.056 0.000 1.309 1046 C CA 0.495 59.548 59.018 0.059 0.000 1.735 1046 C CB -0.870 26.902 27.740 0.053 0.000 1.992 1046 C HN 0.509 nan 8.230 nan 0.000 0.493 1047 E N 0.731 120.962 120.200 0.051 0.000 2.051 1047 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 1047 E C 2.181 178.823 176.600 0.070 0.000 0.991 1047 E CA 0.841 57.270 56.400 0.048 0.000 0.799 1047 E CB -0.218 29.503 29.700 0.035 0.000 0.748 1047 E HN 0.591 nan 8.360 nan 0.000 0.449 1048 L N 0.767 122.047 121.223 0.095 0.000 1.971 1048 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 1048 L C 2.502 179.457 176.870 0.142 0.000 1.072 1048 L CA 1.465 56.397 54.840 0.153 0.000 0.758 1048 L CB -0.334 41.839 42.059 0.191 0.000 0.889 1048 L HN 0.319 nan 8.230 nan 0.000 0.433 1049 L N -0.287 120.993 121.223 0.096 0.000 2.017 1049 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 1049 L C 2.583 179.493 176.870 0.067 0.000 1.073 1049 L CA 1.482 56.361 54.840 0.065 0.000 0.745 1049 L CB -0.308 41.775 42.059 0.040 0.000 0.894 1049 L HN 0.329 nan 8.230 nan 0.000 0.432 1050 E N -0.724 119.514 120.200 0.063 0.000 2.051 1050 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 1050 E C 2.076 178.719 176.600 0.072 0.000 0.991 1050 E CA 1.919 58.354 56.400 0.058 0.000 0.799 1050 E CB -0.205 29.523 29.700 0.047 0.000 0.748 1050 E HN 0.591 nan 8.360 nan 0.000 0.449 1051 T N -0.508 114.093 114.554 0.077 0.000 2.833 1051 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 1051 T C 1.875 176.659 174.700 0.141 0.000 1.054 1051 T CA 1.400 63.550 62.100 0.083 0.000 1.135 1051 T CB -0.058 68.838 68.868 0.046 0.000 0.869 1051 T HN -0.025 nan 8.240 nan 0.000 0.466 1052 E N 1.551 121.853 120.200 0.170 0.000 2.072 1052 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 1052 E C 2.455 179.176 176.600 0.201 0.000 0.985 1052 E CA 1.104 57.653 56.400 0.248 0.000 0.801 1052 E CB -0.236 29.601 29.700 0.229 0.000 0.750 1052 E HN 0.589 nan 8.360 nan 0.000 0.452 1053 R N -0.607 119.964 120.500 0.118 0.000 2.081 1053 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 1053 R C 2.427 178.781 176.300 0.090 0.000 1.131 1053 R CA 1.787 57.933 56.100 0.078 0.000 0.960 1053 R CB -0.586 29.744 30.300 0.050 0.000 0.856 1053 R HN 0.169 nan 8.270 nan 0.000 0.436 1054 T N 0.453 115.074 114.554 0.111 0.000 2.674 1054 T HA -0.210 4.140 4.350 -0.000 0.000 0.265 1054 T C 1.446 176.241 174.700 0.159 0.000 1.039 1054 T CA 1.505 63.673 62.100 0.113 0.000 1.150 1054 T CB -0.479 68.450 68.868 0.102 0.000 0.864 1054 T HN 0.269 nan 8.240 nan 0.000 0.427 1055 Y N 2.212 122.549 120.300 0.062 0.000 2.114 1055 Y HA -0.204 4.346 4.550 -0.000 0.000 0.282 1055 Y C 2.310 178.260 175.900 0.084 0.000 1.165 1055 Y CA 0.732 58.877 58.100 0.074 0.000 1.148 1055 Y CB -0.928 37.584 38.460 0.087 0.000 0.972 1055 Y HN -0.009 nan 8.280 nan 0.000 0.504 1056 V N 1.032 120.934 119.914 -0.021 0.000 2.287 1056 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 1056 V C 2.502 178.537 176.094 -0.098 0.000 1.053 1056 V CA 2.456 64.677 62.300 -0.132 0.000 1.027 1056 V CB -0.816 30.994 31.823 -0.022 0.000 0.646 1056 V HN 0.391 nan 8.190 nan 0.000 0.447 1057 K N -0.182 120.210 120.400 -0.014 0.000 2.057 1057 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 1057 K C 1.865 178.481 176.600 0.027 0.000 1.049 1057 K CA 1.929 58.221 56.287 0.009 0.000 0.931 1057 K CB -0.257 32.267 32.500 0.040 0.000 0.714 1057 K HN 0.491 nan 8.250 nan 0.000 0.440 1058 D N 0.790 121.230 120.400 0.067 0.000 2.117 1058 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 1058 D C 1.982 178.328 176.300 0.078 0.000 0.987 1058 D CA 0.778 54.897 54.000 0.198 0.000 0.829 1058 D CB -0.086 40.865 40.800 0.252 0.000 0.961 1058 D HN 0.124 nan 8.370 nan 0.000 0.460 1059 L N 1.713 122.866 121.223 -0.118 0.000 1.989 1059 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 1059 L C 1.965 178.761 176.870 -0.122 0.000 1.071 1059 L CA 1.480 56.203 54.840 -0.195 0.000 0.749 1059 L CB -0.946 40.877 42.059 -0.394 0.000 0.890 1059 L HN 0.014 nan 8.230 nan 0.000 0.431 1060 N N -1.462 117.179 118.700 -0.097 0.000 2.166 1060 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 1060 N C 2.003 177.466 175.510 -0.078 0.000 1.019 1060 N CA 1.608 54.617 53.050 -0.068 0.000 0.856 1060 N CB -0.705 37.755 38.487 -0.045 0.000 0.993 1060 N HN 0.449 nan 8.380 nan 0.000 0.426 1061 C N 1.369 120.618 119.300 -0.085 0.000 2.425 1061 C HA 0.085 4.545 4.460 -0.000 0.000 0.277 1061 C C 1.776 176.598 174.990 -0.279 0.000 1.280 1061 C CA -0.318 58.616 59.018 -0.141 0.000 1.744 1061 C CB -1.124 26.568 27.740 -0.079 0.000 1.989 1061 C HN 0.292 nan 8.230 nan 0.000 0.491 1065 R N 0.347 120.778 120.500 -0.115 0.000 2.075 1065 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 1065 R C 1.500 177.598 176.300 -0.336 0.000 1.126 1065 R CA 1.914 57.868 56.100 -0.243 0.000 0.963 1065 R CB -0.033 30.089 30.300 -0.296 0.000 0.858 1065 R HN 0.173 nan 8.270 nan 0.000 0.435 1066 Y N -1.750 118.483 120.300 -0.111 0.000 2.678 1066 Y HA 0.239 4.789 4.550 -0.000 0.000 0.274 1066 Y C 1.755 177.697 175.900 0.071 0.000 1.114 1066 Y CA 0.015 58.120 58.100 0.009 0.000 1.274 1066 Y CB -0.160 38.276 38.460 -0.040 0.000 1.438 1066 Y HN -0.163 nan 8.280 nan 0.000 0.493 1067 L N 0.451 121.696 121.223 0.038 0.000 1.961 1067 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1067 L C 2.202 179.158 176.870 0.143 0.000 1.072 1067 L CA 1.809 56.496 54.840 -0.255 0.000 0.749 1067 L CB -0.637 40.793 42.059 -1.048 0.000 0.889 1067 L HN 0.169 nan 8.230 nan 0.000 0.432 1068 K N -0.094 120.413 120.400 0.180 0.000 2.009 1068 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 1068 K C -0.388 176.330 176.600 0.198 0.000 1.049 1068 K CA 1.794 58.238 56.287 0.261 0.000 0.929 1068 K CB -1.311 31.282 32.500 0.156 0.000 0.714 1068 K HN 0.332 nan 8.250 nan 0.000 0.440 1069 P HA -0.164 nan 4.420 nan 0.000 0.223 1069 P C 1.247 178.603 177.300 0.092 0.000 1.144 1069 P CA 1.258 64.467 63.100 0.181 0.000 0.783 1069 P CB 0.040 31.923 31.700 0.306 0.000 0.771 1070 L N -0.798 120.521 121.223 0.159 0.000 2.179 1070 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 1070 L C 2.940 179.818 176.870 0.013 0.000 1.096 1070 L CA 1.062 55.921 54.840 0.032 0.000 0.779 1070 L CB -0.622 41.590 42.059 0.255 0.000 0.922 1070 L HN -0.040 nan 8.230 nan 0.000 0.443 1071 Q N 0.750 120.625 119.800 0.125 0.000 2.061 1071 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 1071 Q C 1.161 177.130 176.000 -0.051 0.000 0.984 1071 Q CA 1.536 57.366 55.803 0.046 0.000 0.846 1071 Q CB -0.180 28.589 28.738 0.050 0.000 0.902 1071 Q HN 0.485 nan 8.270 nan 0.000 0.421 1072 K N 0.930 121.295 120.400 -0.058 0.000 3.322 1072 K HA 0.152 4.472 4.320 -0.000 0.000 0.291 1072 K C -0.336 176.136 176.600 -0.214 0.000 1.131 1072 K CA 0.171 56.395 56.287 -0.105 0.000 1.185 1072 K CB 0.283 32.745 32.500 -0.064 0.000 1.338 1072 K HN -0.070 nan 8.250 nan 0.000 0.380 1073 E N -0.613 119.422 120.200 -0.274 0.000 2.456 1073 E HA 0.298 4.648 4.350 -0.000 0.000 0.276 1073 E C -0.477 175.906 176.600 -0.361 0.000 0.981 1073 E CA -0.716 55.396 56.400 -0.479 0.000 0.814 1073 E CB 1.868 31.087 29.700 -0.802 0.000 1.382 1073 E HN 0.042 nan 8.360 nan 0.000 0.459 1074 T N 0.545 114.839 114.554 -0.433 0.000 3.010 1074 T HA 0.227 4.577 4.350 -0.000 0.000 0.257 1074 T C 1.148 175.822 174.700 -0.044 0.000 1.020 1074 T CA -0.175 61.811 62.100 -0.189 0.000 0.938 1074 T CB -0.153 68.643 68.868 -0.119 0.000 1.049 1074 T HN 0.358 nan 8.240 nan 0.000 0.522 1075 F N 1.532 121.408 119.950 -0.123 0.000 2.027 1075 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 1075 F C 1.073 176.727 175.800 -0.243 0.000 1.129 1075 F CA 0.528 58.425 58.000 -0.172 0.000 1.195 1075 F CB -0.254 38.628 39.000 -0.196 0.000 0.960 1075 F HN 0.065 nan 8.300 nan 0.000 0.485 1076 L N 0.024 121.228 121.223 -0.032 0.000 2.399 1076 L HA 0.279 4.619 4.340 -0.000 0.000 0.265 1076 L C 0.634 177.469 176.870 -0.059 0.000 1.089 1076 L CA -0.845 53.933 54.840 -0.102 0.000 0.802 1076 L CB 1.362 43.358 42.059 -0.105 0.000 1.180 1076 L HN 0.094 nan 8.230 nan 0.000 0.454 1077 T N -2.316 112.204 114.554 -0.057 0.000 2.770 1077 T HA 0.069 4.419 4.350 -0.000 0.000 0.281 1077 T C 0.635 175.312 174.700 -0.040 0.000 0.981 1077 T CA -0.421 61.652 62.100 -0.045 0.000 0.955 1077 T CB 1.155 69.998 68.868 -0.041 0.000 1.060 1077 T HN 0.549 nan 8.240 nan 0.000 0.531 1078 Q N 0.452 120.226 119.800 -0.043 0.000 2.084 1078 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 1078 Q C 1.575 177.553 176.000 -0.036 0.000 0.978 1078 Q CA 2.241 58.015 55.803 -0.049 0.000 0.844 1078 Q CB -0.974 27.730 28.738 -0.057 0.000 0.898 1078 Q HN 0.848 nan 8.270 nan 0.000 0.426 1079 D N 0.137 120.518 120.400 -0.032 0.000 2.092 1079 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 1079 D C 1.699 177.993 176.300 -0.010 0.000 0.994 1079 D CA 1.705 55.691 54.000 -0.023 0.000 0.828 1079 D CB -0.150 40.635 40.800 -0.024 0.000 0.963 1079 D HN 0.467 nan 8.370 nan 0.000 0.450 1080 E N 0.156 120.346 120.200 -0.017 0.000 2.085 1080 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 1080 E C 2.245 178.865 176.600 0.033 0.000 0.994 1080 E CA 0.593 56.985 56.400 -0.014 0.000 0.801 1080 E CB -0.172 29.497 29.700 -0.052 0.000 0.743 1080 E HN 0.311 nan 8.360 nan 0.000 0.453 1081 L N 1.250 122.505 121.223 0.054 0.000 2.093 1081 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 1081 L C 1.969 178.973 176.870 0.224 0.000 1.085 1081 L CA 0.825 55.765 54.840 0.166 0.000 0.755 1081 L CB -0.352 41.775 42.059 0.113 0.000 0.904 1081 L HN 0.100 nan 8.230 nan 0.000 0.435 1082 D N -0.258 120.192 120.400 0.083 0.000 2.144 1082 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 1082 D C 2.309 178.667 176.300 0.097 0.000 0.984 1082 D CA 1.156 55.196 54.000 0.068 0.000 0.834 1082 D CB -0.107 40.694 40.800 0.002 0.000 0.955 1082 D HN 0.158 nan 8.370 nan 0.000 0.465 1083 V N 1.456 121.404 119.914 0.057 0.000 2.343 1083 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 1083 V C 2.641 178.740 176.094 0.008 0.000 1.051 1083 V CA 1.129 63.434 62.300 0.009 0.000 1.036 1083 V CB -0.444 31.369 31.823 -0.018 0.000 0.654 1083 V HN 0.181 nan 8.190 nan 0.000 0.451 1084 L N -1.727 119.544 121.223 0.079 0.000 1.988 1084 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 1084 L C 2.401 179.329 176.870 0.097 0.000 1.071 1084 L CA 1.637 56.512 54.840 0.058 0.000 0.744 1084 L CB -0.728 41.379 42.059 0.080 0.000 0.893 1084 L HN 0.212 nan 8.230 nan 0.000 0.433 1085 F N 0.795 120.783 119.950 0.063 0.000 1.982 1085 F HA 0.003 4.530 4.527 0.000 0.000 0.296 1085 F C 1.650 177.524 175.800 0.124 0.000 1.199 1085 F CA 1.289 59.346 58.000 0.094 0.000 1.174 1085 F CB -1.335 37.703 39.000 0.063 0.000 0.963 1085 F HN 0.184 nan 8.300 nan 0.000 0.495 1086 G N 1.619 110.607 108.800 0.314 0.000 2.505 1086 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.191 1086 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.191 1086 G C 0.435 175.479 174.900 0.241 0.000 0.542 1086 G CA 0.118 45.336 45.100 0.196 0.000 0.917 1086 G HN 1.083 nan 8.290 nan 0.000 0.336 1087 N N 0.003 118.805 118.700 0.170 0.000 2.608 1087 N HA -0.311 4.429 4.740 -0.000 0.000 0.246 1087 N C 1.196 176.795 175.510 0.147 0.000 1.162 1087 N CA 1.815 54.948 53.050 0.138 0.000 0.736 1087 N CB -1.094 37.457 38.487 0.107 0.000 1.078 1087 N HN 0.987 nan 8.380 nan 0.000 0.554 1088 L N 0.406 121.750 121.223 0.200 0.000 2.056 1088 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 1088 L C 2.686 179.616 176.870 0.100 0.000 1.078 1088 L CA 2.157 57.078 54.840 0.136 0.000 0.749 1088 L CB -0.550 41.606 42.059 0.161 0.000 0.901 1088 L HN 0.607 nan 8.230 nan 0.000 0.433 1089 T N -2.862 111.780 114.554 0.146 0.000 2.746 1089 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 1089 T C 1.054 175.811 174.700 0.094 0.000 1.039 1089 T CA 0.664 62.834 62.100 0.116 0.000 1.142 1089 T CB -0.334 68.610 68.868 0.126 0.000 0.866 1089 T HN 0.441 nan 8.240 nan 0.000 0.444 1093 E N 0.790 121.041 120.200 0.085 0.000 2.070 1093 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 1093 E C 1.946 178.617 176.600 0.120 0.000 1.004 1093 E CA 2.270 58.723 56.400 0.089 0.000 0.805 1093 E CB -0.185 29.576 29.700 0.103 0.000 0.744 1093 E HN 0.617 nan 8.360 nan 0.000 0.451 1094 F