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 2vyf_1_B DATA FIRST_RESID 1007 DATA SEQUENCE ERIPPQSIEA EQAVLGAVFL DPTALTLASE RLIPEDFYRA AHQKIFHAML DATA SEQUENCE RVADKGEPVD LVTVTAELAA LEQLEEVGGV SYLSELADSV PTAANVEYYA DATA SEQUENCE RIVEEKSLLR RLIRTATSIA QDGYTREDEI DVLLDEAERK IMEVSQRKHX DATA SEQUENCE XAFKNIKDVL VQTYDNIEML HNRXXXITGI PTGFTELDRM TSGFQRSDLI DATA SEQUENCE IVAARPSVGK TAFALNIAQN VATKTNENVA IFSLEMSAQQ LVMRMLCAEG DATA SEQUENCE NINAQNLRTG KLTPEDWGKL TMAMGSLSNA GIYIDDTPSI RVSDIRAKCR DATA SEQUENCE RLKQESGLGM VVIDYLXXXX XXXXXRENRQ QEVSEISRSL KALARELEVP DATA SEQUENCE VIALSQLSRX XXXXXXXXXX XXXXXESGSI EQDADIVAFL YXXXXXXXXX DATA SEQUENCE XXXXIIEIII AKQRNGPVGT 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 1007 E HA 0.000 nan 4.350 nan 0.000 0.291 1007 E C 0.000 176.609 176.600 0.014 0.000 1.382 1007 E CA 0.000 56.410 56.400 0.017 0.000 0.976 1007 E CB 0.000 29.709 29.700 0.016 0.000 0.812 1008 R N 0.499 121.005 120.500 0.010 0.000 2.668 1008 R HA 0.451 4.791 4.340 -0.000 0.000 0.268 1008 R C 0.493 176.795 176.300 0.003 0.000 1.232 1008 R CA -0.547 55.556 56.100 0.005 0.000 1.166 1008 R CB 0.239 30.539 30.300 -0.000 0.000 1.179 1008 R HN -0.006 nan 8.270 nan 0.000 0.606 1009 I N 1.804 122.369 120.570 -0.009 0.000 2.517 1009 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 1009 I C -2.079 174.014 176.117 -0.041 0.000 1.106 1009 I CA -2.166 59.120 61.300 -0.023 0.000 1.402 1009 I CB 0.448 38.425 38.000 -0.039 0.000 1.399 1009 I HN 0.605 nan 8.210 nan 0.000 0.535 1010 P HA 0.146 nan 4.420 nan 0.000 0.270 1010 P C -2.541 174.676 177.300 -0.138 0.000 1.227 1010 P CA -0.809 62.258 63.100 -0.054 0.000 0.788 1010 P CB -0.321 31.390 31.700 0.018 0.000 0.926 1011 P HA 0.071 nan 4.420 nan 0.000 0.244 1011 P C -0.735 176.443 177.300 -0.203 0.000 1.769 1011 P CA 0.102 63.128 63.100 -0.122 0.000 1.102 1011 P CB 0.048 31.708 31.700 -0.068 0.000 1.937 1012 Q N 0.740 120.359 119.800 -0.301 0.000 2.296 1012 Q HA 0.147 4.487 4.340 -0.000 0.000 0.262 1012 Q C 1.272 177.150 176.000 -0.204 0.000 0.981 1012 Q CA -0.082 55.479 55.803 -0.405 0.000 0.905 1012 Q CB 0.929 29.347 28.738 -0.534 0.000 1.186 1012 Q HN 0.252 nan 8.270 nan 0.000 0.399 1013 S N 2.580 118.185 115.700 -0.159 0.000 2.496 1013 S HA -0.083 4.386 4.470 -0.000 0.000 0.224 1013 S C 1.588 176.184 174.600 -0.006 0.000 0.996 1013 S CA 0.439 58.598 58.200 -0.070 0.000 0.927 1013 S CB -0.082 63.067 63.200 -0.086 0.000 0.774 1013 S HN 0.652 nan 8.310 nan 0.000 0.524 1014 I N 2.557 123.129 120.570 0.003 0.000 2.227 1014 I HA -0.280 3.889 4.170 -0.000 0.000 0.250 1014 I C 2.240 178.438 176.117 0.134 0.000 1.087 1014 I CA 2.002 63.361 61.300 0.099 0.000 1.352 1014 I CB -1.307 36.725 38.000 0.054 0.000 1.043 1014 I HN 0.366 nan 8.210 nan 0.000 0.425 1015 E N 2.478 122.731 120.200 0.088 0.000 2.085 1015 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 1015 E C 2.121 178.758 176.600 0.061 0.000 0.994 1015 E CA 1.925 58.382 56.400 0.096 0.000 0.801 1015 E CB -0.871 28.895 29.700 0.110 0.000 0.743 1015 E HN 0.633 nan 8.360 nan 0.000 0.453 1016 A N 1.160 124.037 122.820 0.095 0.000 2.016 1016 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 1016 A C 2.060 179.623 177.584 -0.034 0.000 