N 2.175 122.153 119.950 0.046 0.000 2.046 1094 F HA -0.265 4.263 4.527 0.000 0.000 0.297 1094 F C 2.507 178.331 175.800 0.041 0.000 1.123 1094 F CA 1.984 60.022 58.000 0.062 0.000 1.199 1094 F CB -0.616 38.425 39.000 0.067 0.000 0.972 1094 F HN -0.105 nan 8.300 nan 0.000 0.474 1095 Q N 0.652 120.192 119.800 -0.433 0.000 2.112 1095 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 1095 Q C 2.148 178.010 176.000 -0.231 0.000 0.987 1095 Q CA 2.416 57.960 55.803 -0.430 0.000 0.858 1095 Q CB -0.762 27.948 28.738 -0.047 0.000 0.905 1095 Q HN 0.415 nan 8.270 nan 0.000 0.420 1096 V N 0.392 120.224 119.914 -0.136 0.000 2.332 1096 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 1096 V C 2.173 178.188 176.094 -0.131 0.000 1.055 1096 V CA 2.117 64.360 62.300 -0.095 0.000 1.038 1096 V CB -0.610 31.184 31.823 -0.049 0.000 0.651 1096 V HN 0.335 nan 8.190 nan 0.000 0.450 1097 E N -0.297 119.818 120.200 -0.141 0.000 2.072 1097 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 1097 E C 1.855 178.269 176.600 -0.309 0.000 0.985 1097 E CA 1.232 57.559 56.400 -0.122 0.000 0.801 1097 E CB -0.445 29.275 29.700 0.034 0.000 0.750 1097 E HN 0.544 nan 8.360 nan 0.000 0.452 1098 F N 0.528 120.004 119.950 -0.789 0.000 2.095 1098 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 1098 F C 1.966 177.434 175.800 -0.553 0.000 1.104 1098 F CA 1.273 58.617 58.000 -1.093 0.000 1.232 1098 F CB -0.574 37.681 39.000 -1.241 0.000 0.987 1098 F HN 0.170 nan 8.300 nan 0.000 0.475 1099 L N 1.125 122.099 121.223 -0.416 0.000 2.012 1099 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 1099 L C 2.262 178.945 176.870 -0.313 0.000 1.073 1099 L CA 1.950 56.583 54.840 -0.345 0.000 0.748 1099 L CB -1.070 40.913 42.059 -0.126 0.000 0.891 1099 L HN 0.122 nan 8.230 nan 0.000 0.431 1100 K N -0.851 119.408 120.400 -0.235 0.000 2.074 1100 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 1100 K C 1.978 178.465 176.600 -0.189 0.000 1.048 1100 K CA 2.099 58.287 56.287 -0.165 0.000 0.926 1100 K CB -0.700 31.733 32.500 -0.111 0.000 0.713 1100 K HN 0.680 nan 8.250 nan 0.000 0.444 1101 T N 0.192 114.590 114.554 -0.261 0.000 2.788 1101 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 1101 T C 1.981 176.523 174.700 -0.264 0.000 1.044 1101 T CA 1.004 62.969 62.100 -0.224 0.000 1.139 1101 T CB -0.410 68.326 68.868 -0.219 0.000 0.867 1101 T HN 0.091 nan 8.240 nan 0.000 0.454 1102 L N 0.404 121.374 121.223 -0.421 0.000 2.027 1102 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 1102 L C 3.295 180.062 176.870 -0.171 0.000 1.074 1102 L CA 1.365 55.999 54.840 -0.343 0.000 0.745 1102 L CB -0.559 41.227 42.059 -0.455 0.000 0.898 1102 L HN 0.208 nan 8.230 nan 0.000 0.433 1103 E N 0.440 120.548 120.200 -0.154 0.000 2.038 1103 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 1103 E C 1.807 178.374 176.600 -0.056 0.000 1.000 1103 E CA 1.436 57.786 56.400 -0.083 0.000 0.803 1103 E CB -0.375 29.280 29.700 -0.075 0.000 0.750 1103 E HN 0.499 nan 8.360 nan 0.000 0.448 1104 D N 0.066 120.427 120.400 -0.064 0.000 2.092 1104 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 1104 D C 2.024 178.317 176.300 -0.012 0.000 0.994 1104 D CA 1.512 55.491 54.000 -0.034 0.000 0.828 1104 D CB -0.630 40.149 40.800 -0.035 0.000 0.963 1104 D HN 0.304 nan 8.370 nan 0.000 0.450 1105 G N 0.898 109.686 108.800 -0.020 0.000 2.469 1105 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 1105 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 1105 G C 1.710 176.635 174.900 0.042 0.000 1.136 1105 G CA 0.736 45.848 45.100 0.020 0.000 0.759 1105 G HN 0.306 nan 8.290 nan 0.000 0.562 1106 V N 0.299 120.227 119.914 0.023 0.000 3.041 1106 V HA 0.117 4.237 4.120 -0.000 0.000 0.260 1106 V C 2.444 178.560 176.094 0.038 0.000 1.105 1106 V CA 0.974 63.303 62.300 0.048 0.000 1.125 1106 V CB -0.328 31.520 31.823 0.041 0.000 0.730 1106 V HN 0.371 nan 8.190 nan 0.000 0.479 1107 R N -0.538 119.974 120.500 0.020 0.000 2.310 1107 R HA 0.218 4.558 4.340 -0.000 0.000 0.202 1107 R C 1.651 177.960 176.300 0.014 0.000 0.933 1107 R CA 0.148 56.255 56.100 0.013 0.000 1.054 1107 R CB -0.077 30.225 30.300 0.003 0.000 0.985 1107 R HN 0.429 nan 8.270 nan 0.000 0.489 1108 L N 0.802 122.042 121.223 0.027 0.000 2.642 1108 L HA -0.012 4.328 4.340 -0.000 0.000 0.236 1108 L C 0.121 176.998 176.870 0.011 0.000 1.169 1108 L CA 0.573 55.430 54.840 0.028 0.000 0.851 1108 L CB -0.054 42.038 42.059 0.055 0.000 0.968 1108 L HN -0.095 nan 8.230 nan 0.000 0.453 1109 V N -1.041 118.874 119.914 0.001 0.000 2.841 1109 V HA 0.234 4.354 4.120 -0.000 0.000 0.310 1109 V C -1.263 174.815 176.094 -0.026 0.000 1.090 1109 V CA -1.025 61.258 62.300 -0.027 0.000 0.930 1109 V CB 2.172 33.957 31.823 -0.062 0.000 1.014 1109 V HN -0.140 nan 8.190 nan 0.000 0.425 1110 P HA -0.110 nan 4.420 nan 0.000 0.213 1110 P C -0.041 177.246 177.300 -0.023 0.000 1.170 1110 P CA 1.483 64.568 63.100 -0.025 0.000 0.902 1110 P CB 0.496 32.179 31.700 -0.029 0.000 0.789 1111 D N -2.230 118.147 120.400 -0.037 0.000 2.764 1111 D HA 0.206 4.846 4.640 -0.000 0.000 0.227 1111 D C 1.067 177.338 176.300 -0.049 0.000 1.347 1111 D CA -0.388 53.597 54.000 -0.026 0.000 0.953 1111 D CB 0.749 41.540 40.800 -0.016 0.000 1.476 1111 D HN -0.245 nan 8.370 nan 0.000 0.585 1112 L N 2.333 123.546 121.223 -0.017 0.000 2.042 1112 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 1112 L C 1.651 178.538 176.870 0.029 0.000 1.076 1112 L CA 1.050 55.886 54.840 -0.006 0.000 0.749 1112 L CB -0.262 41.896 42.059 0.166 0.000 0.893 1112 L HN 0.476 nan 8.230 nan 0.000 0.432 1113 E N 0.579 120.808 120.200 0.049 0.000 2.333 1113 E HA -0.236 4.114 4.350 -0.000 0.000 0.200 1113 E C 1.931 178.548 176.600 0.028 0.000 1.010 1113 E CA 1.234 57.666 56.400 0.053 0.000 0.841 1113 E CB -0.225 29.498 29.700 0.039 0.000 0.757 1113 E HN 0.588 nan 8.360 nan 0.000 0.508 1114 K N -0.317 120.075 120.400 -0.013 0.000 2.323 1114 K HA 0.057 4.377 4.320 -0.000 0.000 0.197 1114 K C 0.080 176.652 176.600 -0.047 0.000 1.043 1114 K CA -0.092 56.179 56.287 -0.026 0.000 0.997 1114 K CB 0.092 32.569 32.500 -0.038 0.000 0.807 1114 K HN -0.062 nan 8.250 nan 0.000 0.497 1115 L N 2.910 124.064 121.223 -0.115 0.000 2.490 1115 L HA 0.027 4.367 4.340 -0.000 0.000 0.274 1115 L C 0.954 177.836 176.870 0.019 0.000 1.201 1115 L CA 0.832 55.565 54.840 -0.177 0.000 0.869 1115 L CB 0.629 42.283 42.059 -0.674 0.000 1.123 1115 L HN 0.218 nan 8.230 nan 0.000 0.484 1116 E N 1.565 121.789 120.200 0.039 0.000 2.465 1116 E HA 0.139 4.489 4.350 -0.000 0.000 0.209 1116 E C -0.215 176.463 176.600 0.131 0.000 0.951 1116 E CA 0.087 56.540 56.400 0.088 0.000 0.997 1116 E CB 0.611 30.338 29.700 0.045 0.000 1.025 1116 E HN 0.495 nan 8.360 nan 0.000 0.500 1117 K N 1.092 121.584 120.400 0.155 0.000 2.316 1117 K HA 0.173 4.493 4.320 -0.000 0.000 0.251 1117 K C 1.054 177.857 176.600 0.339 0.000 0.934 1117 K CA -0.259 56.132 56.287 0.173 0.000 0.802 1117 K CB 2.704 35.263 32.500 0.098 0.000 1.171 1117 K HN -0.148 nan 8.250 nan 0.000 0.426 1118 V N -1.547 118.522 119.914 0.257 0.000 2.392 1118 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 1118 V C 1.686 178.000 176.094 0.367 0.000 1.059 1118 V CA 2.001 64.453 62.300 0.254 0.000 1.051 1118 V CB -0.348 31.496 31.823 0.035 0.000 0.658 1118 V HN 0.909 nan 8.190 nan 0.000 0.455 1119 D N 0.480 121.007 120.400 0.212 0.000 2.271 1119 D HA -0.238 4.402 4.640 -0.000 0.000 0.207 1119 D C 2.094 178.488 176.300 0.158 0.000 0.983 1119 D CA 1.692 55.785 54.000 0.155 0.000 0.878 1119 D CB -0.112 40.740 40.800 0.088 0.000 0.920 1119 D HN 0.742 nan 8.370 nan 0.000 0.479 1120 Q N -1.225 118.672 119.800 0.163 0.000 2.444 1120 Q HA -0.014 4.326 4.340 -0.000 0.000 0.206 1120 Q C 0.828 176.769 176.000 -0.099 0.000 0.948 1120 Q CA 0.184 55.979 55.803 -0.012 0.000 0.946 1120 Q CB 0.112 28.766 28.738 -0.140 0.000 1.027 1120 Q HN 0.330 nan 8.270 nan 0.000 0.513 1121 F N 0.204 120.185 119.950 0.051 0.000 2.695 1121 F HA 0.181 4.708 4.527 -0.000 0.000 0.303 1121 F C 1.534 177.388 175.800 0.090 0.000 1.091 1121 F CA -0.225 57.814 58.000 0.066 0.000 1.300 1121 F CB 0.229 39.270 39.000 0.069 0.000 1.071 1121 F HN -0.112 nan 8.300 nan 0.000 0.578 1122 K N 1.132 121.679 120.400 0.246 0.000 2.066 1122 K HA -0.325 3.995 4.320 -0.000 0.000 0.221 1122 K C 1.910 178.646 176.600 0.228 0.000 1.056 1122 K CA 2.332 58.746 56.287 0.212 0.000 0.950 1122 K CB -0.323 32.257 32.500 0.134 0.000 0.726 1122 K HN 0.259 nan 8.250 nan 0.000 0.456 1123 K N 0.441 120.932 120.400 0.152 0.000 2.044 1123 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 1123 K C 2.193 178.925 176.600 0.221 0.000 1.049 1123 K CA 1.926 58.301 56.287 0.147 0.000 0.927 1123 K CB -0.328 32.216 32.500 0.074 0.000 0.713 1123 K HN 0.000 nan 8.250 nan 0.000 0.443 1124 V N 1.972 122.009 119.914 0.205 0.000 2.307 1124 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 1124 V C 2.318 178.552 176.094 0.234 0.000 1.045 1124 V CA 1.562 63.987 62.300 0.207 0.000 1.024 1124 V CB -0.501 31.456 31.823 0.223 0.000 0.651 1124 V HN 0.279 nan 8.190 nan 0.000 0.449 1125 L N -1.141 120.242 121.223 0.267 0.000 2.013 1125 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 1125 L C 2.422 179.446 176.870 0.257 0.000 1.073 1125 L CA 2.086 57.071 54.840 0.243 0.000 0.753 1125 L CB -0.711 41.492 42.059 0.241 0.000 0.890 1125 L HN 0.337 nan 8.230 nan 0.000 0.432 1126 F N 0.399 120.453 119.950 0.173 0.000 2.046 1126 F HA -0.317 4.210 4.527 -0.000 0.000 0.297 1126 F C 2.973 178.844 175.800 0.119 0.000 1.123 1126 F CA 2.052 60.150 58.000 0.163 0.000 1.199 1126 F CB -0.378 38.716 39.000 0.157 0.000 0.972 1126 F HN -0.028 nan 8.300 nan 0.000 0.474 1127 S N 0.158 116.037 115.700 0.298 0.000 2.368 1127 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 1127 S C 2.142 176.786 174.600 0.072 0.000 1.030 1127 S CA 1.562 59.867 58.200 0.175 0.000 0.999 1127 S CB -0.576 62.733 63.200 0.181 0.000 0.844 1127 S HN 0.407 nan 8.310 nan 0.000 0.459 1128 L N 0.746 122.024 121.223 0.091 0.000 1.994 1128 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 1128 L C 2.912 179.870 176.870 0.148 0.000 1.071 1128 L CA 1.371 56.255 54.840 0.073 0.000 0.745 1128 L CB -1.311 40.838 42.059 0.151 0.000 0.892 1128 L HN 0.478 nan 8.230 nan 0.000 0.431 1129 G N -0.247 108.653 108.800 0.167 0.000 2.469 1129 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 1129 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 1129 G C 1.563 176.509 174.900 0.076 0.000 1.150 1129 G CA 0.913 46.120 45.100 0.178 0.000 0.763 1129 G HN 0.517 nan 8.290 nan 0.000 0.561 1130 G N 0.703 109.446 108.800 -0.094 0.000 2.491 1130 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 1130 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 1130 G C 2.135 177.093 174.900 0.097 0.000 1.180 1130 G CA 1.523 46.543 45.100 -0.133 0.000 0.774 1130 G HN 0.425 nan 8.290 nan 0.000 0.562 1131 S N 0.729 116.517 115.700 0.145 0.000 2.380 1131 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 1131 S C 1.995 176.801 174.600 0.344 0.000 1.043 1131 S CA 1.500 59.829 58.200 0.214 0.000 1.038 1131 S CB -0.424 62.624 63.200 -0.253 0.000 0.872 1131 S HN 0.402 nan 8.310 nan 0.000 0.456 1132 F N 1.313 121.474 119.950 0.350 0.000 2.146 1132 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 1132 F C 2.088 178.006 175.800 0.196 0.000 1.096 1132 F CA 0.700 58.886 58.000 0.310 0.000 1.275 1132 F CB -0.509 38.568 39.000 0.129 0.000 1.008 1132 F HN 0.112 nan 8.300 nan 0.000 0.480 1133 L N -1.410 119.933 121.223 0.200 0.000 2.046 1133 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 1133 L C 2.304 179.163 176.870 -0.019 0.000 1.077 1133 L CA 1.586 56.425 54.840 -0.003 0.000 0.747 1133 L CB -1.014 40.920 42.059 -0.208 0.000 0.896 1133 L HN 0.171 nan 8.230 nan 0.000 0.432 1134 Y N -1.296 119.023 120.300 0.031 0.000 2.145 1134 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 1134 Y C 2.315 178.063 175.900 -0.253 0.000 1.145 1134 Y CA 1.448 59.468 58.100 -0.133 0.000 1.148 1134 Y CB -0.246 38.096 38.460 -0.197 0.000 0.981 1134 Y HN 0.042 nan 8.280 nan 0.000 0.507 1135 Y N -1.440 118.979 120.300 0.197 0.000 2.523 1135 Y HA 0.115 4.665 4.550 -0.000 0.000 0.279 1135 Y C 2.229 178.114 175.900 -0.025 0.000 1.139 1135 Y CA 0.092 58.204 58.100 0.020 0.000 1.296 1135 Y CB -0.674 37.689 38.460 -0.163 0.000 1.045 1135 Y HN 0.088 nan 8.280 nan 0.000 0.538 1136 A N 0.369 123.350 122.820 0.269 0.000 1.954 1136 A HA -0.337 3.983 4.320 -0.000 0.000 0.222 1136 A C 2.175 179.871 177.584 0.186 0.000 1.199 1136 A CA 2.505 54.727 52.037 0.308 0.000 0.657 1136 A CB -0.723 18.381 19.000 0.173 0.000 0.823 1136 A HN 0.488 nan 8.150 nan 0.000 0.463 1137 D N -1.341 119.092 120.400 0.055 0.000 2.162 1137 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 1137 D C 2.146 178.413 176.300 -0.054 0.000 0.967 1137 D CA 0.717 54.712 54.000 -0.007 0.000 0.840 1137 D CB -0.106 40.668 40.800 -0.044 0.000 0.972 1137 D HN 0.464 nan 8.370 nan 0.000 0.482 1138 R N -0.589 119.816 120.500 -0.158 0.000 2.189 1138 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 1138 R C 2.226 178.238 176.300 -0.481 0.000 1.092 1138 R CA 0.271 56.127 56.100 -0.405 0.000 0.989 1138 R CB -0.234 29.700 30.300 -0.610 0.000 0.876 1138 R HN 0.275 nan 8.270 nan 0.000 0.457 1139 F N 1.292 121.146 119.950 -0.159 0.000 2.408 1139 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 1139 F C 1.903 177.767 175.800 0.107 0.000 1.090 1139 F CA 0.547 58.547 58.000 0.000 0.000 1.427 1139 F CB 0.219 39.220 39.000 0.002 0.000 1.070 1139 F HN -0.153 nan 8.300 nan 0.000 0.549 1140 K N 0.495 121.039 120.400 0.239 0.000 2.439 1140 K HA -0.035 4.285 4.320 -0.000 0.000 0.197 1140 K C 1.747 178.498 176.600 0.253 0.000 1.041 1140 K CA 0.624 57.075 56.287 0.272 0.000 0.970 1140 K CB -0.550 32.062 32.500 0.187 0.000 0.773 1140 K HN 0.399 nan 8.250 nan 0.000 0.479 1141 L N -0.284 121.047 121.223 0.180 0.000 2.362 1141 L HA -0.141 4.199 4.340 -0.000 0.000 0.219 1141 L C 1.815 178.805 176.870 0.200 0.000 1.134 1141 L CA 0.783 55.697 54.840 0.122 0.000 0.807 1141 L CB -0.560 41.480 42.059 -0.032 0.000 0.927 1141 L HN 0.044 nan 8.230 nan 0.000 0.447 1142 Y N 0.396 120.791 120.300 0.159 0.000 2.293 1142 Y HA -0.243 4.307 4.550 0.000 0.000 0.291 1142 Y C 3.036 179.054 175.900 0.197 0.000 1.137 1142 Y CA 1.320 59.544 58.100 0.205 0.000 1.202 1142 Y CB -0.623 37.957 38.460 0.199 0.000 0.990 1142 Y HN 0.297 nan 8.280 nan 0.000 0.537 1143 S N -0.475 115.396 115.700 0.285 0.000 2.440 1143 S HA -0.218 4.252 4.470 -0.000 0.000 0.238 1143 S C 2.186 176.854 174.600 0.113 0.000 1.010 1143 S CA 0.780 59.078 58.200 0.162 0.000 0.972 1143 S CB -0.706 62.548 63.200 0.091 0.000 0.774 1143 S HN 0.364 nan 8.310 nan 0.000 0.501 1144 A N 1.523 124.423 122.820 0.133 0.000 1.855 1144 A HA 0.118 4.438 4.320 -0.000 0.000 0.215 1144 A C 1.902 179.533 177.584 0.079 0.000 1.191 1144 A CA 1.262 53.348 52.037 0.081 0.000 0.613 1144 A CB -1.192 17.864 19.000 0.094 0.000 0.829 1144 A HN 0.521 nan 8.150 nan 0.000 0.442 1145 F N 0.772 120.721 119.950 -0.001 0.000 2.069 1145 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 1145 F C 2.548 178.380 175.800 0.054 0.000 1.113 1145 F CA 1.855 59.863 58.000 0.014 0.000 1.214 1145 F CB -0.696 38.283 39.000 -0.036 0.000 0.978 1145 F HN 0.316 nan 8.300 nan 0.000 0.474 1146 C N 0.405 119.829 119.300 0.207 0.000 2.403 1146 C HA -0.179 4.281 4.460 -0.000 0.000 0.279 1146 C C 3.108 178.092 174.990 -0.010 0.000 1.269 1146 C CA 1.057 60.136 59.018 0.101 0.000 1.774 1146 C CB -2.038 25.780 27.740 0.131 0.000 1.993 1146 C HN 0.634 nan 8.230 nan 0.000 0.496 1147 A N 1.170 123.921 122.820 -0.115 0.000 1.897 1147 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 1147 A C 2.290 179.708 177.584 -0.276 0.000 1.181 1147 A CA 2.055 53.861 52.037 -0.386 0.000 0.620 1147 A CB -0.770 17.794 19.000 -0.726 0.000 0.821 1147 A HN 0.682 nan 8.150 nan 0.000 0.443 1148 S N -1.148 114.425 115.700 -0.213 0.000 2.428 1148 S HA -0.180 4.290 4.470 -0.000 0.000 0.230 1148 S C 1.701 176.209 174.600 -0.153 0.000 1.014 1148 S CA 1.266 59.373 58.200 -0.156 0.000 0.957 1148 S CB -0.807 62.292 63.200 -0.168 0.000 0.784 1148 S HN 0.737 nan 8.310 nan 0.000 0.499 1149 H N 1.521 120.396 119.070 -0.325 0.000 2.518 1149 H HA -0.005 4.551 4.556 -0.000 0.000 0.292 1149 H C 1.718 176.987 175.328 -0.099 0.000 1.068 1149 H CA 1.724 57.606 56.048 -0.276 0.000 1.275 1149 H CB -0.428 29.163 29.762 -0.285 0.000 1.375 1149 H HN 0.403 nan 8.280 nan 0.000 0.563 1150 T N -0.102 114.502 114.554 0.085 0.000 2.833 1150 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 1150 T C 1.648 176.367 174.700 0.032 0.000 1.054 1150 T CA 1.516 63.676 62.100 0.101 0.000 1.135 1150 T CB -0.017 68.952 68.868 0.168 0.000 0.869 1150 T HN 0.271 nan 8.240 nan 0.000 0.466 1151 K N 0.541 120.935 120.400 -0.009 0.000 2.400 1151 K HA 0.222 4.542 4.320 -0.000 0.000 0.194 1151 K C 1.959 178.512 176.600 -0.079 0.000 1.033 1151 K CA 0.031 56.300 56.287 -0.030 0.000 1.021 1151 K CB -0.335 32.154 32.500 -0.019 0.000 0.808 1151 K HN 0.116 nan 8.250 nan 0.000 0.505 1152 V N 1.763 121.573 119.914 -0.173 0.000 2.252 1152 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 1152 V C -0.941 175.077 176.094 -0.128 0.000 1.056 1152 V CA 2.022 64.184 62.300 -0.230 0.000 1.022 1152 V CB -1.012 30.479 31.823 -0.553 0.000 0.641 1152 V HN 0.199 nan 8.190 nan 0.000 0.445 1153 P HA -0.229 nan 4.420 nan 0.000 0.213 1153 P C 1.767 179.063 177.300 -0.006 0.000 1.170 1153 P CA 1.745 64.827 63.100 -0.030 0.000 0.902 1153 P CB -0.106 31.592 31.700 -0.003 0.000 0.789 1154 K N -0.180 120.215 120.400 -0.008 0.000 2.113 1154 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 1154 K C 1.750 178.353 176.600 0.005 0.000 1.047 1154 K CA 1.538 57.825 56.287 0.000 0.000 0.928 1154 K CB -0.523 31.974 32.500 -0.005 0.000 0.716 1154 K HN -0.062 nan 8.250 nan 0.000 0.446 1155 V N 1.495 121.408 119.914 -0.003 0.000 2.323 1155 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 1155 V C 2.273 178.406 176.094 0.066 0.000 1.041 1155 V CA 1.451 63.754 62.300 0.004 0.000 1.025 1155 V CB -0.324 31.492 31.823 -0.010 0.000 0.656 1155 V HN 0.326 nan 8.190 nan 0.000 0.451 1156 L N 0.009 121.287 121.223 0.091 0.000 2.191 1156 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 1156 L C 1.961 178.931 176.870 0.165 0.000 1.103 1156 L CA 0.831 55.778 54.840 0.178 0.000 0.769 1156 L CB -0.477 41.638 42.059 0.092 0.000 0.908 1156 L HN 0.230 nan 8.230 nan 0.000 0.438 1157 V N 0.099 120.069 119.914 0.094 0.000 3.611 1157 V HA -0.136 3.985 4.120 -0.000 0.000 0.281 1157 V C 1.986 178.131 176.094 0.086 0.000 1.247 1157 V CA 0.952 63.297 62.300 0.074 0.000 1.198 1157 V CB -0.705 31.143 31.823 0.042 0.000 0.977 1157 V HN 0.388 nan 8.190 nan 0.000 0.445 1158 K N 0.599 121.080 120.400 0.136 0.000 2.334 1158 K HA 0.169 4.489 4.320 -0.000 0.000 0.195 1158 K C 2.111 178.851 176.600 0.233 0.000 1.045 1158 K CA 0.827 57.183 56.287 0.114 0.000 1.004 1158 K CB 0.093 32.600 32.500 0.013 0.000 0.837 1158 K HN 0.417 nan 8.250 nan 0.000 0.510 1159 A N 1.732 124.774 122.820 0.370 0.000 1.969 1159 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 1159 A C 1.706 179.343 177.584 0.088 0.000 1.169 1159 A CA 1.115 53.313 52.037 0.269 0.000 0.635 1159 A CB -0.214 18.753 19.000 -0.054 0.000 0.810 1159 A HN 0.121 nan 8.150 nan 0.000 0.445 1160 K N -0.310 120.134 120.400 0.073 0.000 2.360 1160 K HA -0.074 4.246 4.320 -0.000 0.000 0.201 1160 K C 1.579 178.199 176.600 0.034 0.000 1.046 1160 K CA 1.611 57.920 56.287 0.037 0.000 0.945 1160 K CB -0.408 32.113 32.500 0.035 0.000 0.750 1160 K HN 0.563 nan 8.250 nan 0.000 0.464 1161 T N 0.587 115.171 114.554 0.050 0.000 3.031 1161 T HA 0.009 4.359 4.350 -0.000 0.000 0.236 1161 T C 0.249 174.965 174.700 0.028 0.000 1.005 1161 T CA 0.195 62.315 62.100 0.033 0.000 1.230 1161 T CB 0.059 68.945 68.868 0.029 0.000 0.913 1161 T HN 0.085 nan 8.240 nan 0.000 0.419 1162 D N 3.169 123.591 120.400 0.038 0.000 2.359 1162 D HA 0.121 4.761 4.640 -0.000 0.000 0.250 1162 D C 1.372 177.664 176.300 -0.013 0.000 1.264 1162 D CA 0.151 54.157 54.000 0.008 0.000 0.911 1162 D CB 1.337 42.124 40.800 -0.020 0.000 1.056 1162 D HN 0.463 nan 8.370 nan 0.000 0.499 1163 T N 0.026 114.572 114.554 -0.013 0.000 2.721 1163 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 1163 T C 1.914 176.585 174.700 -0.049 0.000 1.038 1163 T CA 1.224 63.312 62.100 -0.020 0.000 1.145 1163 T CB 0.000 68.868 68.868 0.000 0.000 0.858 1163 T HN 0.338 nan 8.240 nan 0.000 0.459 1164 A N 1.265 124.045 122.820 -0.066 0.000 1.865 1164 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 1164 A C 2.071 179.388 177.584 -0.444 0.000 1.191 1164 A CA 1.714 53.693 52.037 -0.097 0.000 0.623 1164 A CB -1.220 17.797 19.000 0.027 0.000 0.826 1164 A HN 0.509 nan 8.150 nan 0.000 0.444 1165 F N 1.141 120.500 119.950 -0.985 0.000 2.051 1165 F HA -0.159 4.368 4.527 0.000 0.000 0.296 1165 F C 2.163 177.787 175.800 -0.295 0.000 1.122 1165 F CA 2.316 59.650 58.000 -1.110 0.000 1.201 1165 F CB -0.582 38.003 39.000 -0.692 0.000 0.978 1165 F HN 0.216 nan 8.300 nan 0.000 0.472 1166 K N 1.053 121.271 120.400 -0.304 0.000 2.127 1166 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 1166 K C 2.034 178.531 176.600 -0.173 0.000 1.047 1166 K CA 1.816 57.940 56.287 -0.273 0.000 0.927 1166 K CB -1.054 31.375 32.500 -0.120 0.000 0.716 1166 K HN 0.332 nan 8.250 nan 0.000 0.450 1167 A N 0.031 122.800 122.820 -0.085 0.000 1.858 1167 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 1167 A C 2.200 179.821 177.584 0.063 0.000 1.190 1167 A CA 1.641 53.683 52.037 0.008 0.000 0.617 1167 A CB -1.032 18.010 19.000 0.070 0.000 0.827 1167 A HN 0.486 nan 8.150 nan 0.000 0.443 1168 F N 0.801 120.762 119.950 0.017 0.000 2.065 1168 F HA -0.205 4.322 4.527 0.000 0.000 0.298 1168 F C 1.977 177.779 175.800 0.003 0.000 1.112 1168 F CA 1.883 59.965 58.000 0.138 0.000 1.212 1168 F CB -0.475 38.842 39.000 0.528 0.000 0.975 1168 F HN 0.156 nan 8.300 nan 0.000 0.476 1169 L N -0.032 121.080 121.223 -0.185 0.000 1.989 1169 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 1169 L C 2.339 179.093 176.870 -0.193 0.000 1.071 1169 L CA 1.798 56.505 54.840 -0.222 0.000 0.749 1169 L CB -1.027 40.900 42.059 -0.220 0.000 0.890 1169 L HN 0.160 nan 8.230 nan 0.000 0.431 1170 D N 0.261 120.574 120.400 -0.145 0.000 2.123 1170 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 1170 D C 2.207 178.427 176.300 -0.134 0.000 0.992 1170 D CA 1.594 55.535 54.000 -0.098 0.000 0.833 1170 D CB -0.039 40.722 40.800 -0.065 0.000 0.954 1170 D HN 0.358 nan 8.370 nan 0.000 0.455 1171 A N 1.202 123.918 122.820 -0.173 0.000 1.940 1171 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 1171 A C 2.070 179.488 177.584 -0.277 0.000 1.176 1171 A CA 1.376 53.303 52.037 -0.183 0.000 0.631 1171 A CB -0.338 18.572 19.000 -0.151 0.000 0.814 1171 A HN 0.103 nan 8.150 nan 0.000 0.446 1172 Q N -0.549 118.972 119.800 -0.465 0.000 2.378 1172 Q HA -0.008 4.332 4.340 -0.000 0.000 0.205 1172 Q C 0.526 176.303 176.000 -0.372 0.000 0.954 1172 Q CA 0.644 56.095 55.803 -0.586 0.000 0.901 1172 Q CB -0.483 27.583 28.738 -1.120 0.000 0.981 1172 Q HN 0.842 nan 8.270 nan 0.000 0.483 1173 N N 1.487 120.073 118.700 -0.189 0.000 3.012 1173 N HA 0.098 4.838 4.740 -0.000 0.000 0.270 1173 N C -1.856 173.632 175.510 -0.037 0.000 1.469 1173 N CA -1.477 51.553 53.050 -0.033 0.000 0.928 1173 N CB 1.051 39.581 38.487 0.072 0.000 1.219 1173 N HN -0.133 nan 8.380 nan 0.000 0.492 1174 P HA -0.193 nan 4.420 nan 0.000 0.214 1174 P C 0.666 177.958 177.300 -0.012 0.000 1.163 1174 P CA 1.158 64.236 63.100 -0.036 0.000 0.883 1174 P CB 0.161 31.837 31.700 -0.040 0.000 0.788 1175 R N -0.533 119.968 120.500 0.001 0.000 2.371 1175 R HA -0.079 4.261 4.340 -0.000 0.000 0.226 1175 R C 0.890 177.200 176.300 0.016 0.000 1.132 1175 R CA 0.384 56.490 56.100 0.011 0.000 1.027 1175 R CB -0.727 29.586 30.300 0.021 0.000 0.848 1175 R HN 0.237 nan 8.270 nan 0.000 0.479 1176 Q N 0.489 120.298 119.800 0.015 0.000 2.457 1176 Q HA -0.207 4.133 4.340 -0.000 0.000 0.283 1176 Q C -0.905 175.117 176.000 0.037 0.000 1.234 1176 Q CA 1.052 56.868 55.803 0.021 0.000 0.877 1176 Q CB -1.070 27.675 28.738 0.013 0.000 1.250 1176 Q HN 0.339 nan 8.270 nan 0.000 0.481 1177 Q N -1.022 118.805 119.800 0.045 0.000 2.325 1177 Q HA 0.220 4.560 4.340 -0.000 0.000 0.262 1177 Q C 0.639 176.681 176.000 0.070 0.000 0.968 1177 Q CA -0.157 55.680 55.803 0.057 0.000 0.877 1177 Q CB 1.054 29.816 28.738 0.041 0.000 1.253 1177 Q HN 0.326 nan 8.270 nan 0.000 0.448 1178 H N 1.652 120.721 