1.162 1016 A CA 0.985 53.065 52.037 0.071 0.000 0.662 1016 A CB -0.259 18.874 19.000 0.221 0.000 0.812 1016 A HN 0.287 nan 8.150 nan 0.000 0.450 1017 E N -0.147 120.085 120.200 0.053 0.000 2.028 1017 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 1017 E C 2.189 178.901 176.600 0.187 0.000 0.988 1017 E CA 1.296 57.797 56.400 0.169 0.000 0.799 1017 E CB -0.214 29.734 29.700 0.413 0.000 0.755 1017 E HN 0.684 nan 8.360 nan 0.000 0.447 1018 Q N 0.062 119.967 119.800 0.174 0.000 2.234 1018 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 1018 Q C 2.104 178.058 176.000 -0.076 0.000 0.980 1018 Q CA 1.155 56.984 55.803 0.042 0.000 0.869 1018 Q CB -0.149 28.667 28.738 0.129 0.000 0.912 1018 Q HN 0.215 nan 8.270 nan 0.000 0.436 1019 A N 0.158 122.854 122.820 -0.207 0.000 1.969 1019 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 1019 A C 2.235 179.688 177.584 -0.219 0.000 1.169 1019 A CA 1.189 52.974 52.037 -0.420 0.000 0.635 1019 A CB -0.283 17.948 19.000 -1.281 0.000 0.810 1019 A HN 0.207 nan 8.150 nan 0.000 0.445 1020 V N -0.158 119.705 119.914 -0.084 0.000 2.302 1020 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 1020 V C 2.448 178.553 176.094 0.019 0.000 1.036 1020 V CA 1.442 63.773 62.300 0.052 0.000 1.020 1020 V CB -0.850 31.099 31.823 0.209 0.000 0.657 1020 V HN 0.528 nan 8.190 nan 0.000 0.453 1021 L N 0.714 121.929 121.223 -0.014 0.000 2.131 1021 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 1021 L C 2.532 179.200 176.870 -0.336 0.000 1.092 1021 L CA 1.645 56.337 54.840 -0.247 0.000 0.759 1021 L CB -0.986 40.867 42.059 -0.342 0.000 0.903 1021 L HN 0.508 nan 8.230 nan 0.000 0.435 1022 G N -0.598 108.121 108.800 -0.135 0.000 2.404 1022 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 1022 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 1022 G C 1.795 176.688 174.900 -0.013 0.000 1.189 1022 G CA 0.648 45.743 45.100 -0.007 0.000 0.789 1022 G HN 0.423 nan 8.290 nan 0.000 0.533 1023 A N 0.165 122.962 122.820 -0.039 0.000 1.958 1023 A HA -0.057 4.263 4.320 -0.000 0.000 0.221 1023 A C 2.609 180.172 177.584 -0.035 0.000 1.178 1023 A CA 2.079 54.111 52.037 -0.009 0.000 0.642 1023 A CB -0.958 18.048 19.000 0.009 0.000 0.816 1023 A HN 0.562 nan 8.150 nan 0.000 0.453 1024 V N -1.025 118.807 119.914 -0.138 0.000 2.287 1024 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 1024 V C 2.200 178.217 176.094 -0.128 0.000 1.053 1024 V CA 2.480 64.658 62.300 -0.203 0.000 1.027 1024 V CB -0.744 30.837 31.823 -0.405 0.000 0.646 1024 V HN 0.546 nan 8.190 nan 0.000 0.447 1025 F N -0.145 119.766 119.950 -0.065 0.000 2.373 1025 F HA -0.075 4.451 4.527 -0.000 0.000 0.300 1025 F C 2.020 177.796 175.800 -0.040 0.000 1.080 1025 F CA 1.170 59.133 58.000 -0.062 0.000 1.417 1025 F CB -0.662 38.297 39.000 -0.068 0.000 1.070 1025 F HN 0.174 nan 8.300 nan 0.000 0.546 1026 L N -1.752 119.553 121.223 0.136 0.000 2.249 1026 L HA 0.077 4.417 4.340 -0.000 0.000 0.207 1026 L C 0.419 177.320 176.870 0.052 0.000 1.090 1026 L CA 0.692 55.582 54.840 0.082 0.000 0.802 1026 L CB 0.012 42.110 42.059 0.065 0.000 0.947 1026 L HN -0.028 nan 8.230 nan 0.000 0.453 1027 D N -1.017 119.404 120.400 0.035 0.000 2.859 1027 D HA 0.169 4.809 4.640 -0.000 0.000 0.223 1027 D C -2.147 174.155 176.300 0.002 0.000 1.218 1027 D CA -1.521 52.491 54.000 0.021 0.000 0.850 1027 D CB 2.953 43.767 40.800 0.023 0.000 1.656 1027 D HN -0.270 nan 8.370 nan 0.000 0.484 1028 P HA -0.101 nan 4.420 nan 0.000 0.216 1028 P C 1.199 178.486 177.300 -0.022 0.000 1.153 1028 P CA 1.223 64.312 63.100 -0.018 0.000 0.848 1028 P CB 0.142 31.835 31.700 -0.012 0.000 0.787 1029 T N 0.214 114.765 114.554 -0.005 0.000 2.897 1029 T HA -0.094 4.256 4.350 -0.000 0.000 0.271 1029 T C 2.062 176.765 174.700 0.005 0.000 1.084 1029 T CA 1.421 63.522 62.100 0.002 0.000 1.123 1029 T CB -0.768 68.107 68.868 0.012 0.000 0.865 1029 T HN 0.122 nan 8.240 nan 0.000 0.496 1030 A N 1.670 124.491 122.820 0.002 0.000 1.865 1030 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 1030 A C 2.282 179.868 177.584 0.003 0.000 1.191 1030 A CA 1.647 53.690 52.037 0.010 0.000 0.623 1030 A CB -0.925 18.074 19.000 -0.002 0.000 0.826 1030 A HN 0.523 nan 8.150 nan 0.000 0.444 1031 L N -0.675 120.518 121.223 -0.049 0.000 2.017 1031 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1031 L C 2.459 179.316 176.870 -0.021 0.000 1.073 1031 L CA 2.524 57.310 54.840 -0.089 0.000 0.745 1031 L CB -0.690 41.250 42.059 -0.198 0.000 0.894 1031 L HN 0.370 nan 8.230 nan 0.000 0.432 1032 T N 0.487 115.030 114.554 -0.018 0.000 2.737 1032 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 1032 T C 1.833 176.554 174.700 0.035 0.000 1.040 1032 T CA 1.939 64.041 62.100 0.004 0.000 1.142 1032 T CB -0.295 68.573 68.868 -0.001 0.000 0.861 1032 T HN 0.332 nan 8.240 nan 0.000 0.456 1033 L N 0.150 121.397 121.223 0.041 0.000 2.313 1033 L HA 0.117 4.457 4.340 -0.000 0.000 0.214 1033 L C 2.890 179.809 176.870 0.081 0.000 1.119 1033 L CA 0.571 55.440 54.840 0.048 0.000 0.809 1033 L CB -0.527 41.556 42.059 0.040 0.000 0.933 1033 L HN 0.231 nan 8.230 nan 0.000 0.449 1034 A N -0.590 122.312 122.820 0.137 0.000 1.854 1034 A HA -0.200 4.120 4.320 -0.000 0.000 0.214 1034 A C 2.502 180.246 177.584 0.267 0.000 1.192 1034 A CA 1.800 53.979 52.037 0.237 0.000 0.611 1034 A CB -0.729 18.535 19.000 0.439 0.000 0.832 1034 A HN 0.284 nan 8.150 nan 0.000 0.442 1035 S N -0.532 115.359 115.700 0.319 0.000 2.419 1035 S HA -0.211 4.258 4.470 -0.000 0.000 0.235 1035 S C 1.901 176.578 174.600 0.127 0.000 1.019 1035 S CA 1.775 60.136 58.200 0.269 0.000 0.982 1035 S CB -0.376 62.927 63.200 0.172 0.000 0.789 1035 S HN 0.562 nan 8.310 nan 0.000 0.490 1036 E N 0.918 121.170 120.200 0.088 0.000 2.187 1036 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 1036 E C 2.130 178.745 176.600 0.024 0.000 1.004 1036 E CA 1.408 57.834 56.400 0.042 0.000 0.813 1036 E CB -0.022 29.693 29.700 0.026 0.000 0.736 1036 E HN 0.470 nan 8.360 nan 0.000 0.468 1037 R N -1.471 119.043 120.500 0.023 0.000 2.492 1037 R HA 0.205 4.545 4.340 -0.000 0.000 0.219 1037 R C -0.410 175.879 176.300 -0.018 0.000 0.886 1037 R CA 0.276 56.372 56.100 -0.007 0.000 1.003 1037 R CB 0.433 30.714 30.300 -0.031 0.000 1.345 1037 R HN 0.113 nan 8.270 nan 0.000 0.631 1038 L N -1.256 119.955 121.223 -0.020 0.000 2.279 1038 L HA 0.710 5.050 4.340 -0.000 0.000 0.262 1038 L C -0.688 176.152 176.870 -0.050 0.000 1.019 1038 L CA -1.130 53.665 