119.070 -0.001 0.000 2.319 1178 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 1178 H C 1.472 176.783 175.328 -0.028 0.000 1.097 1178 H CA 2.552 58.595 56.048 -0.009 0.000 1.285 1178 H CB 0.330 30.084 29.762 -0.014 0.000 1.368 1178 H HN 0.652 nan 8.280 nan 0.000 0.495 1179 S N -1.366 114.302 115.700 -0.054 0.000 2.571 1179 S HA -0.069 4.401 4.470 -0.000 0.000 0.245 1179 S C 1.496 175.956 174.600 -0.233 0.000 0.976 1179 S CA 0.987 59.094 58.200 -0.155 0.000 0.954 1179 S CB -0.102 63.062 63.200 -0.059 0.000 0.756 1179 S HN 0.365 nan 8.310 nan 0.000 0.535 1180 S N 1.052 116.678 115.700 -0.123 0.000 2.701 1180 S HA 0.192 4.662 4.470 -0.000 0.000 0.242 1180 S C 0.727 175.428 174.600 0.168 0.000 1.025 1180 S CA -0.018 58.199 58.200 0.029 0.000 1.016 1180 S CB 0.538 63.812 63.200 0.124 0.000 0.977 1180 S HN 0.840 nan 8.310 nan 0.000 0.546 1181 T N 0.371 114.903 114.554 -0.037 0.000 2.726 1181 T HA 0.340 4.690 4.350 -0.000 0.000 0.294 1181 T C 1.196 175.815 174.700 -0.135 0.000 1.013 1181 T CA -0.531 61.549 62.100 -0.034 0.000 0.996 1181 T CB 0.400 69.179 68.868 -0.148 0.000 1.016 1181 T HN -0.019 nan 8.240 nan 0.000 0.529 1182 L N 0.708 121.720 121.223 -0.352 0.000 2.093 1182 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 1182 L C 2.405 179.154 176.870 -0.200 0.000 1.085 1182 L CA 1.785 56.277 54.840 -0.579 0.000 0.755 1182 L CB -1.264 40.471 42.059 -0.541 0.000 0.904 1182 L HN 0.791 nan 8.230 nan 0.000 0.435 1183 E N -1.019 119.099 120.200 -0.137 0.000 2.153 1183 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 1183 E C 2.368 178.938 176.600 -0.052 0.000 0.988 1183 E CA 1.244 57.608 56.400 -0.060 0.000 0.811 1183 E CB -0.523 29.155 29.700 -0.037 0.000 0.746 1183 E HN 0.474 nan 8.360 nan 0.000 0.466 1184 S N -1.045 114.549 115.700 -0.177 0.000 2.402 1184 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 1184 S C 1.573 176.059 174.600 -0.189 0.000 1.021 1184 S CA 0.761 58.821 58.200 -0.234 0.000 0.974 1184 S CB -0.173 62.780 63.200 -0.411 0.000 0.800 1184 S HN 0.326 nan 8.310 nan 0.000 0.484 1185 Y N 1.320 121.573 120.300 -0.078 0.000 2.176 1185 Y HA 0.210 4.760 4.550 0.000 0.000 0.291 1185 Y C 1.995 177.939 175.900 0.074 0.000 1.122 1185 Y CA 0.876 58.964 58.100 -0.021 0.000 1.128 1185 Y CB -0.239 38.170 38.460 -0.083 0.000 1.005 1185 Y HN 0.146 nan 8.280 nan 0.000 0.509 1186 L N -0.227 121.157 121.223 0.268 0.000 2.651 1186 L HA -0.178 4.162 4.340 -0.000 0.000 0.236 1186 L C 1.611 178.834 176.870 0.588 0.000 1.173 1186 L CA 0.763 55.856 54.840 0.421 0.000 0.843 1186 L CB -0.305 41.906 42.059 0.254 0.000 0.964 1186 L HN 0.334 nan 8.230 nan 0.000 0.454 1187 I N -1.228 119.553 120.570 0.351 0.000 4.035 1187 I HA -0.049 4.121 4.170 -0.000 0.000 0.321 1187 I C 2.100 178.301 176.117 0.141 0.000 1.289 1187 I CA 0.708 62.150 61.300 0.236 0.000 1.236 1187 I CB -0.015 38.069 38.000 0.141 0.000 1.076 1187 I HN -0.022 nan 8.210 nan 0.000 0.418 1188 K N 1.145 121.635 120.400 0.150 0.000 2.044 1188 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 1188 K C -0.579 176.106 176.600 0.141 0.000 1.049 1188 K CA 2.039 58.407 56.287 0.136 0.000 0.927 1188 K CB -1.473 31.164 32.500 0.229 0.000 0.713 1188 K HN 0.318 nan 8.250 nan 0.000 0.443 1189 P HA -0.162 nan 4.420 nan 0.000 0.215 1189 P C 1.227 178.651 177.300 0.205 0.000 1.157 1189 P CA 1.248 64.469 63.100 0.202 0.000 0.868 1189 P CB -0.003 31.448 31.700 -0.415 0.000 0.788 1190 I N -1.057 119.611 120.570 0.162 0.000 2.454 1190 I HA -0.260 3.910 4.170 -0.000 0.000 0.254 1190 I C 2.270 178.379 176.117 -0.014 0.000 1.156 1190 I CA 1.471 62.842 61.300 0.118 0.000 1.433 1190 I CB -0.607 37.419 38.000 0.044 0.000 1.082 1190 I HN 0.076 nan 8.210 nan 0.000 0.432 1191 Q N 0.004 119.769 119.800 -0.060 0.000 2.123 1191 Q HA -0.128 4.212 4.340 -0.000 0.000 0.196 1191 Q C 2.265 178.104 176.000 -0.269 0.000 0.958 1191 Q CA 0.586 56.309 55.803 -0.134 0.000 0.841 1191 Q CB -0.140 28.534 28.738 -0.107 0.000 0.915 1191 Q HN 0.208 nan 8.270 nan 0.000 0.455 1192 R N 1.504 121.775 120.500 -0.382 0.000 2.094 1192 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 1192 R C 2.224 178.006 176.300 -0.864 0.000 1.137 1192 R CA 2.085 57.761 56.100 -0.707 0.000 0.943 1192 R CB -1.130 28.473 30.300 -1.162 0.000 0.850 1192 R HN 0.294 nan 8.270 nan 0.000 0.433 1193 V N -1.126 118.416 119.914 -0.620 0.000 2.282 1193 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 1193 V C 2.033 177.879 176.094 -0.414 0.000 1.057 1193 V CA 1.739 63.696 62.300 -0.573 0.000 1.032 1193 V CB -0.906 30.556 31.823 -0.603 0.000 0.645 1193 V HN 0.145 nan 8.190 nan 0.000 0.447 1194 L N -0.168 120.863 121.223 -0.320 0.000 2.549 1194 L HA 0.034 4.374 4.340 -0.000 0.000 0.229 1194 L C 2.395 179.121 176.870 -0.239 0.000 1.158 1194 L CA 1.326 56.032 54.840 -0.224 0.000 0.842 1194 L CB -1.251 40.716 42.059 -0.154 0.000 0.952 1194 L HN 0.367 nan 8.230 nan 0.000 0.452 1195 K N -1.570 118.610 120.400 -0.367 0.000 2.186 1195 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 1195 K C 2.140 178.595 176.600 -0.243 0.000 1.052 1195 K CA 0.755 56.851 56.287 -0.318 0.000 0.965 1195 K CB -0.315 31.949 32.500 -0.393 0.000 0.746 1195 K HN 0.297 nan 8.250 nan 0.000 0.457 1196 Y N 2.163 122.340 120.300 -0.205 0.000 2.069 1196 Y HA -0.225 4.325 4.550 -0.000 0.000 0.278 1196 Y C -0.376 175.339 175.900 -0.309 0.000 1.175 1196 Y CA 1.377 59.333 58.100 -0.239 0.000 1.134 1196 Y CB -1.528 36.754 38.460 -0.297 0.000 0.965 1196 Y HN 0.148 nan 8.280 nan 0.000 0.498 1197 P HA -0.185 nan 4.420 nan 0.000 0.218 1197 P C 1.378 178.598 177.300 -0.134 0.000 1.148 1197 P CA 1.597 64.593 63.100 -0.173 0.000 0.822 1197 P CB -0.152 31.457 31.700 -0.151 0.000 0.784 1198 L N -0.993 120.169 121.223 -0.103 0.000 2.017 1198 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 1198 L C 2.911 179.750 176.870 -0.052 0.000 1.073 1198 L CA 1.328 56.124 54.840 -0.073 0.000 0.745 1198 L CB -1.099 40.916 42.059 -0.073 0.000 0.894 1198 L HN -0.094 nan 8.230 nan 0.000 0.432 1199 L N -0.495 120.702 121.223 -0.042 0.000 2.083 1199 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 1199 L C 2.540 179.398 176.870 -0.020 0.000 1.083 1199 L CA 1.161 55.998 54.840 -0.005 0.000 0.752 1199 L CB -0.411 41.683 42.059 0.058 0.000 0.899 1199 L HN 0.273 nan 8.230 nan 0.000 0.433 1200 L N -0.787 120.380 121.223 -0.094 0.000 2.056 1200 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 1200 L C 2.781 179.623 176.870 -0.046 0.000 1.078 1200 L CA 1.152 55.918 54.840 -0.123 0.000 0.749 1200 L CB -0.481 41.403 42.059 -0.292 0.000 0.901 1200 L HN 0.199 nan 8.230 nan 0.000 0.433 1201 R N -0.291 120.178 120.500 -0.051 0.000 2.152 1201 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 1201 R C 2.083 178.457 176.300 0.125 0.000 1.117 1201 R CA 0.797 56.920 56.100 0.039 0.000 0.981 1201 R CB -0.145 30.158 30.300 0.006 0.000 0.870 1201 R HN 0.381 nan 8.270 nan 0.000 0.451 1202 E N 0.834 121.070 120.200 0.059 0.000 2.072 1202 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 1202 E C 2.153 178.787 176.600 0.058 0.000 0.982 1202 E CA 0.808 57.238 56.400 0.050 0.000 0.803 1202 E CB -0.128 29.583 29.700 0.018 0.000 0.755 1202 E HN 0.322 nan 8.360 nan 0.000 0.453 1203 L N 0.127 121.387 121.223 0.062 0.000 2.083 1203 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 1203 L C 2.466 179.407 176.870 0.118 0.000 1.083 1203 L CA 0.903 55.777 54.840 0.057 0.000 0.752 1203 L CB -0.479 41.618 42.059 0.063 0.000 0.899 1203 L HN 0.047 nan 8.230 nan 0.000 0.433 1204 F N 1.247 121.181 119.950 -0.026 0.000 2.095 1204 F HA -0.252 4.275 4.527 0.000 0.000 0.298 1204 F C 2.424 178.269 175.800 0.074 0.000 1.104 1204 F CA 1.297 59.284 58.000 -0.022 0.000 1.232 1204 F CB -0.362 38.583 39.000 -0.092 0.000 0.987 1204 F HN 0.002 nan 8.300 nan 0.000 0.475 1205 A N -0.160 122.680 122.820 0.035 0.000 2.121 1205 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 1205 A C 2.008 179.548 177.584 -0.073 0.000 1.154 1205 A CA 1.223 53.222 52.037 -0.064 0.000 0.679 1205 A CB -0.976 18.030 19.000 0.010 0.000 0.795 1205 A HN 0.464 nan 8.150 nan 0.000 0.458 1206 L N 0.520 121.717 121.223 -0.043 0.000 2.611 1206 L HA 0.100 4.440 4.340 -0.000 0.000 0.229 1206 L C 0.543 177.382 176.870 -0.051 0.000 1.137 1206 L CA 0.302 55.109 54.840 -0.055 0.000 0.901 1206 L CB -0.275 41.745 42.059 -0.065 0.000 1.098 1206 L HN 0.437 nan 8.230 nan 0.000 0.456 1207 T N -4.519 110.012 114.554 -0.038 0.000 2.855 1207 T HA 0.262 4.612 4.350 -0.000 0.000 0.281 1207 T C -0.295 174.332 174.700 -0.121 0.000 1.007 1207 T CA -0.891 61.205 62.100 -0.007 0.000 1.009 1207 T CB 2.287 71.222 68.868 0.112 0.000 0.983 1207 T HN -0.104 nan 8.240 nan 0.000 0.455 1208 D N 1.655 121.979 120.400 -0.125 0.000 2.531 1208 D HA 0.113 4.753 4.640 -0.000 0.000 0.239 1208 D C 1.395 177.415 176.300 -0.466 0.000 1.144 1208 D CA 0.238 54.109 54.000 -0.216 0.000 0.869 1208 D CB 0.818 41.551 40.800 -0.111 0.000 1.160 1208 D HN 0.746 nan 8.370 nan 0.000 0.484 1209 A N 4.617 127.059 122.820 -0.629 0.000 2.186 1209 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 1209 A C 1.581 178.929 177.584 -0.393 0.000 1.159 1209 A CA 1.127 52.620 52.037 -0.906 0.000 0.680 1209 A CB -0.102 18.613 19.000 -0.476 0.000 0.787 1209 A HN 0.602 nan 8.150 nan 0.000 0.467 1210 E N 0.104 120.179 120.200 -0.208 0.000 2.489 1210 E HA 0.058 4.408 4.350 -0.000 0.000 0.204 1210 E C 0.818 177.410 176.600 -0.013 0.000 1.006 1210 E CA 0.598 56.957 56.400 -0.068 0.000 0.936 1210 E CB 0.025 29.690 29.700 -0.058 0.000 1.002 1210 E HN 0.677 nan 8.360 nan 0.000 0.488 1211 S N 0.708 116.402 115.700 -0.011 0.000 2.624 1211 S HA 0.178 4.648 4.470 -0.000 0.000 0.263 1211 S C 1.091 175.737 174.600 0.076 0.000 1.287 1211 S CA -0.509 57.710 58.200 0.031 0.000 0.990 1211 S CB 1.638 64.856 63.200 0.029 0.000 0.950 1211 S HN -0.144 nan 8.310 nan 0.000 0.561 1212 E N 0.876 121.076 120.200 0.000 0.000 2.112 1212 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 1212 E C 1.846 178.252 176.600 -0.324 0.000 0.979 1212 E CA 0.878 57.194 56.400 -0.141 0.000 0.814 1212 E CB -0.410 29.173 29.700 -0.195 0.000 0.762 1212 E HN 0.731 nan 8.360 nan 0.000 0.460 1213 E N 0.173 120.310 120.200 -0.105 0.000 2.097 1213 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 1213 E C 1.936 178.617 176.600 0.136 0.000 1.000 1213 E CA 1.446 57.873 56.400 0.046 0.000 0.804 1213 E CB -0.518 29.259 29.700 0.127 0.000 0.740 1213 E HN 0.363 nan 8.360 nan 0.000 0.454 1214 H N -0.890 118.221 119.070 0.069 0.000 2.253 1214 H HA -0.197 4.359 4.556 0.000 0.000 0.296 1214 H C 1.949 177.463 175.328 0.309 0.000 1.074 1214 H CA 2.097 58.241 56.048 0.160 0.000 1.263 1214 H CB -0.586 29.204 29.762 0.047 0.000 1.363 1214 H HN 0.272 nan 8.280 nan 0.000 0.489 1215 Y N 0.725 121.135 120.300 0.183 0.000 2.151 1215 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 1215 Y C 2.418 178.419 175.900 0.169 0.000 1.166 1215 Y CA 2.400 60.585 58.100 0.143 0.000 1.163 1215 Y CB -0.832 37.701 38.460 0.123 0.000 0.974 1215 Y HN 0.498 nan 8.280 nan 0.000 0.511 1216 H N -0.719 118.285 119.070 -0.108 0.000 2.293 1216 H HA -0.179 4.377 4.556 0.000 0.000 0.300 1216 H C 2.359 177.543 175.328 -0.239 0.000 1.082 1216 H CA 1.340 57.250 56.048 -0.230 0.000 1.308 1216 H CB -0.316 29.442 29.762 -0.008 0.000 1.375 1216 H HN 0.308 nan 8.280 nan 0.000 0.495 1217 L N 0.427 121.671 121.223 0.034 0.000 2.043 1217 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 1217 L C 2.316 179.015 176.870 -0.285 0.000 1.075 1217 L CA 1.507 56.316 54.840 -0.051 0.000 0.752 1217 L CB -0.359 41.770 42.059 0.117 0.000 0.891 1217 L HN 0.319 nan 8.230 nan 0.000 0.432 1218 D N -0.430 119.741 120.400 -0.381 0.000 2.158 1218 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 1218 D C 2.034 178.088 176.300 -0.410 0.000 0.995 1218 D CA 1.087 54.736 54.000 -0.585 0.000 0.846 1218 D CB 0.153 40.731 40.800 -0.372 0.000 0.941 1218 D HN 0.062 nan 8.370 nan 0.000 0.456 1219 V N 0.490 120.167 119.914 -0.395 0.000 2.307 1219 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 1219 V C 2.579 178.528 176.094 -0.242 0.000 1.045 1219 V CA 1.654 63.757 62.300 -0.328 0.000 1.024 1219 V CB -0.933 30.652 31.823 -0.396 0.000 0.651 1219 V HN 0.331 nan 8.190 nan 0.000 0.449 1220 A N -0.075 122.608 122.820 -0.228 0.000 