54.840 -0.074 0.000 0.823 1038 L CB 0.903 42.851 42.059 -0.186 0.000 1.358 1038 L HN -0.261 nan 8.230 nan 0.000 0.432 1039 I N 0.770 121.307 120.570 -0.054 0.000 2.647 1039 I HA 0.552 4.722 4.170 -0.000 0.000 0.295 1039 I C -1.592 174.552 176.117 0.046 0.000 1.078 1039 I CA -1.759 59.562 61.300 0.037 0.000 1.048 1039 I CB 2.276 40.321 38.000 0.075 0.000 1.239 1039 I HN 0.543 nan 8.210 nan 0.000 0.421 1040 P HA -0.287 nan 4.420 nan 0.000 0.222 1040 P C 0.965 178.385 177.300 0.200 0.000 1.157 1040 P CA 1.780 65.010 63.100 0.217 0.000 0.905 1040 P CB 0.384 32.294 31.700 0.350 0.000 0.792 1041 E N -0.434 119.852 120.200 0.143 0.000 2.171 1041 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 1041 E C 1.902 178.552 176.600 0.083 0.000 0.997 1041 E CA 1.318 57.773 56.400 0.092 0.000 0.810 1041 E CB -0.846 28.892 29.700 0.063 0.000 0.738 1041 E HN 0.299 nan 8.360 nan 0.000 0.467 1042 D N -0.569 119.875 120.400 0.074 0.000 2.117 1042 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 1042 D C 0.106 176.410 176.300 0.007 0.000 0.987 1042 D CA 0.487 54.489 54.000 0.004 0.000 0.829 1042 D CB -0.191 40.556 40.800 -0.090 0.000 0.961 1042 D HN 0.073 nan 8.370 nan 0.000 0.460 1043 F N 0.005 119.922 119.950 -0.056 0.000 2.628 1043 F HA -0.101 4.426 4.527 -0.000 0.000 0.362 1043 F C 1.554 177.392 175.800 0.064 0.000 1.148 1043 F CA 0.250 58.261 58.000 0.018 0.000 1.352 1043 F CB 0.275 39.301 39.000 0.044 0.000 1.081 1043 F HN -0.066 nan 8.300 nan 0.000 0.605 1044 Y N 1.553 121.915 120.300 0.103 0.000 2.205 1044 Y HA 0.164 4.714 4.550 -0.000 0.000 0.292 1044 Y C 1.374 177.297 175.900 0.038 0.000 1.119 1044 Y CA 0.490 58.612 58.100 0.036 0.000 1.117 1044 Y CB -0.091 38.354 38.460 -0.026 0.000 1.037 1044 Y HN 0.377 nan 8.280 nan 0.000 0.510 1045 R N 1.022 121.605 120.500 0.139 0.000 2.585 1045 R HA 0.072 4.412 4.340 -0.000 0.000 0.275 1045 R C 1.251 177.571 176.300 0.035 0.000 1.018 1045 R CA 0.705 56.804 56.100 -0.002 0.000 1.072 1045 R CB 0.504 30.627 30.300 -0.296 0.000 0.953 1045 R HN 0.506 nan 8.270 nan 0.000 0.419 1046 A N 4.338 127.155 122.820 -0.005 0.000 1.884 1046 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 1046 A C 2.103 179.742 177.584 0.091 0.000 1.197 1046 A CA 2.284 54.330 52.037 0.016 0.000 0.637 1046 A CB -1.116 17.887 19.000 0.004 0.000 0.827 1046 A HN 0.858 nan 8.150 nan 0.000 0.450 1047 A N -1.075 121.842 122.820 0.161 0.000 1.858 1047 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 1047 A C 1.934 179.653 177.584 0.224 0.000 1.190 1047 A CA 1.598 53.765 52.037 0.218 0.000 0.617 1047 A CB -1.231 17.986 19.000 0.362 0.000 0.827 1047 A HN 0.760 nan 8.150 nan 0.000 0.443 1048 H N -0.705 118.420 119.070 0.092 0.000 2.466 1048 H HA -0.192 4.364 4.556 -0.000 0.000 0.297 1048 H C 2.325 177.552 175.328 -0.169 0.000 1.113 1048 H CA 1.594 57.645 56.048 0.005 0.000 1.273 1048 H CB 0.100 30.030 29.762 0.280 0.000 1.371 1048 H HN 0.677 nan 8.280 nan 0.000 0.528 1049 Q N 0.809 120.681 119.800 0.121 0.000 2.008 1049 Q HA -0.083 4.257 4.340 -0.000 0.000 0.196 1049 Q C 2.282 178.312 176.000 0.050 0.000 0.973 1049 Q CA 0.845 56.689 55.803 0.068 0.000 0.826 1049 Q CB 0.103 28.900 28.738 0.098 0.000 0.894 1049 Q HN 0.373 nan 8.270 nan 0.000 0.439 1050 K N 0.646 121.075 120.400 0.047 0.000 2.074 1050 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 1050 K C 2.024 178.651 176.600 0.046 0.000 1.048 1050 K CA 1.384 57.696 56.287 0.041 0.000 0.926 1050 K CB -0.245 32.274 32.500 0.032 0.000 0.713 1050 K HN 0.182 nan 8.250 nan 0.000 0.444 1051 I N 0.017 120.583 120.570 -0.007 0.000 2.113 1051 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 1051 I C 2.231 178.267 176.117 -0.134 0.000 1.070 1051 I CA 1.216 62.474 61.300 -0.070 0.000 1.332 1051 I CB -0.228 37.688 38.000 -0.139 0.000 1.044 1051 I HN 0.059 nan 8.210 nan 0.000 0.402 1052 F N 0.747 120.476 119.950 -0.368 0.000 2.250 1052 F HA -0.277 4.250 4.527 -0.000 0.000 0.301 1052 F C 2.623 178.306 175.800 -0.195 0.000 1.077 1052 F CA 1.718 59.468 58.000 -0.416 0.000 1.348 1052 F CB -0.396 38.123 39.000 -0.803 0.000 1.040 1052 F HN 0.182 nan 8.300 nan 0.000 0.509 1053 H N -0.214 118.858 119.070 0.004 0.000 2.343 1053 H HA -0.016 4.540 4.556 -0.000 0.000 0.303 1053 H C 2.243 177.527 175.328 -0.072 0.000 1.068 1053 H CA 1.344 57.400 56.048 0.013 0.000 1.359 1053 H CB -0.350 29.433 29.762 0.035 0.000 1.402 1053 H HN 0.285 nan 8.280 nan 0.000 0.515 1054 A N 1.503 124.361 122.820 0.062 0.000 1.873 1054 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 1054 A C 2.763 180.267 177.584 -0.133 0.000 1.193 1054 A CA 2.036 54.072 52.037 -0.000 0.000 0.629 1054 A CB -0.939 18.073 19.000 0.019 0.000 0.826 1054 A HN 0.475 nan 8.150 nan 0.000 0.447 1055 M N -0.893 118.578 119.600 -0.216 0.000 2.089 1055 M HA -0.203 4.277 4.480 -0.000 0.000 0.257 1055 M C 2.186 178.291 176.300 -0.324 0.000 1.071 1055 M CA 1.754 56.871 55.300 -0.305 0.000 1.096 1055 M CB -0.477 31.809 32.600 -0.524 0.000 1.330 1055 M HN 0.428 nan 8.290 nan 0.000 0.403 1056 L N -1.041 119.942 121.223 -0.401 0.000 2.131 1056 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 1056 L C 2.569 179.288 176.870 -0.252 0.000 1.092 1056 L CA 1.176 55.816 54.840 -0.333 0.000 0.759 1056 L CB -0.392 41.480 42.059 -0.313 0.000 0.903 1056 L HN 0.276 nan 8.230 nan 0.000 0.435 1057 R N -0.896 119.447 120.500 -0.261 0.000 2.148 1057 R HA -0.092 4.248 4.340 -0.000 0.000 0.223 1057 R C 2.104 178.338 176.300 -0.110 0.000 1.088 1057 R CA 0.715 56.709 56.100 -0.176 0.000 0.985 1057 R CB 0.065 30.284 30.300 -0.135 0.000 0.880 1057 R HN 0.130 nan 8.270 nan 0.000 0.451 1058 V N 0.454 120.301 119.914 -0.111 0.000 2.270 1058 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 1058 V C 2.346 178.392 176.094 -0.080 0.000 1.043 1058 V CA 1.896 64.149 62.300 -0.078 0.000 1.014 1058 V CB -0.682 31.098 31.823 -0.071 0.000 0.645 1058 V HN 0.477 nan 8.190 nan 0.000 0.447 1059 A N 0.048 122.804 122.820 -0.108 0.000 1.851 1059 A HA -0.310 4.010 4.320 -0.000 0.000 0.216 1059 A C 2.019 179.558 177.584 -0.074 0.000 1.195 1059 A CA 2.269 54.250 52.037 -0.093 0.000 0.622 1059 A CB -0.895 18.033 19.000 -0.120 0.000 0.831 1059 A HN 0.523 nan 8.150 nan 0.000 0.444 1060 D N -0.666 119.682 120.400 -0.086 0.000 2.172 1060 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 1060 D C 1.846 178.117 176.300 -0.048 0.000 0.999 1060 D CA 1.712 55.672 54.000 -0.066 0.000 0.856 1060 D CB -0.245 40.508 