1.940 1220 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 1220 A C 2.191 179.635 177.584 -0.233 0.000 1.176 1220 A CA 1.967 53.899 52.037 -0.175 0.000 0.631 1220 A CB -0.529 18.391 19.000 -0.133 0.000 0.814 1220 A HN 0.510 nan 8.150 nan 0.000 0.446 1221 I N -0.998 119.394 120.570 -0.298 0.000 2.133 1221 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 1221 I C 2.444 178.421 176.117 -0.233 0.000 1.074 1221 I CA 1.636 62.751 61.300 -0.309 0.000 1.342 1221 I CB -0.291 37.462 38.000 -0.412 0.000 1.053 1221 I HN 0.134 nan 8.210 nan 0.000 0.404 1222 K N 0.635 120.902 120.400 -0.221 0.000 2.127 1222 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 1222 K C 1.049 177.582 176.600 -0.112 0.000 1.047 1222 K CA 0.962 57.158 56.287 -0.151 0.000 0.927 1222 K CB -0.835 31.586 32.500 -0.132 0.000 0.716 1222 K HN 0.328 nan 8.250 nan 0.000 0.450 1226 K N 1.520 121.905 120.400 -0.025 0.000 2.103 1226 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 1226 K C 1.754 178.389 176.600 0.058 0.000 1.048 1226 K CA 1.543 57.839 56.287 0.014 0.000 0.930 1226 K CB 0.018 32.519 32.500 0.002 0.000 0.716 1226 K HN -0.053 nan 8.250 nan 0.000 0.444 1227 V N 1.513 121.450 119.914 0.039 0.000 2.255 1227 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 1227 V C 2.429 178.571 176.094 0.079 0.000 1.051 1227 V CA 2.144 64.492 62.300 0.081 0.000 1.018 1227 V CB -0.866 30.981 31.823 0.040 0.000 0.641 1227 V HN 0.380 nan 8.190 nan 0.000 0.445 1228 A N -0.520 122.301 122.820 0.001 0.000 1.865 1228 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 1228 A C 2.572 180.167 177.584 0.018 0.000 1.191 1228 A CA 2.523 54.550 52.037 -0.017 0.000 0.623 1228 A CB -1.097 17.869 19.000 -0.055 0.000 0.826 1228 A HN 0.479 nan 8.150 nan 0.000 0.444 1229 S N -1.500 114.216 115.700 0.027 0.000 2.383 1229 S HA -0.275 4.195 4.470 -0.000 0.000 0.229 1229 S C 1.990 176.631 174.600 0.069 0.000 1.030 1229 S CA 2.022 60.245 58.200 0.039 0.000 1.002 1229 S CB -0.521 62.702 63.200 0.038 0.000 0.829 1229 S HN 0.817 nan 8.310 nan 0.000 0.467 1230 H N 1.138 120.227 119.070 0.031 0.000 2.357 1230 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 1230 H C 1.914 177.282 175.328 0.066 0.000 1.082 1230 H CA 1.957 58.037 56.048 0.052 0.000 1.342 1230 H CB -0.347 29.446 29.762 0.052 0.000 1.389 1230 H HN 0.339 nan 8.280 nan 0.000 0.511 1231 I N 0.817 121.360 120.570 -0.045 0.000 2.208 1231 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 1231 I C 2.186 178.267 176.117 -0.060 0.000 1.097 1231 I CA 1.510 62.781 61.300 -0.047 0.000 1.363 1231 I CB -1.323 36.710 38.000 0.056 0.000 1.051 1231 I HN 0.392 nan 8.210 nan 0.000 0.413 1232 N N 0.792 119.474 118.700 -0.030 0.000 2.084 1232 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 1232 N C 1.073 176.570 175.510 -0.020 0.000 1.030 1232 N CA 0.876 53.919 53.050 -0.011 0.000 0.849 1232 N CB -0.017 38.471 38.487 0.001 0.000 1.012 1232 N HN 0.276 nan 8.380 nan 0.000 0.423 1236 K N 0.813 121.250 120.400 0.061 0.000 2.103 1236 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 1236 K C 1.653 178.299 176.600 0.077 0.000 1.048 1236 K CA 1.754 58.073 56.287 0.053 0.000 0.930 1236 K CB -0.159 32.364 32.500 0.039 0.000 0.716 1236 K HN 0.379 nan 8.250 nan 0.000 0.444 1237 I N 0.174 120.807 120.570 0.105 0.000 2.202 1237 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 1237 I C 2.511 178.745 176.117 0.196 0.000 1.091 1237 I CA 1.480 62.897 61.300 0.194 0.000 1.368 1237 I CB -0.459 37.643 38.000 0.170 0.000 1.058 1237 I HN 0.340 nan 8.210 nan 0.000 0.410 1238 H N 1.312 120.438 119.070 0.092 0.000 2.387 1238 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 1238 H C 2.050 177.365 175.328 -0.022 0.000 1.099 1238 H CA 1.946 58.025 56.048 0.050 0.000 1.315 1238 H CB -0.020 29.787 29.762 0.074 0.000 1.380 1238 H HN 0.316 nan 8.280 nan 0.000 0.513 1239 E N -0.293 119.854 120.200 -0.087 0.000 2.077 1239 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 1239 E C 2.157 178.629 176.600 -0.214 0.000 0.989 1239 E CA 1.327 57.630 56.400 -0.162 0.000 0.800 1239 E CB -0.001 29.669 29.700 -0.049 0.000 0.746 1239 E HN 0.704 nan 8.360 nan 0.000 0.452 1240 E N -0.620 119.467 120.200 -0.188 0.000 2.122 1240 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 1240 E C 1.010 177.235 176.600 -0.625 0.000 0.977 1240 E CA 0.667 56.854 56.400 -0.355 0.000 0.820 1240 E CB 0.213 29.694 29.700 -0.364 0.000 0.770 1240 E HN 0.176 nan 8.360 nan 0.000 0.462 1241 F N -1.042 118.633 119.950 -0.459 0.000 2.728 1241 F HA 0.372 4.899 4.527 -0.000 0.000 0.314 1241 F C 1.894 177.005 175.800 -1.148 0.000 1.094 1241 F CA 0.113 57.575 58.000 -0.896 0.000 1.217 1241 F CB 0.289 38.442 39.000 -1.412 0.000 1.056 1241 F HN 0.067 nan 8.300 nan 0.000 0.577 1242 G N 1.028 109.433 108.800 -0.659 0.000 2.547 1242 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.221 1242 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.221 1242 G C 1.942 176.649 174.900 -0.322 0.000 1.140 1242 G CA 1.343 46.154 45.100 -0.481 0.000 0.760 1242 G HN 0.414 nan 8.290 nan 0.000 0.583 1243 A N 0.033 122.651 122.820 -0.337 0.000 1.849 1243 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 1243 A C 2.666 180.088 177.584 -0.270 0.000 1.202 1243 A CA 2.506 54.411 52.037 -0.220 0.000 0.629 1243 A CB -0.996 17.933 19.000 -0.117 0.000 0.834 1243 A HN 0.407 nan 8.150 nan 0.000 0.447 1244 V N -0.681 118.933 119.914 -0.500 0.000 2.287 1244 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 1244 V C 2.388 178.403 176.094 -0.131 0.000 1.053 1244 V CA 2.228 64.268 62.300 -0.434 0.000 1.027 1244 V CB -1.146 30.326 31.823 -0.584 0.000 0.646 1244 V HN 0.629 nan 8.190 nan 0.000 0.447 1245 F N 0.084 119.894 119.950 -0.233 0.000 2.154 1245 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 1245 F C 2.515 178.200 175.800 -0.191 0.000 1.087 1245 F CA 1.212 59.069 58.000 -0.239 0.000 1.274 1245 F CB -0.351 38.523 39.000 -0.209 0.000 1.009 1245 F HN 0.266 nan 8.300 nan 0.000 0.485 1246 D N -0.122 120.304 120.400 0.042 0.000 2.117 1246 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 1246 D C 2.270 178.546 176.300 -0.040 0.000 0.982 1246 D CA 0.874 54.872 54.000 -0.003 0.000 0.828 1246 D CB -0.407 40.391 40.800 -0.003 0.000 0.967 1246 D HN 0.267 nan 8.370 nan 0.000 0.464 1247 Q N 0.470 120.234 119.800 -0.061 0.000 2.135 1247 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 1247 Q C 2.632 178.587 176.000 -0.074 0.000 0.981 1247 Q CA 0.553 56.317 55.803 -0.066 0.000 0.856 1247 Q CB -0.369 28.322 28.738 -0.078 0.000 0.902 1247 Q HN 0.403 nan 8.270 nan 0.000 0.425 1248 L N -0.131 121.039 121.223 -0.087 0.000 2.056 1248 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 1248 L C 2.288 179.087 176.870 -0.119 0.000 1.078 1248 L CA 0.580 55.351 54.840 -0.116 0.000 0.749 1248 L CB -0.452 41.520 42.059 -0.145 0.000 0.901 1248 L HN 0.187 nan 8.230 nan 0.000 0.433 1249 I N 0.166 120.667 120.570 -0.115 0.000 2.142 1249 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 1249 I C 1.828 177.896 176.117 -0.082 0.000 1.078 1249 I CA 1.085 62.318 61.300 -0.112 0.000 1.343 1249 I CB -1.340 36.598 38.000 -0.103 0.000 1.046 1249 I HN 0.146 nan 8.210 nan 0.000 0.405 1250 A N -0.366 122.415 122.820 -0.065 0.000 2.260 1250 A HA 0.115 4.435 4.320 -0.000 0.000 0.278 1250 A C 1.362 178.914 177.584 -0.053 0.000 1.269 1250 A CA 0.419 52.424 52.037 -0.052 0.000 0.824 1250 A CB -0.003 18.971 19.000 -0.042 0.000 1.238 1250 A HN 0.499 nan 8.150 nan 0.000 0.507 1251 E N -1.818 118.356 120.200 -0.043 0.000 3.426 1251 E HA -0.288 4.062 4.350 -0.000 0.000 0.291 1251 E C 0.277 176.852 176.600 -0.042 0.000 0.898 1251 E CA 1.151 57.528 56.400 -0.040 0.000 0.970 1251 E CB -1.186 28.488 29.700 -0.043 0.000 1.489 1251 E HN 0.708 nan 8.360 nan 0.000 0.461 1252 Q N 1.426 121.197 119.800 -0.048 0.000 2.442 1252 Q HA 0.003 4.343 4.340 -0.000 0.000 0.244 1252 Q C -0.202 175.779 176.000 -0.031 0.000 1.302 1252 Q CA 0.889 56.663 55.803 -0.048 0.000 0.889 1252 Q CB -0.236 28.468 28.738 -0.055 0.000 1.578 1252 Q HN 0.331 nan 8.270 nan 0.000 0.526 1253 T N 1.252 115.792 114.554 -0.022 0.000 2.460 1253 T HA -0.214 4.136 4.350 -0.000 0.000 0.318 1253 T C 1.259 175.955 174.700 -0.007 0.000 1.178 1253 T CA 0.368 62.463 62.100 -0.008 0.000 3.928 1253 T CB -1.170 67.703 68.868 0.007 0.000 0.558 1253 T HN 0.991 nan 8.240 nan 0.000 0.199 1254 G N 1.872 110.666 108.800 -0.011 0.000 2.494 1254 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.252 1254 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.252 1254 G C 0.119 175.011 174.900 -0.013 0.000 1.025 1254 G CA 0.825 45.919 45.100 -0.010 0.000 0.638 1254 G HN 1.184 nan 8.290 nan 0.000 0.544 1255 E N 1.181 121.373 120.200 -0.013 0.000 2.459 1255 E HA 0.324 4.674 4.350 -0.000 0.000 0.264 1255 E C 0.762 177.349 176.600 -0.022 0.000 1.055 1255 E CA 0.459 56.849 56.400 -0.016 0.000 0.957 1255 E CB 0.212 29.902 29.700 -0.016 0.000 0.952 1255 E HN 0.440 nan 8.360 nan 0.000 0.448 1256 K N 3.775 124.161 120.400 -0.022 0.000 3.141 1256 K HA 0.143 4.463 4.320 -0.000 0.000 0.248 1256 K C -0.929 175.653 176.600 -0.031 0.000 1.282 1256 K CA -0.439 55.833 56.287 -0.026 0.000 1.251 1256 K CB 0.116 32.602 32.500 -0.023 0.000 1.533 1256 K HN 0.325 nan 8.250 nan 0.000 0.409 1257 K N 1.166 121.544 120.400 -0.036 0.000 5.420 1257 K HA -0.165 4.155 4.320 -0.000 0.000 0.407 1257 K C 0.450 177.024 176.600 -0.042 0.000 1.074 1257 K CA 0.277 56.538 56.287 -0.044 0.000 1.247 1257 K CB -0.930 31.543 32.500 -0.045 0.000 1.725 1257 K HN 0.419 nan 8.250 nan 0.000 0.408 1258 E N 1.144 121.318 120.200 -0.043 0.000 2.170 1258 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 1258 E C 1.317 177.888 176.600 -0.049 0.000 0.981 1258 E CA 1.453 57.831 56.400 -0.037 0.000 0.830 1258 E CB 0.470 30.154 29.700 -0.027 0.000 0.775 1258 E HN 0.332 nan 8.360 nan 0.000 0.470 1259 V N 0.443 120.316 119.914 -0.068 0.000 2.735 1259 V HA 0.244 4.364 4.120 -0.000 0.000 0.234 1259 V C 0.877 176.919 176.094 -0.087 0.000 1.121 1259 V CA 0.610 62.858 62.300 -0.087 0.000 1.160 1259 V CB -0.804 30.941 31.823 -0.129 0.000 0.908 1259 V HN 0.300 nan 8.190 nan 0.000 0.495 1260 A N 1.571 124.335 122.820 -0.093 0.000 2.203 1260 A HA -0.172 4.148 4.320 -0.000 0.000 0.279 1260 A C 0.134 177.666 177.584 -0.088 0.000 1.396 1260 A CA 1.414 53.401 52.037 -0.084 0.000 0.747 1260 A CB -1.646 17.317 19.000 -0.063 0.000 1.151 1260 A HN 1.042 nan 8.150 nan 0.000 0.345 1261 D N -1.004 119.322 120.400 -0.124 0.000 3.018 1261 D HA 0.150 4.790 4.640 -0.000 0.000 0.118 1261 D C -0.686 175.485 176.300 -0.215 0.000 0.909 1261 D CA -0.268 53.658 54.000 -0.124 0.000 1.752 1261 D CB -0.547 40.207 40.800 -0.076 0.000 1.961 1261 D HN 0.511 nan 8.370 nan 0.000 0.856 1262 L N 3.295 124.344 121.223 -0.289 0.000 2.784 1262 L HA 0.349 4.689 4.340 -0.000 0.000 0.241 1262 L C 0.863 177.603 176.870 -0.216 0.000 1.352 1262 L CA -0.532 53.941 54.840 -0.612 0.000 0.911 1262 L CB 0.529 41.965 42.059 -1.038 0.000 1.227 1262 L HN 0.464 nan 8.230 nan 0.000 0.501 1266 D N 0.679 121.162 120.400 0.139 0.000 2.501 1266 D HA 0.217 4.857 4.640 -0.000 0.000 0.224 1266 D C 0.207 176.536 176.300 0.047 0.000 1.202 1266 D CA -0.245 53.827 54.000 0.119 0.000 0.829 1266 D CB 1.611 42.505 40.800 0.157 0.000 1.023 1266 D HN 0.264 nan 8.370 nan 0.000 0.499 1267 L N 1.572 122.756 121.223 -0.066 0.000 2.325 1267 L HA 0.168 4.508 4.340 -0.000 0.000 0.284 1267 L C 0.854 177.653 176.870 -0.118 0.000 1.089 1267 L CA 0.112 54.726 54.840 -0.377 0.000 0.836 1267 L CB 0.373 42.205 42.059 -0.378 0.000 1.184 1267 L HN -0.090 nan 8.230 nan 0.000 0.444 1268 L N 5.291 126.437 121.223 -0.129 0.000 2.298 1268 L HA 0.263 4.603 4.340 -0.000 0.000 0.209 1268 L C 0.317 177.168 176.870 -0.032 0.000 1.084 1268 L CA 0.278 55.087 54.840 -0.052 0.000 0.816 1268 L CB -0.021 42.009 42.059 -0.048 0.000 0.967 1268 L HN 0.571 nan 8.230 nan 0.000 0.460 1269 L N -0.398 120.799 121.223 -0.044 0.000 2.612 1269 L HA 0.376 4.716 4.340 -0.000 0.000 0.256 1269 L C -1.897 174.960 176.870 -0.023 0.000 0.949 1269 L CA -0.757 54.061 54.840 -0.038 0.000 0.867 1269 L CB 2.102 44.143 42.059 -0.030 0.000 1.417 1269 L HN 0.184 nan 8.230 nan 0.000 0.414 1270 H N 0.492 119.508 119.070 -0.090 0.000 2.865 1270 H HA 0.899 5.455 4.556 -0.000 0.000 0.362 1270 H C -1.262 173.927 175.328 -0.233 0.000 1.114 1270 H CA 0.052 55.954 56.048 -0.243 0.000 1.208 1270 H CB 2.089 31.732 29.762 -0.199 0.000 1.727 1270 H HN 0.692 nan 8.280 nan 0.000 0.534 1271 T N -0.053 114.309 114.554 -0.320 0.000 2.792 1271 T HA 0.486 4.836 4.350 -0.000 0.000 0.303 1271 T C -0.876 173.658 174.700 -0.275 0.000 1.310 1271 T CA -1.036 60.903 62.100 -0.269 0.000 1.007 1271 T CB 1.389 70.105 68.868 -0.254 0.000 1.335 1271 T HN 0.674 nan 8.240 nan 0.000 0.504 1272 S N 0.007 115.600 115.700 -0.179 0.000 2.462 1272 S HA 0.755 5.225 4.470 -0.000 0.000 0.294 1272 S C -0.704 173.810 174.600 -0.143 0.000 1.144 1272 S CA -0.533 57.588 58.200 -0.132 0.000 1.088 1272 S CB 0.848 64.022 63.200 -0.044 0.000 1.009 1272 S HN 0.923 nan 8.310 nan 0.000 0.484 1273 V N 5.640 125.470 119.914 -0.139 0.000 3.130 1273 V HA 0.627 4.747 4.120 -0.000 0.000 0.310 1273 V C -1.144 174.941 176.094 -0.015 0.000 1.158 1273 V CA -1.006 61.219 62.300 -0.126 0.000 1.029 1273 V CB 2.176 33.843 31.823 -0.261 0.000 1.057 1273 V HN 0.916 nan 8.190 nan 0.000 0.436 1274 I N 3.308 123.896 120.570 0.031 0.000 2.336 1274 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 1274 I C -1.005 175.236 176.117 0.206 0.000 0.991 1274 I CA -0.334 61.038 61.300 0.120 0.000 1.227 1274 I CB 1.331 39.391 38.000 0.101 0.000 1.366 1274 I HN 0.687 nan 8.210 nan 0.000 0.466 1275 W N 8.033 129.357 121.300 0.041 0.000 2.497 1275 W HA 0.282 4.942 4.660 -0.000 0.000 0.354 1275 W C 0.365 176.907 176.519 0.037 0.000 1.111 1275 W CA -0.735 56.632 57.345 0.037 0.000 1.510 1275 W CB 0.191 29.654 29.460 0.006 0.000 1.466 1275 W HN 0.537 nan 8.180 nan 0.000 0.409 1276 L N 4.220 125.644 121.223 0.335 0.000 2.156 1276 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 1276 L C 1.557 178.442 176.870 0.024 0.000 1.095 1276 L CA 0.996 55.921 54.840 0.142 0.000 0.770 1276 L CB -0.349 41.793 42.059 0.139 0.000 0.914 1276 L HN 0.361 nan 8.230 nan 0.000 0.439 1277 N N -0.113 118.613 118.700 0.043 0.000 2.914 1277 N HA 0.222 4.962 4.740 -0.000 0.000 0.304 1277 N C -2.744 172.398 175.510 -0.613 0.000 1.727 1277 N CA -1.360 51.621 53.050 -0.116 0.000 0.986 1277 N CB 0.046 38.650 38.487 0.195 0.000 1.297 1277 N HN 0.093 nan 8.380 nan 0.000 0.490 1278 P HA 0.264 nan 4.420 nan 0.000 0.274 1278 P C -2.355 174.451 177.300 -0.822 0.000 1.246 1278 P CA -0.777 61.336 63.100 -1.645 0.000 0.795 1278 P CB 0.376 31.341 31.700 -1.225 0.000 1.006 1279 P HA -0.012 nan 4.420 nan 0.000 0.269 1279 P C 0.780 177.942 177.300 -0.231 0.000 1.217 1279 P CA -0.033 62.881 63.100 -0.310 0.000 0.783 1279 P CB 0.358 31.957 31.700 -0.167 0.000 0.898 1280 A N 2.293 125.034 122.820 -0.131 0.000 1.948 1280 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 1280 A C 2.365 179.925 177.584 -0.039 0.000 1.177 1280 A CA 2.267 54.250 52.037 -0.090 0.000 0.636 1280 A CB -1.594 17.373 19.000 -0.055 0.000 0.815 1280 A HN 0.611 nan 8.150 nan 0.000 0.449 1281 S N -0.530 115.170 115.700 0.000 0.000 2.359 1281 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 1281 S C 1.902 176.584 174.600 0.136 0.000 1.038 1281 S CA 1.666 59.919 58.200 0.087 0.000 1.051 1281 S CB -0.571 62.673 63.200 0.074 0.000 0.944 1281 S HN 0.560 nan 8.310 nan 0.000 0.433 1282 L N 2.053 123.277 121.223 0.001 0.000 1.988 1282 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 1282 L C 2.409 179.263 176.870 -0.027 0.000 1.071 1282 L CA 2.259 57.080 54.840 -0.032 0.000 0.744 1282 L CB -1.548 40.379 42.059 -0.220 0.000 0.893 1282 L HN 0.316 nan 8.230 nan 0.000 0.433 1283 G N -0.661 108.043 108.800 -0.159 0.000 2.503 1283 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.221 1283 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.221 1283 G C 1.483 176.318 174.900 -0.107 0.000 1.131 1283 G CA 1.088 46.094 45.100 -0.157 0.000 0.756 1283 G HN 0.354 nan 8.290 nan 0.000 0.572 1284 K N -0.872 119.460 120.400 -0.113 0.000 2.555 1284 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 1284 K C 1.267 177.596 176.600 -0.451 0.000 1.032 1284 K CA 0.361 56.494 56.287 -0.257 0.000 1.004 1284 K CB -0.136 32.196 32.500 -0.281 0.000 0.804 1284 K HN 0.683 nan 8.250 nan 0.000 0.496 1285 W N -0.488 120.779 121.300 -0.056 0.000 2.942 1285 W HA 0.272 4.932 4.660 -0.000 0.000 0.260 1285 W C 0.151 176.658 176.519 -0.020 0.000 1.101 1285 W CA -0.484 56.841 57.345 -0.033 0.000 1.436 1285 W CB 0.850 30.293 29.460 -0.029 0.000 0.883 1285 W HN -0.308 nan 8.180 nan 0.000 0.646 1286 K N 2.469 122.970 120.400 0.168 0.000 2.535 1286 K HA 0.088 4.408 4.320 -0.000 0.000 0.253 1286 K C 1.298 177.925 176.600 0.046 0.000 0.953 1286 K CA -0.317 56.041 56.287 0.119 0.000 0.863 1286 K CB 0.943 33.530 32.500 0.144 0.000 1.111 1286 K HN -0.293 nan 8.250 nan 0.000 0.431 1287 K N 3.457 123.877 120.400 0.033 0.000 2.049 1287 K HA -0.254 4.066 4.320 -0.000 0.000 0.219 1287 K C -0.280 176.326 176.600 0.011 0.000 1.056 1287 K CA 1.811 58.102 56.287 0.006 0.000 0.946 1287 K CB -0.422 32.087 32.500 0.015 0.000 0.723 1287 K HN 0.755 nan 8.250 nan 0.000 0.453 1288 E N 1.040 121.268 120.200 0.047 0.000 2.731 1288 E HA 0.431 4.781 4.350 -0.000 0.000 0.248 1288 E C -2.837 173.841 176.600 0.130 0.000 1.084 1288 E CA -2.384 54.058 56.400 0.070 0.000 0.776 1288 E CB 1.621 31.362 29.700 0.067 0.000 1.404 1288 E HN 0.001 nan 8.360 nan 0.000 0.395 1289 P HA -0.054 nan 4.420 nan 0.000 0.268 1289 P C -0.661 176.852 177.300 0.356 0.000 1.208 1289 P CA 0.103 63.368 63.100 0.276 0.000 0.777 1289 P CB 0.609 32.412 31.700 0.172 0.000 0.875 1290 E N 2.295 122.762 120.200 0.444 0.000 2.187 1290 E HA 0.454 4.804 4.350 -0.000 0.000 0.268 1290 E C -1.338 175.475 176.600 0.355 0.000 0.896 1290 E CA -0.576 56.009 56.400 0.308 0.000 0.766 1290 E CB 0.616 30.430 29.700 0.190 0.000 1.142 1290 E HN 0.300 nan 8.360 nan 0.000 0.408 1291 L N 2.346 123.690 121.223 0.202 0.000 2.319 1291 L HA 0.733 5.073 4.340 -0.000 0.000 0.267 1291 L C -0.361 176.514 176.870 0.007 0.000 1.011 1291 L CA -1.239 53.689 54.840 0.146 0.000 0.818 1291 L CB 1.959 44.001 42.059 -0.028 0.000 1.316 1291 L HN 0.641 nan 8.230 nan 0.000 0.432 1292 A N 1.415 124.240 122.820 0.009 0.000 2.276 1292 A HA 0.791 5.111 4.320 -0.000 0.000 0.316 1292 A C -0.317 177.023 177.584 -0.406 0.000 1.229 1292 A CA -0.377 51.525 52.037 -0.226 0.000 0.851 1292 A CB 0.960 19.864 19.000 -0.160 0.000 1.165 1292 A HN 0.721 nan 8.150 nan 0.000 0.513 1293 A N 2.196 124.652 122.820 -0.607 0.000 2.317 1293 A HA 0.822 5.142 4.320 -0.000 0.000 0.327 1293 A C -1.055 176.131 177.584 -0.665 0.000 1.178 1293 A CA -0.351 51.403 52.037 -0.472 0.000 0.817 1293 A CB 0.282 19.011 19.000 -0.452 0.000 1.189 1293 A HN 0.706 nan 8.150 nan 0.000 0.489 1294 F N 1.534 121.488 119.950 0.007 0.000 2.518 1294 F HA 0.469 4.996 4.527 -0.000 0.000 0.323 1294 F C -0.147 175.670 175.800 0.028 0.000 1.129 1294 F CA -0.814 57.175 58.000 -0.018 0.000 0.920 1294 F CB 2.357 41.363 39.000 0.011 0.000 1.160 1294 F HN 0.218 nan 8.300 nan 0.000 0.440 1295 V N 4.765 124.723 119.914 0.073 0.000 2.294 1295 V HA 0.330 4.450 4.120 -0.000 0.000 0.272 1295 V C -0.483 175.575 176.094 -0.060 0.000 1.027 1295 V CA -0.594 61.742 62.300 0.060 0.000 0.823 1295 V CB -0.076 31.757 31.823 0.018 0.000 1.030 1295 V HN 0.477 nan 8.190 nan 0.000 0.457 1296 F N 2.623 122.563 119.950 -0.017 0.000 2.399 1296 F HA 0.458 4.985 4.527 0.000 0.000 0.328 1296 F C 1.537 177.312 175.800 -0.042 0.000 1.084 1296 F CA -0.847 57.126 58.000 -0.046 0.000 1.053 1296 F CB 1.349 40.277 39.000 -0.119 0.000 1.209 1296 F HN 0.287 nan 8.300 nan 0.000 0.502 1297 K N -0.261 120.231 120.400 0.153 0.000 2.218 1297 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 1297 K C 1.478 178.117 176.600 0.065 0.000 1.046 1297 K CA 1.957 58.291 56.287 0.079 0.000 0.933 1297 K CB -0.286 32.249 32.500 0.059 0.000 0.728 1297 K HN 0.799 nan 8.250 nan 0.000 0.454 1298 T N -3.128 111.469 114.554 0.072 0.000 3.069 1298 T HA 0.507 4.857 4.350 -0.000 0.000 0.252 1298 T C 0.197 174.882 174.700 -0.024 0.000 1.053 1298 T CA 0.020 62.123 62.100 0.005 0.000 0.964 1298 T CB 0.653 69.497 68.868 -0.040 0.000 1.005 1298 T HN 0.162 nan 8.240 nan 0.000 0.532 1299 A N -0.091 122.740 122.820 0.018 0.000 2.489 1299 A HA 0.597 4.917 4.320 -0.000 0.000 0.293 1299 A C -1.861 175.763 177.584 0.066 0.000 1.004 1299 A CA -0.775 51.249 52.037 -0.023 0.000 0.626 1299 A CB 0.665 19.581 19.000 -0.139 0.000 1.345 1299 A HN 0.277 nan 8.150 nan 0.000 0.447 1300 V N 0.626 120.554 119.914 0.023 0.000 2.448 1300 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 1300 V C -0.479 175.644 176.094 0.048 0.000 1.025 1300 V CA -0.490 61.864 62.300 0.090 0.000 0.859 1300 V CB 1.487 33.349 31.823 0.065 0.000 0.988 1300 V HN 0.824 nan 8.190 nan 0.000 0.431 1301 V N 6.372 126.380 119.914 0.156 0.000 2.555 1301 V HA 0.558 4.678 4.120 -0.000 0.000 0.302 1301 V C -0.429 175.782 176.094 0.195 0.000 1.038 1301 V CA -0.590 61.782 62.300 0.119 0.000 0.887 1301 V CB 1.977 33.841 31.823 0.069 0.000 0.991 1301 V HN 0.627 nan 8.190 nan 0.000 0.434 1302 L N 4.989 126.266 121.223 0.091 0.000 2.349 1302 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 1302 L C -1.057 175.931 176.870 0.196 0.000 0.996 1302 L CA -0.674 54.215 54.840 0.082 0.000 0.825 1302 L CB 1.997 43.991 42.059 -0.109 0.000 1.243 1302 L HN 0.347 nan 8.230 nan 0.000 0.412 1303 V N 2.501 122.590 119.914 0.292 0.000 2.638 1303 V HA 0.318 4.438 4.120 -0.000 0.000 0.306 1303 V C -1.064 175.315 176.094 0.474 0.000 1.052 1303 V CA -0.751 61.770 62.300 0.368 0.000 0.885 1303 V CB 2.289 34.373 31.823 0.434 0.000 0.999 1303 V HN 0.468 nan 8.190 nan 0.000 0.424 1304 Y N 3.602 124.151 120.300 0.415 0.000 2.304 1304 Y HA 0.351 4.901 4.550 0.000 0.000 0.328 1304 Y C 1.242 177.371 175.900 0.381 0.000 1.123 1304 Y CA -0.286 58.054 58.100 0.399 0.000 1.218 1304 Y CB 1.227 39.967 38.460 0.467 0.000 1.207 1304 Y HN 0.783 nan 8.280 nan 0.000 0.495 1305 K N 2.751 122.881 120.400 -0.452 0.000 1.970 1305 K HA -0.216 4.104 4.320 -0.000 0.000 0.225 1305 K C -0.358 176.010 176.600 -0.388 0.000 1.045 1305 K CA 1.836 57.917 56.287 -0.343 0.000 1.002 1305 K CB -0.381 31.908 32.500 -0.352 0.000 0.743 1305 K HN 0.986 nan 8.250 nan 0.000 0.445 1306 D N -2.335 117.665 120.400 -0.667 0.000 9.066 1306 D HA -0.140 4.500 4.640 -0.000 0.000 0.283 1306 D C -0.105 176.135 176.300 -0.100 0.000 2.521 1306 D CA 1.675 55.576 54.000 -0.165 0.000 2.314 1306 D CB -0.795 40.114 40.800 0.182 0.000 0.974 1306 D HN 0.781 nan 8.370 nan 0.000 0.694 1307 G N 1.747 110.511 108.800 -0.061 0.000 2.155 1307 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.130 1307 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.130 1307 G C 0.816 175.681 174.900 -0.058 0.000 1.027 1307 G CA 0.617 45.671 45.100 -0.076 0.000 0.705 1307 G HN 1.375 nan 8.290 nan 0.000 0.496 1308 S N -0.560 115.117 115.700 -0.037 0.000 2.499 1308 S HA 0.235 4.705 4.470 -0.000 0.000 0.225 1308 S C 1.875 176.471 174.600 -0.006 0.000 1.050 1308 S CA 1.072 59.259 58.200 -0.021 0.000 0.928 1308 S CB 0.129 63.322 63.200 -0.012 0.000 0.803 1308 S HN 0.394 nan 8.310 nan 0.000 0.506 1309 K N 1.866 122.265 120.400 -0.001 0.000 2.021 1309 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 1309 K C 1.118 177.717 176.600 -0.002 0.000 1.047 1309 K CA 0.800 57.087 56.287 -0.001 0.000 0.943 1309 K CB -0.239 32.256 32.500 -0.009 0.000 0.725 1309 K HN 0.699 nan 8.250 nan 0.000 0.439 1310 Q N 2.095 121.892 119.800 -0.005 0.000 2.392 1310 Q HA 0.073 4.413 4.340 -0.000 0.000 0.262 1310 Q C -0.405 175.614 176.000 0.032 0.000 1.003 1310 Q CA -0.263 55.559 55.803 0.032 0.000 0.888 1310 Q CB 0.704 29.468 28.738 0.043 0.000 1.260 1310 Q HN -0.221 nan 8.270 nan 0.000 0.435 1311 K N 1.184 121.610 120.400 0.044 0.000 2.090 1311 K HA 0.079 4.399 4.320 -0.000 0.000 0.250 1311 K C -0.078 176.531 176.600 0.015 0.000 1.004 1311 K CA -0.566 55.730 56.287 0.015 0.000 0.919 1311 K CB 0.974 33.473 32.500 -0.001 0.000 1.045 1311 K HN 0.691 nan 8.250 nan 0.000 0.471 1312 K N 2.470 122.866 120.400 -0.006 0.000 3.025 1312 K HA 0.053 4.373 4.320 -0.000 0.000 0.260 1312 K C -0.451 176.135 176.600 -0.022 0.000 1.023 1312 K CA 0.109 56.388 56.287 -0.012 0.000 1.194 1312 K CB -0.571 31.916 32.500 -0.022 0.000 1.094 1312 K HN 0.499 nan 8.250 nan 0.000 0.460 1313 K N 0.140 120.520 