40.800 -0.078 0.000 0.934 1060 D HN 0.492 nan 8.370 nan 0.000 0.453 1061 K N -0.725 119.645 120.400 -0.050 0.000 2.281 1061 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 1061 K C 1.309 177.891 176.600 -0.029 0.000 1.046 1061 K CA 1.445 57.711 56.287 -0.035 0.000 0.938 1061 K CB -0.047 32.433 32.500 -0.034 0.000 0.737 1061 K HN 0.251 nan 8.250 nan 0.000 0.458 1062 G N -0.655 108.126 108.800 -0.033 0.000 2.238 1062 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 1062 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 1062 G C -0.285 174.600 174.900 -0.026 0.000 0.996 1062 G CA 0.171 45.255 45.100 -0.026 0.000 0.632 1062 G HN 0.421 nan 8.290 nan 0.000 0.503 1063 E N 1.856 122.039 120.200 -0.028 0.000 2.376 1063 E HA 0.441 4.791 4.350 -0.000 0.000 0.254 1063 E C -2.052 174.531 176.600 -0.029 0.000 1.213 1063 E CA -1.197 55.188 56.400 -0.025 0.000 0.945 1063 E CB 0.744 30.430 29.700 -0.024 0.000 1.057 1063 E HN 0.302 nan 8.360 nan 0.000 0.479 1064 P HA 0.013 nan 4.420 nan 0.000 0.282 1064 P C 0.295 177.582 177.300 -0.022 0.000 1.259 1064 P CA -0.213 62.874 63.100 -0.021 0.000 0.826 1064 P CB 1.209 32.902 31.700 -0.013 0.000 1.064 1065 V N -2.482 117.418 119.914 -0.022 0.000 3.621 1065 V HA 0.094 4.213 4.120 -0.000 0.000 0.263 1065 V C 0.657 176.779 176.094 0.047 0.000 1.272 1065 V CA 0.251 62.541 62.300 -0.015 0.000 1.080 1065 V CB -0.846 30.937 31.823 -0.067 0.000 0.816 1065 V HN 0.529 nan 8.190 nan 0.000 0.451 1066 D N 4.548 124.983 120.400 0.059 0.000 2.349 1066 D HA 0.004 4.644 4.640 -0.000 0.000 0.266 1066 D C 1.395 177.742 176.300 0.077 0.000 1.293 1066 D CA 0.309 54.385 54.000 0.127 0.000 0.926 1066 D CB 1.320 42.176 40.800 0.094 0.000 1.090 1066 D HN 0.375 nan 8.370 nan 0.000 0.502 1067 L N 0.462 121.772 121.223 0.145 0.000 4.626 1067 L HA -0.344 3.996 4.340 -0.000 0.000 0.454 1067 L C 0.720 177.503 176.870 -0.145 0.000 1.053 1067 L CA 1.221 55.950 54.840 -0.185 0.000 0.934 1067 L CB -2.422 39.145 42.059 -0.821 0.000 1.683 1067 L HN 0.419 nan 8.230 nan 0.000 1.098 1068 V N 0.091 119.968 119.914 -0.062 0.000 2.690 1068 V HA -0.091 4.028 4.120 -0.000 0.000 0.240 1068 V C 2.656 178.735 176.094 -0.025 0.000 1.078 1068 V CA 1.716 63.983 62.300 -0.055 0.000 1.102 1068 V CB -0.042 31.755 31.823 -0.044 0.000 0.800 1068 V HN 0.639 nan 8.190 nan 0.000 0.479 1069 T N -0.591 113.957 114.554 -0.010 0.000 2.720 1069 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 1069 T C 1.882 176.583 174.700 0.001 0.000 1.037 1069 T CA 1.924 64.020 62.100 -0.006 0.000 1.144 1069 T CB -0.642 68.222 68.868 -0.007 0.000 0.864 1069 T HN 0.307 nan 8.240 nan 0.000 0.444 1070 V N 0.797 120.726 119.914 0.025 0.000 2.649 1070 V HA 0.008 4.128 4.120 -0.000 0.000 0.248 1070 V C 2.510 178.626 176.094 0.035 0.000 1.054 1070 V CA 2.210 64.537 62.300 0.044 0.000 1.073 1070 V CB -0.842 31.054 31.823 0.121 0.000 0.699 1070 V HN 0.603 nan 8.190 nan 0.000 0.463 1071 T N -0.618 113.939 114.554 0.004 0.000 3.072 1071 T HA 0.168 4.518 4.350 -0.000 0.000 0.266 1071 T C 1.464 176.156 174.700 -0.015 0.000 1.127 1071 T CA 1.346 63.431 62.100 -0.026 0.000 1.107 1071 T CB -0.158 68.660 68.868 -0.083 0.000 0.910 1071 T HN 0.695 nan 8.240 nan 0.000 0.513 1072 A N -0.135 