120.400 -0.033 0.000 2.399 1313 K HA 0.560 4.880 4.320 -0.000 0.000 0.260 1313 K C -1.528 174.990 176.600 -0.137 0.000 1.049 1313 K CA -1.236 55.011 56.287 -0.067 0.000 0.890 1313 K CB 1.723 34.185 32.500 -0.064 0.000 1.430 1313 K HN 0.108 nan 8.250 nan 0.000 0.459 1314 L N 1.799 122.921 121.223 -0.169 0.000 2.596 1314 L HA 0.295 4.635 4.340 -0.000 0.000 0.265 1314 L C -0.730 176.016 176.870 -0.206 0.000 0.962 1314 L CA -0.570 54.096 54.840 -0.291 0.000 0.891 1314 L CB 1.963 43.861 42.059 -0.268 0.000 1.248 1314 L HN 0.779 nan 8.230 nan 0.000 0.410 1315 V N 0.785 120.570 119.914 -0.214 0.000 3.480 1315 V HA 0.697 4.817 4.120 -0.000 0.000 0.263 1315 V C 0.727 176.748 176.094 -0.123 0.000 1.442 1315 V CA 0.493 62.714 62.300 -0.132 0.000 1.053 1315 V CB 0.032 31.799 31.823 -0.093 0.000 0.846 1315 V HN 1.160 nan 8.190 nan 0.000 0.440 1316 G N 0.686 109.383 108.800 -0.173 0.000 2.731 1316 G HA2 0.066 4.026 3.960 -0.000 0.000 0.686 1316 G HA3 0.066 4.026 3.960 -0.000 0.000 0.686 1316 G C -0.314 174.555 174.900 -0.051 0.000 1.395 1316 G CA 0.116 45.148 45.100 -0.114 0.000 0.870 1316 G HN 1.567 nan 8.290 nan 0.000 0.591 1317 S N 1.221 116.915 115.700 -0.010 0.000 2.496 1317 S HA 0.560 5.030 4.470 -0.000 0.000 0.221 1317 S C 0.478 175.147 174.600 0.114 0.000 1.260 1317 S CA 0.937 59.160 58.200 0.038 0.000 1.181 1317 S CB 0.159 63.377 63.200 0.030 0.000 1.136 1317 S HN 2.441 nan 8.310 nan 0.000 0.467 1318 H N 3.764 122.828 119.070 -0.012 0.000 1.453 1318 H HA -0.236 4.320 4.556 -0.000 0.000 0.090 1318 H C 0.840 176.169 175.328 0.002 0.000 0.605 1318 H CA 2.785 58.830 56.048 -0.004 0.000 1.901 1318 H CB -0.502 29.259 29.762 -0.002 0.000 2.257 1318 H HN 0.544 nan 8.280 nan 0.000 0.961 1319 R N -0.411 119.984 120.500 -0.175 0.000 2.435 1319 R HA 0.251 4.591 4.340 -0.000 0.000 0.221 1319 R C 0.259 176.543 176.300 -0.026 0.000 0.885 1319 R CA 0.397 56.385 56.100 -0.186 0.000 1.018 1319 R CB 0.047 30.192 30.300 -0.257 0.000 1.259 1319 R HN 0.333 nan 8.270 nan 0.000 0.597 1320 L N 2.253 123.500 121.223 0.040 0.000 2.448 1320 L HA 0.263 4.603 4.340 -0.000 0.000 0.278 1320 L C -0.608 176.287 176.870 0.042 0.000 1.201 1320 L CA 0.291 55.152 54.840 0.034 0.000 1.036 1320 L CB 0.109 42.196 42.059 0.046 0.000 1.325 1320 L HN 0.009 nan 8.230 nan 0.000 0.441 1321 S N 4.727 120.457 115.700 0.049 0.000 2.277 1321 S HA 0.412 4.882 4.470 -0.000 0.000 0.230 1321 S C -1.089 173.612 174.600 0.168 0.000 0.893 1321 S CA -0.551 57.736 58.200 0.145 0.000 1.044 1321 S CB -0.096 63.142 63.200 0.063 0.000 1.252 1321 S HN 0.286 nan 8.310 nan 0.000 0.393 1322 I N 5.565 126.185 120.570 0.083 0.000 2.442 1322 I HA 0.396 4.566 4.170 -0.000 0.000 0.279 1322 I C -0.924 175.015 176.117 -0.297 0.000 1.081 1322 I CA -0.099 61.129 61.300 -0.120 0.000 1.197 1322 I CB 0.335 38.089 38.000 -0.411 0.000 1.394 1322 I HN 0.585 nan 8.210 nan 0.000 0.488 1323 Y N 2.876 123.130 120.300 -0.075 0.000 2.634 1323 Y HA 0.281 4.831 4.550 -0.000 0.000 0.292 1323 Y C 0.920 176.941 175.900 0.203 0.000 0.996 1323 Y CA -0.750 57.356 58.100 0.009 0.000 1.165 1323 Y CB 0.337 38.790 38.460 -0.011 0.000 1.194 1323 Y HN 0.465 nan 8.280 nan 0.000 0.585 1324 E N 2.418 122.930 120.200 0.521 0.000 2.261 1324 E HA 0.067 4.417 4.350 -0.000 0.000 0.308 1324 E C -0.407 176.389 176.600 0.327 0.000 1.400 1324 E CA 0.063 56.710 56.400 0.412 0.000 1.542 1324 E CB -0.166 29.755 29.700 0.369 0.000 1.369 1324 E HN 0.483 nan 8.360 nan 0.000 0.493 1325 E N 1.544 121.937 120.200 0.322 0.000 3.179 1325 E HA -0.201 4.149 4.350 -0.000 0.000 0.148 1325 E C -1.154 175.498 176.600 0.087 0.000 1.916 1325 E CA 0.498 57.000 56.400 0.169 0.000 0.709 1325 E CB -0.527 29.194 29.700 0.035 0.000 1.081 1325 E HN 0.613 nan 8.360 nan 0.000 0.351 1326 W N 3.003 124.297 121.300 -0.010 0.000 2.555 1326 W HA 0.270 4.930 4.660 -0.000 0.000 0.324 1326 W C -0.125 176.394 176.519 -0.001 0.000 0.973 1326 W CA 0.535 57.872 57.345 -0.013 0.000 1.481 1326 W CB 0.589 30.019 29.460 -0.050 0.000 1.064 1326 W HN 0.356 nan 8.180 nan 0.000 0.543 1327 D N 0.008 120.513 120.400 0.175 0.000 10.781 1327 D HA -0.167 4.473 4.640 -0.000 0.000 0.338 1327 D C -1.344 174.966 176.300 0.017 0.000 3.118 1327 D CA 1.046 55.093 54.000 0.078 0.000 2.702 1327 D CB -0.365 40.511 40.800 0.126 0.000 1.194 1327 D HN 0.067 nan 8.370 nan 0.000 0.935 1328 P HA -0.137 nan 4.420 nan 0.000 0.222 1328 P C 0.541 177.700 177.300 -0.235 0.000 1.147 1328 P CA 0.997 63.928 63.100 -0.281 0.000 0.790 1328 P CB 0.100 31.501 31.700 -0.497 0.000 0.780 1329 F N 0.224 120.209 119.950 0.057 0.000 2.399 1329 F HA 0.340 4.867 4.527 -0.000 0.000 0.342 1329 F C 1.850 177.755 175.800 0.175 0.000 1.106 1329 F CA -0.429 57.628 58.000 0.096 0.000 1.196 1329 F CB 0.396 39.431 39.000 0.058 0.000 1.163 1329 F HN -0.242 nan 8.300 nan 0.000 0.547 1330 R N 2.356 123.144 120.500 0.481 0.000 1.787 1330 R HA 0.357 4.697 4.340 -0.000 0.000 0.132 1330 R C -0.577 175.984 176.300 0.434 0.000 2.093 1330 R CA -0.279 56.097 56.100 0.461 0.000 1.747 1330 R CB -0.660 29.999 30.300 0.599 0.000 1.388 1330 R HN 0.392 nan 8.270 nan 0.000 0.484 1331 F N 2.447 122.645 119.950 0.414 0.000 2.471 1331 F HA 0.383 4.910 4.527 -0.000 0.000 0.353 1331 F C -0.046 175.923 175.800 0.283 0.000 1.113 1331 F CA 0.216 58.425 58.000 0.348 0.000 1.262 1331 F CB 0.544 39.779 39.000 0.392 0.000 1.146 1331 F HN 0.241 nan 8.300 nan 0.000 0.578 1332 R N 4.427 124.284 120.500 -1.073 0.000 2.566 1332 R HA 0.427 4.767 4.340 -0.000 0.000 0.271 1332 R C -2.098 173.713 176.300 -0.815 0.000 1.071 1332 R CA -0.652 55.042 56.100 -0.676 0.000 0.915 1332 R CB 1.206 31.346 30.300 -0.267 0.000 1.228 1332 R HN 0.954 nan 8.270 nan 0.000 0.449 1336 P HA 0.152 nan 4.420 nan 0.000 0.269 1336 P C 0.808 178.092 177.300 -0.028 0.000 1.209 1336 P CA 0.010 63.060 63.100 -0.084 0.000 0.776 1336 P CB 0.712 32.386 31.700 -0.043 0.000 0.876 1337 T N 0.296 114.842 114.554 -0.012 0.000 2.803 1337 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 1337 T C 1.341 176.058 174.700 0.028 0.000 1.052 1337 T CA 1.231 63.341 62.100 0.017 0.000 1.136 1337 T CB -0.441 68.441 68.868 0.022 0.000 0.864 1337 T HN 0.492 nan 8.240 nan 0.000 0.467 1338 E N 1.278 121.485 120.200 0.012 0.000 2.204 1338 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 1338 E C 1.716 178.340 176.600 0.039 0.000 0.990 1338 E CA 0.899 57.302 56.400 0.004 0.000 0.821 1338 E CB -0.154 29.546 29.700 -0.001 0.000 0.750 1338 E HN 0.564 nan 8.360 nan 0.000 0.477 1339 A N 0.586 123.459 122.820 0.089 0.000 2.589 1339 A HA 0.189 4.509 4.320 -0.000 0.000 0.283 1339 A C 0.336 178.038 177.584 0.196 0.000 1.187 1339 A CA -0.394 51.741 52.037 0.163 0.000 0.957 1339 A CB 0.423 19.589 19.000 0.277 0.000 1.175 1339 A HN 0.096 nan 8.150 nan 0.000 0.532 1340 L N 0.941 122.237 121.223 0.122 0.000 2.255 1340 L HA 0.469 4.809 4.340 -0.000 0.000 0.289 1340 L C -0.714 176.221 176.870 0.108 0.000 1.046 1340 L CA 0.234 55.139 54.840 0.109 0.000 0.816 1340 L CB 0.955 43.046 42.059 0.054 0.000 1.197 1340 L HN 0.475 nan 8.230 nan 0.000 0.427 1341 Q N 3.529 123.399 119.800 0.117 0.000 2.337 1341 Q HA 0.565 4.905 4.340 -0.000 0.000 0.266 1341 Q C -1.714 174.332 176.000 0.077 0.000 1.023 1341 Q CA -0.467 55.397 55.803 0.101 0.000 0.829 1341 Q CB 2.957 31.759 28.738 0.107 0.000 1.306 1341 Q HN 0.583 nan 8.270 nan 0.000 0.449 1342 V N 5.398 125.339 119.914 0.045 0.000 2.569 1342 V HA 0.665 4.785 4.120 -0.000 0.000 0.301 1342 V C -1.728 174.389 176.094 0.039 0.000 1.044 1342 V CA -0.577 61.726 62.300 0.004 0.000 0.874 1342 V CB 1.694 33.423 31.823 -0.157 0.000 1.002 1342 V HN 0.822 nan 8.190 nan 0.000 0.424 1343 R N 6.019 126.561 120.500 0.070 0.000 2.513 1343 R HA 0.770 5.110 4.340 -0.000 0.000 0.301 1343 R C -0.581 175.780 176.300 0.101 0.000 0.968 1343 R CA -0.364 55.792 56.100 0.094 0.000 0.872 1343 R CB 1.436 31.792 30.300 0.094 0.000 1.177 1343 R HN 0.894 nan 8.270 nan 0.000 0.444 1344 A N 5.792 128.674 122.820 0.103 0.000 2.395 1344 A HA 0.329 4.649 4.320 -0.000 0.000 0.286 1344 A C 0.528 178.168 177.584 0.094 0.000 1.193 1344 A CA -0.645 51.455 52.037 0.104 0.000 0.852 1344 A CB 0.106 19.167 19.000 0.102 0.000 1.118 1344 A HN 0.752 nan 8.150 nan 0.000 0.524 1345 L N 5.004 126.287 121.223 0.101 0.000 2.540 1345 L HA 0.138 4.478 4.340 -0.000 0.000 0.276 1345 L C -1.456 175.449 176.870 0.058 0.000 1.212 1345 L CA -0.994 53.895 54.840 0.082 0.000 0.893 1345 L CB 0.184 42.293 42.059 0.083 0.000 1.138 1345 L HN 0.572 nan 8.230 nan 0.000 0.491 1346 P HA 0.090 nan 4.420 nan 0.000 0.275 1346 P C -0.773 176.542 177.300 0.025 0.000 1.227 1346 P CA -0.262 62.858 63.100 0.034 0.000 0.781 1346 P CB 1.762 33.480 31.700 0.030 0.000 0.906 1347 S N 1.000 116.713 115.700 0.022 0.000 2.568 1347 S HA 0.561 5.031 4.470 -0.000 0.000 0.293 1347 S C 1.183 175.790 174.600 0.012 0.000 1.089 1347 S CA -0.131 58.078 58.200 0.016 0.000 0.945 1347 S CB 1.383 64.594 63.200 0.018 0.000 1.077 1347 S HN 0.446 nan 8.310 nan 0.000 0.485 1348 A N 2.519 125.344 122.820 0.008 0.000 1.851 1348 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 1348 A C 0.674 178.263 177.584 0.008 0.000 1.195 1348 A CA 1.931 53.972 52.037 0.006 0.000 0.622 1348 A CB -0.876 18.126 19.000 0.003 0.000 0.831 1348 A HN 0.837 nan 8.150 nan 0.000 0.444 1349 D N 0.125 120.530 120.400 0.008 0.000 3.168 1349 D HA 0.539 5.179 4.640 -0.000 0.000 0.255 1349 D C 0.372 176.679 176.300 0.012 0.000 1.314 1349 D CA 0.497 54.503 54.000 0.009 0.000 0.900 1349 D CB 0.222 41.027 40.800 0.008 0.000 1.072 1349 D HN 0.565 nan 8.370 nan 0.000 0.487 1350 A N 0.838 123.667 122.820 0.014 0.000 2.482 1350 A HA 0.144 4.464 4.320 -0.000 0.000 0.249 1350 A C 1.353 178.948 177.584 0.018 0.000 1.114 1350 A CA 0.316 52.364 52.037 0.018 0.000 0.797 1350 A CB 0.082 19.094 19.000 0.019 0.000 1.067 1350 A HN 0.588 nan 8.150 nan 0.000 0.514 1351 E N -2.814 117.399 120.200 0.021 0.000 3.916 1351 E HA -0.284 4.066 4.350 -0.000 0.000 0.331 1351 E C 0.668 177.280 176.600 0.019 0.000 0.729 1351 E CA 1.386 57.798 56.400 0.020 0.000 1.222 1351 E CB -1.565 28.144 29.700 0.016 0.000 1.633 1351 E HN 1.341 nan 8.360 nan 0.000 0.437 1352 A N -0.086 122.746 122.820 0.020 0.000 2.340 1352 A HA 0.231 4.551 4.320 -0.000 0.000 0.213 1352 A C 0.461 178.057 177.584 0.021 0.000 1.299 1352 A CA 0.430 52.478 52.037 0.018 0.000 0.994 1352 A CB 0.263 19.272 19.000 0.014 0.000 1.132 1352 A HN 0.233 nan 8.150 nan 0.000 0.519 1353 N N 0.706 119.420 118.700 0.025 0.000 2.492 1353 N HA 0.400 5.140 4.740 -0.000 0.000 0.260 1353 N C 0.270 175.802 175.510 0.036 0.000 1.215 1353 N CA 0.811 53.878 53.050 0.029 0.000 0.923 1353 N CB 0.992 39.498 38.487 0.031 0.000 1.092 1353 N HN 0.200 nan 8.380 nan 0.000 0.448 1354 A N 2.810 125.652 122.820 0.037 0.000 2.594 1354 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 1354 A C -0.485 177.131 177.584 0.053 0.000 1.227 1354 A CA -0.413 51.649 52.037 0.041 0.000 0.952 1354 A CB -0.026 18.991 19.000 0.027 0.000 1.161 1354 A HN 0.403 nan 8.150 nan 0.000 0.524 1355 V N 0.278 120.229 119.914 0.062 0.000 2.732 1355 V HA 0.625 4.745 4.120 -0.000 0.000 0.310 1355 V C 0.282 176.443 176.094 0.112 0.000 1.053 1355 V CA -0.270 62.080 62.300 0.083 0.000 0.957 1355 V CB 1.024 32.887 31.823 0.067 0.000 1.018 1355 V HN 0.867 nan 8.190 nan 0.000 0.452 1356 C N 2.007 121.399 119.300 0.152 0.000 3.259 1356 C HA 0.849 5.309 4.460 -0.000 0.000 0.344 1356 C C -1.214 173.909 174.990 0.222 0.000 1.401 1356 C CA -0.920 58.204 59.018 0.177 0.000 1.219 1356 C CB 1.460 29.313 27.740 0.188 0.000 1.521 1356 C HN 1.025 nan 8.230 nan 0.000 0.455 1357 E N 1.177 121.500 120.200 0.205 0.000 2.292 1357 E HA 0.725 5.075 4.350 -0.000 0.000 0.272 1357 E C -1.456 175.245 176.600 0.170 0.000 0.881 1357 E CA -0.699 55.818 56.400 0.195 0.000 0.754 1357 E CB 1.703 31.506 29.700 0.172 0.000 1.201 1357 E HN 0.570 nan 8.360 nan 0.000 0.425 1358 I N 2.768 123.468 120.570 0.216 0.000 2.353 1358 I HA 0.328 4.498 4.170 -0.000 0.000 0.293 1358 I C -0.311 175.974 176.117 0.280 0.000 0.992 1358 I CA -1.073 60.367 61.300 0.232 0.000 1.268 1358 I CB 1.434 39.584 38.000 0.250 0.000 1.387 1358 I HN 0.489 nan 8.210 nan 0.000 0.478 1359 V N 5.963 126.010 119.914 0.221 0.000 2.540 1359 V HA 0.286 4.406 4.120 -0.000 0.000 0.302 1359 V C -0.072 176.199 176.094 0.296 0.000 1.035 1359 V CA -0.725 61.702 62.300 0.211 0.000 0.873 1359 V CB 1.813 33.709 31.823 0.120 0.000 0.992 1359 V HN 0.673 nan 8.190 nan 0.000 0.428 1360 H N 4.462 123.659 119.070 0.213 0.000 2.746 1360 H HA 0.473 5.029 4.556 0.000 0.000 0.269 1360 H C 0.139 175.546 175.328 0.133 0.000 1.248 1360 H CA -0.868 55.318 56.048 0.231 0.000 1.258 1360 H CB 1.195 31.200 29.762 0.404 0.000 1.441 1360 H HN 0.717 nan 8.280 nan 0.000 0.508 1361 V N 2.828 122.860 119.914 0.196 0.000 3.083 1361 V HA -0.088 4.032 4.120 -0.000 0.000 0.303 1361 V C 0.570 176.639 176.094 -0.041 0.000 1.151 1361 V CA -0.257 62.083 62.300 0.067 0.000 1.275 1361 V CB 0.129 31.999 31.823 0.078 0.000 0.950 1361 V HN 0.768 nan 8.190 nan 0.000 0.506 1362 K N 2.615 122.994 120.400 -0.036 0.000 2.156 1362 K HA 0.493 4.813 4.320 -0.000 0.000 0.242 1362 K C 0.016 176.587 176.600 -0.048 0.000 1.033 1362 K CA -0.021 56.231 56.287 -0.058 0.000 0.878 1362 K CB 0.637 33.119 32.500 -0.031 0.000 1.057 1362 K HN 0.787 nan 8.250 nan 0.000 0.505 1363 S N -0.135 115.538 115.700 -0.045 0.000 2.737 1363 S HA 0.116 4.586 4.470 -0.000 0.000 0.269 1363 S C 0.059 174.647 174.600 -0.019 0.000 1.150 1363 S CA -0.744 57.438 58.200 -0.029 0.000 1.077 1363 S CB 1.011 64.191 63.200 -0.034 0.000 1.075 1363 S HN 0.757 nan 8.310 nan 0.000 0.476 1364 E N 1.893 122.086 120.200 -0.012 0.000 2.021 1364 E HA -0.112 4.238 4.350 -0.000 0.000 0.200 1364 E C 1.046 177.642 176.600 -0.007 0.000 1.015 1364 E CA 1.517 57.912 56.400 -0.008 0.000 0.824 1364 E CB -0.148 29.549 29.700 -0.005 0.000 0.762 1364 E HN 0.783 nan 8.360 nan 0.000 0.454 1365 S N 0.190 115.886 115.700 -0.007 0.000 2.608 1365 S HA 0.087 4.557 4.470 -0.000 0.000 0.261 1365 S C 0.780 175.376 174.600 -0.007 0.000 1.314 1365 S CA 0.085 58.282 58.200 -0.005 0.000 0.992 1365 S CB 1.684 64.881 63.200 -0.005 0.000 0.935 1365 S HN 0.411 nan 8.310 nan 0.000 0.564 1366 E N 0.407 120.604 120.200 -0.005 0.000 4.586 1366 E HA -0.207 4.143 4.350 -0.000 0.000 0.271 1366 E C 0.794 177.391 176.600 -0.005 0.000 0.767 1366 E CA 2.606 59.004 56.400 -0.004 0.000 1.491 1366 E CB -1.855 27.842 29.700 -0.005 0.000 1.758 1366 E HN 2.330 nan 8.360 nan 0.000 0.398 1367 G N 0.777 109.573 108.800 -0.007 0.000 2.367 1367 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.295 1367 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.295 1367 G C -0.309 174.585 174.900 -0.010 0.000 1.019 1367 G CA 0.567 45.662 45.100 -0.007 0.000 1.224 1367 G HN 0.345 nan 8.290 nan 0.000 0.510 1368 R N 0.893 121.380 120.500 -0.023 0.000 2.451 1368 R HA 0.486 4.826 4.340 -0.000 0.000 0.307 1368 R C -2.693 173.576 176.300 -0.053 0.000 0.965 1368 R CA -2.005 54.073 56.100 -0.038 0.000 0.865 1368 R CB 1.798 32.060 30.300 -0.063 0.000 1.174 1368 R HN 0.161 nan 8.270 nan 0.000 0.455 1369 P HA 0.025 nan 4.420 nan 0.000 0.272 1369 P C -0.681 176.584 177.300 -0.059 0.000 1.240 1369 P CA -0.232 62.846 63.100 -0.036 0.000 0.791 1369 P CB 0.618 32.307 31.700 -0.019 0.000 0.978 1370 E N 1.614 121.786 120.200 -0.046 0.000 2.373 1370 E HA 0.080 4.430 4.350 -0.000 0.000 0.267 1370 E C -0.388 176.175 176.600 -0.061 0.000 1.032 1370 E CA -0.288 56.085 56.400 -0.045 0.000 0.889 1370 E CB 0.401 30.086 29.700 -0.026 0.000 0.984 1370 E HN 0.159 nan 8.360 nan 0.000 0.425 1371 R N 3.349 123.819 120.500 -0.050 0.000 2.513 1371 R HA 0.404 4.744 4.340 -0.000 0.000 0.301 1371 R C -1.613 174.525 176.300 -0.270 0.000 0.968 1371 R CA -0.765 55.234 56.100 -0.168 0.000 0.872 1371 R CB 1.700 31.975 30.300 -0.042 0.000 1.177 1371 R HN 0.364 nan 8.270 nan 0.000 0.444 1372 V N 5.266 124.894 119.914 -0.476 0.000 2.540 1372 V HA 0.551 4.671 4.120 -0.000 0.000 0.302 1372 V C -0.862 174.820 176.094 -0.686 0.000 1.035 1372 V CA -0.672 61.371 62.300 -0.429 0.000 0.873 1372 V CB 1.890 33.534 31.823 -0.299 0.000 0.992 1372 V HN 0.507 nan 8.190 nan 0.000 0.428 1373 F N 3.242 123.113 119.950 -0.132 0.000 2.460 1373 F HA 0.495 5.022 4.527 0.000 0.000 0.341 1373 F C 0.366 176.117 175.800 -0.083 0.000 1.130 1373 F CA -0.638 57.317 58.000 -0.074 0.000 0.962 1373 F CB 1.119 40.046 39.000 -0.123 0.000 1.171 1373 F HN 0.454 nan 8.300 nan 0.000 0.436 1374 H N 5.508 124.761 119.070 0.305 0.000 2.846 1374 H HA 0.398 4.954 4.556 -0.000 0.000 0.278 1374 H C -0.376 175.092 175.328 0.232 0.000 1.117 1374 H CA -0.153 56.026 56.048 0.217 0.000 1.406 1374 H CB 0.784 30.639 29.762 0.156 0.000 1.445 1374 H HN 0.504 nan 8.280 nan 0.000 0.469 1375 L N 2.927 124.301 121.223 0.252 0.000 2.322 1375 L HA 0.291 4.631 4.340 -0.000 0.000 0.281 1375 L C 0.198 177.121 176.870 0.088 0.000 1.014 1375 L CA -0.735 54.181 54.840 0.127 0.000 0.815 1375 L CB 1.958 44.007 42.059 -0.016 0.000 1.247 1375 L HN 0.517 nan 8.230 nan 0.000 0.421 1376 C N 3.964 123.304 119.300 0.067 0.000 2.239 1376 C HA 0.511 4.971 4.460 -0.000 0.000 0.323 1376 C C 0.855 175.840 174.990 -0.007 0.000 1.205 1376 C CA -0.741 58.303 59.018 0.043 0.000 1.584 1376 C CB -0.707 27.067 27.740 0.057 0.000 2.201 1376 C HN 0.950 nan 8.230 nan 0.000 0.475 1377 C N 3.829 123.112 119.300 -0.029 0.000 2.705 1377 C HA 0.210 4.670 4.460 -0.000 0.000 0.382 1377 C C 2.161 177.134 174.990 -0.028 0.000 1.322 1377 C CA 0.427 59.408 59.018 -0.062 0.000 2.290 1377 C CB 0.554 28.266 27.740 -0.047 0.000 2.650 1377 C HN 0.984 nan 8.230 nan 0.000 0.695 1378 S N 0.259 115.938 115.700 -0.036 0.000 2.555 1378 S HA 0.081 4.551 4.470 -0.000 0.000 0.230 1378 S C 0.366 174.963 174.600 -0.005 0.000 0.978 1378 S CA 0.580 58.771 58.200 -0.016 0.000 0.934 1378 S CB -0.461 62.727 63.200 -0.021 0.000 0.766 1378 S HN 1.237 nan 8.310 nan 0.000 0.533 1379 S N -1.053 114.645 115.700 -0.004 0.000 2.622 1379 S HA 0.390 4.860 4.470 -0.000 0.000 0.275 1379 S C -2.881 171.727 174.600 0.013 0.000 1.112 1379 S CA -0.853 57.350 58.200 0.006 0.000 0.837 1379 S CB 0.950 64.152 63.200 0.003 0.000 1.082 1379 S HN -0.002 nan 8.310 nan 0.000 0.456 1380 P HA -0.134 nan 4.420 nan 0.000 0.218 1380 P C 0.838 178.155 177.300 0.028 0.000 1.148 1380 P CA 1.656 64.772 63.100 0.026 0.000 0.822 1380 P CB -0.013 31.701 31.700 0.022 0.000 0.784 1381 E N 0.176 120.388 120.200 0.019 0.000 2.072 1381 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 1381 E C 2.423 179.035 176.600 0.021 0.000 0.985 1381 E CA 1.351 57.761 56.400 0.017 0.000 0.801 1381 E CB -1.209 28.496 29.700 0.008 0.000 0.750 1381 E HN 0.186 nan 8.360 nan 0.000 0.452 1382 S N 0.148 115.857 115.700 0.014 0.000 2.359 1382 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 1382 S C 2.061 176.698 174.600 0.063 0.000 1.035 1382 S CA 1.584 59.791 58.200 0.011 0.000 1.018 1382 S CB -0.120 63.067 63.200 -0.021 0.000 0.876 1382 S HN 0.213 nan 8.310 nan 0.000 0.448 1383 R N 0.648 121.189 120.500 0.068 0.000 2.083 1383 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 1383 R C 2.366 178.743 176.300 0.128 0.000 1.137 1383 R CA 1.936 58.111 56.100 0.126 0.000 0.951 1383 R CB -0.393 29.963 30.300 0.094 0.000 0.851 1383 R HN 0.288 nan 8.270 nan 0.000 0.434 1384 K N 0.995 121.442 120.400 0.077 0.000 2.001 1384 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 1384 K C 1.488 178.120 176.600 0.053 0.000 1.050 1384 K CA 2.482 58.804 56.287 0.058 0.000 0.934 1384 K CB -0.461 32.062 32.500 0.038 0.000 0.718 1384 K HN 0.235 nan 8.250 nan 0.000 0.443 1385 D N -0.579 119.853 120.400 0.053 0.000 2.117 1385 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 1385 D C 1.712 178.047 176.300 0.058 0.000 0.987 1385 D CA 0.965 54.988 54.000 0.038 0.000 0.829 1385 D CB -0.400 40.413 40.800 0.022 0.000 0.961 1385 D HN 0.224 nan 8.370 nan 0.000 0.460 1386 F N 1.495 121.411 119.950 -0.056 0.000 2.046 1386 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 1386 F C 2.082 177.836 175.800 -0.077 0.000 1.123 1386 F CA 1.261 59.218 58.000 -0.073 0.000 1.199 1386 F CB -0.616 38.341 39.000 -0.072 0.000 0.972 1386 F HN -0.112 nan 8.300 nan 0.000 0.474 1387 L N 0.196 121.279 121.223 -0.234 0.000 2.046 1387 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 1387 L C 2.604 179.326 176.870 -0.247 0.000 1.077 1387 L CA 1.883 56.497 54.840 -0.375 0.000 0.747 1387 L CB -0.873 41.115 42.059 -0.118 0.000 0.896 1387 L HN 0.149 nan 8.230 nan 0.000 0.432 1388 K N -0.156 120.210 120.400 -0.057 0.000 2.044 1388 K HA -0.252 4.068 4.320 -0.000 0.000 0.210 1388 K C 2.433 179.002 176.600 -0.051 0.000 1.049 1388 K CA 1.912 58.206 56.287 0.012 0.000 0.927 1388 K CB -0.158 32.347 32.500 0.008 0.000 0.713 1388 K HN 0.141 nan 8.250 nan 0.000 0.443 1389 S N -0.156 115.472 115.700 -0.121 0.000 2.353 1389 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 1389 S C 1.928 176.415 174.600 -0.188 0.000 1.035 1389 S CA 1.546 59.667 58.200 -0.132 0.000 1.025 1389 S CB -0.282 62.846 63.200 -0.120 0.000 0.902 1389 S HN 0.232 nan 8.310 nan 0.000 0.440 1390 V N 2.275 121.964 119.914 -0.374 0.000 2.295 1390 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 1390 V C 2.478 178.432 176.094 -0.235 0.000 1.049 1390 V CA 2.078 64.148 62.300 -0.384 0.000 1.024 1390 V CB -1.016 30.422 31.823 -0.641 0.000 0.648 1390 V HN 0.586 nan 8.190 nan 0.000 0.447 1391 H N -0.189 118.785 119.070 -0.159 0.000 2.352 1391 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 1391 H C 2.706 177.979 175.328 -0.092 0.000 1.097 1391 H CA 1.890 57.870 56.048 -0.114 0.000 1.311 1391 H CB -0.522 29.177 29.762 -0.104 0.000 1.377 1391 H HN 0.472 nan 8.280 nan 0.000 0.504 1392 S N 0.729 116.451 115.700 0.036 0.000 2.359 1392 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 1392 S C 2.334 176.936 174.600 0.004 0.000 1.039 1392 S CA 1.775 59.978 58.200 0.006 0.000 1.042 1392 S CB -0.508 62.683 63.200 -0.015 0.000 0.915 1392 S HN 0.521 nan 8.310 nan 0.000 0.439 1393 I N -0.902 119.665 120.570 -0.006 0.000 2.394 1393 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 1393 I C 2.154 178.303 176.117 0.053 0.000 1.136 1393 I CA 1.266 62.575 61.300 0.016 0.000 1.425 1393 I CB -0.502 37.503 38.000 0.008 0.000 1.079 1393 I HN 0.263 nan 8.210 nan 0.000 0.425 1394 L N 0.820 122.078 121.223 0.057 0.000 2.044 1394 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 1394 L C 2.995 179.933 176.870 0.115 0.000 1.075 1394 L CA 1.421 56.342 54.840 0.135 0.000 0.747 1394 L CB -0.629 41.486 42.059 0.093 0.000 0.903 1394 L HN 0.276 nan 8.230 nan 0.000 0.435 1395 R N 0.511 121.003 120.500 -0.014 0.000 2.097 1395 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 1395 R C 1.951 178.274 176.300 0.038 0.000 1.135 1395 R CA 2.325 58.392 56.100 -0.056 0.000 0.934 1395 R CB -0.326 29.947 30.300 -0.045 0.000 0.846 1395 R HN 0.343 nan 8.270 nan 0.000 0.431 1396 D N 0.331 120.757 120.400 0.044 0.000 2.123 1396 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 1396 D C 1.865 178.211 176.300 0.077 0.000 0.992 1396 D CA 1.060 55.089 54.000 0.048 0.000 0.833 1396 D CB -0.081 40.736 40.800 0.029 0.000 0.954 1396 D HN 0.199 nan 8.370 nan 0.000 0.455 1397 K N 0.451 120.918 120.400 0.111 0.000 2.026 1397 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 1397 K C 2.086 178.748 176.600 0.103 0.000 1.048 1397 K CA 0.960 57.304 56.287 0.095 0.000 0.929 1397 K CB -0.876 31.676 32.500 0.087 0.000 0.713 1397 K HN 0.315 nan 8.250 nan 0.000 0.439 1398 H N 0.284 119.359 119.070 0.008 0.000 2.321 1398 H HA -0.106 4.450 4.556 0.000 0.000 0.295 1398 H C 2.233 177.563 175.328 0.004 0.000 1.102 1398 H CA 1.854 57.907 56.048 0.008 0.000 1.266 1398 H CB 0.039 29.807 29.762 0.009 0.000 1.363 1398 H HN 0.029 nan 8.280 nan 0.000 0.492 1399 R N 0.970 121.550 120.500 0.134 0.000 2.055 1399 R HA -0.021 4.319 4.340 -0.000 0.000 0.226 1399 R C 1.931 178.256 176.300 0.041 0.000 1.135 1399 R CA 1.116 57.256 56.100 0.068 0.000 0.959 1399 R CB -0.240 30.088 30.300 0.047 0.000 0.854 1399 R HN 0.138 nan 8.270 nan 0.000 0.431 1400 R N 0.821 121.345 120.500 0.038 0.000 2.357 1400 R HA 0.009 4.349 4.340 -0.000 0.000 0.202 1400 R C -0.127 176.180 176.300 0.011 0.000 1.047 1400 R CA 0.697 56.810 56.100 0.021 0.000 1.034 1400 R CB -0.004 30.309 30.300 0.021 0.000 0.875 1400 R HN 0.206 nan 8.270 nan 0.000 0.473 1401 Q N 0.000 119.806 119.800 0.010 0.000 2.315 1401 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1401 Q CA 0.000 55.796 55.803 -0.011 0.000 1.022 1401 Q CB 0.000 28.717 28.738 -0.035 0.000 1.108 1401 Q HN 0.000 nan 8.270 nan 0.000 0.481