122.679 122.820 -0.009 0.000 2.167 1072 A HA 0.349 4.669 4.320 -0.000 0.000 0.208 1072 A C 1.903 179.487 177.584 -0.000 0.000 1.198 1072 A CA 0.685 52.718 52.037 -0.007 0.000 0.863 1072 A CB -0.131 18.863 19.000 -0.011 0.000 0.904 1072 A HN 0.449 nan 8.150 nan 0.000 0.484 1073 E N 0.060 120.262 120.200 0.002 0.000 2.046 1073 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 1073 E C 1.749 178.357 176.600 0.014 0.000 0.982 1073 E CA 0.808 57.211 56.400 0.005 0.000 0.800 1073 E CB -0.257 29.443 29.700 -0.000 0.000 0.756 1073 E HN 0.243 nan 8.360 nan 0.000 0.449 1074 L N 0.557 121.790 121.223 0.017 0.000 2.129 1074 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 1074 L C 2.180 179.062 176.870 0.019 0.000 1.087 1074 L CA 2.023 56.877 54.840 0.024 0.000 0.757 1074 L CB -1.526 40.550 42.059 0.028 0.000 0.896 1074 L HN 0.310 nan 8.230 nan 0.000 0.434 1075 A N -0.373 122.455 122.820 0.012 0.000 1.873 1075 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 1075 A C 1.543 179.133 177.584 0.010 0.000 1.186 1075 A CA 0.962 53.005 52.037 0.010 0.000 0.616 1075 A CB -0.755 18.247 19.000 0.003 0.000 0.823 1075 A HN 0.419 nan 8.150 nan 0.000 0.442 1076 A N -0.230 122.596 122.820 0.009 0.000 2.429 1076 A HA 0.410 4.730 4.320 -0.000 0.000 0.242 1076 A C 1.216 178.808 177.584 0.013 0.000 1.088 1076 A CA 0.279 52.322 52.037 0.010 0.000 0.784 1076 A CB -0.248 18.757 19.000 0.009 0.000 1.038 1076 A HN 1.625 nan 8.150 nan 0.000 0.501 1077 L N -1.720 119.510 121.223 0.012 0.000 4.107 1077 L HA -0.245 4.095 4.340 -0.000 0.000 0.437 1077 L C 0.241 177.117 176.870 0.011 0.000 1.128 1077 L CA 1.607 56.454 54.840 0.011 0.000 0.980 1077 L CB -3.095 38.973 42.059 0.014 0.000 1.878 1077 L HN 1.179 nan 8.230 nan 0.000 1.047 1078 E N 1.306 121.513 120.200 0.012 0.000 1.173 1078 E HA -0.240 4.110 4.350 -0.000 0.000 0.264 1078 E C 0.735 177.344 176.600 0.016 0.000 1.053 1078 E CA 1.721 58.129 56.400 0.013 0.000 0.899 1078 E CB -0.535 29.171 29.700 0.010 0.000 0.855 1078 E HN 0.825 nan 8.360 nan 0.000 0.297 1079 Q N 3.337 123.150 119.800 0.022 0.000 2.140 1079 Q HA 0.130 4.470 4.340 -0.000 0.000 0.227 1079 Q C 1.408 177.431 176.000 0.039 0.000 0.798 1079 Q CA -0.396 55.423 55.803 0.027 0.000 0.987 1079 Q CB 0.274 29.028 28.738 0.026 0.000 1.161 1079 Q HN 0.515 nan 8.270 nan 0.000 0.480 1080 L N 1.838 123.082 121.223 0.034 0.000 1.955 1080 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 1080 L C 1.788 178.689 176.870 0.051 0.000 1.072 1080 L CA 2.196 57.060 54.840 0.040 0.000 0.755 1080 L CB -0.443 41.632 42.059 0.026 0.000 0.888 1080 L HN 0.317 nan 8.230 nan 0.000 0.432 1081 E N -0.444 119.779 120.200 0.039 0.000 2.265 1081 E HA -0.274 4.075 4.350 -0.000 0.000 0.196 1081 E C 1.832 178.460 176.600 0.047 0.000 0.996 1081 E CA 1.070 57.494 56.400 0.039 0.000 0.832 1081 E CB -0.014 29.701 29.700 0.026 0.000 0.756 1081 E HN 0.652 nan 8.360 nan 0.000 0.491 1082 E N 1.056 121.284 120.200 0.048 0.000 2.076 1082 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 1082 E C 2.137 178.786 176.600 0.082 0.000 0.979 1082 E CA 0.562 56.992 56.400 0.051 0.000 0.807 1082 E CB 0.274 29.997 29.700 0.039 0.000 0.761 1082 E HN -0.006 nan 8.360 nan 0.000 0.454 1083 V N -0.193 119.784 119.914 0.104 0.000 2.515 1083 V HA -0.052 4.067 4.120 -0.000 0.000 0.250 1083 V C 1.648 177.911 176.094 0.281 0.000 1.058 1083 V CA 1.682 64.085 62.300 0.171 0.000 1.064 1083 V CB 0.258 32.165 31.823 0.139 0.000 0.675 1083 V HN 0.650 nan 8.190 nan 0.000 0.461 1084 G N -2.225 106.704 108.800 0.215 0.000 2.507 1084 G HA2 0.344 4.304 3.960 -0.000 0.000 0.205 1084 G HA3 0.344 4.304 3.960 -0.000 0.000 0.205 1084 G C 0.476 175.489 174.900 0.187 0.000 0.996 1084 G CA -0.122 45.109 45.100 0.219 0.000 0.776 1084 G HN 1.469 nan 8.290 nan 0.000 0.532 1085 G N -1.417 107.467 108.800 0.139 0.000 2.814 1085 G HA2 0.076 4.036 3.960 -0.000 0.000 0.677 1085 G HA3 0.076 4.036 3.960 -0.000 0.000 0.677 1085 G C 0.963 175.917 174.900 0.090 0.000 1.429 1085 G CA -0.094 45.061 45.100 0.091 0.000 0.868 1085 G HN 1.215 nan 8.290 nan 0.000 0.553 1086 V N 0.557 120.494 119.914 0.037 0.000 2.332 1086 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 1086 V C 3.112 179.213 176.094 0.011 0.000 1.055 1086 V CA 3.155 65.452 62.300 -0.004 0.000 1.038 1086 V CB -1.003 30.803 31.823 -0.027 0.000 0.651 1086 V HN 1.313 nan 8.190 nan 0.000 0.450 1087 S N -1.082 114.644 115.700 0.044 0.000 2.372 1087 S HA -0.321 4.148 4.470 -0.000 0.000 0.227 1087 S C 1.994 176.675 174.600 0.136 0.000 1.044 1087 S CA 2.289 60.526 58.200 0.062 0.000 1.050 1087 S CB -0.506 62.728 63.200 0.057 0.000 0.901 1087 S HN 0.724 nan 8.310 nan 0.000 0.447 1088 Y N 1.147 121.453 120.300 0.010 0.000 2.145 1088 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 1088 Y C 2.174 178.095 175.900 0.035 0.000 1.145 1088 Y CA 1.484 59.605 58.100 0.035 0.000 1.148 1088 Y CB -0.234 38.260 38.460 0.056 0.000 0.981 1088 Y HN 0.249 nan 8.280 nan 0.000 0.507 1089 L N -0.242 120.990 121.223 0.015 0.000 2.013 1089 L HA -0.325 4.015 4.340 -0.000 0.000 0.212 1089 L C 2.562 179.339 176.870 -0.155 0.000 1.073 1089 L CA 1.686 56.452 54.840 -0.124 0.000 0.753 1089 L CB -0.701 41.249 42.059 -0.180 0.000 0.890 1089 L HN 0.184 nan 8.230 nan 0.000 0.432 1090 S N -0.704 114.930 115.700 -0.109 0.000 2.359 1090 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 1090 S C 1.881 176.477 174.600 -0.007 0.000 1.035 1090 S CA 1.536 59.678 58.200 -0.096 0.000 1.018 1090 S CB -0.330 62.840 63.200 -0.049 0.000 0.876 1090 S HN 0.424 nan 8.310 nan 0.000 0.448 1091 E N 0.589 120.831 120.200 0.070 0.000 2.147 1091 E HA -0.183 4.166 4.350 -0.000 0.000 0.199 1091 E C 1.852 178.515 176.600 0.106 0.000 1.005 1091 E CA 0.855 57.330 56.400 0.125 0.000 0.810 1091 E CB -0.064 29.790 29.700 0.256 0.000 0.736 1091 E HN 0.225 nan 8.360 nan 0.000 0.460 1092 L N 0.420 121.686 121.223 0.071 0.000 1.989 1092 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 1092 L C 2.555 179.499 176.870 0.124 0.000 1.071 1092 L CA 1.970 56.857 54.840 0.078 0.000 0.749 1092 L CB -1.645 40.489 42.059 0.126 0.000 0.890 1092 L HN 0.217 nan 8.230 nan 0.000 0.431 1093 A N -0.416 122.492 122.820 0.147 0.000 1.917 1093 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 1093 A C 1.940 179.566 177.584 0.070 0.000 1.182 1093 A CA 2.102 54.213 52.037 0.124 0.000 0.633 1093 A CB -0.575 18.442 19.000 0.027 0.000 0.819 1093 A HN 0.474 nan 8.150 nan 0.000 0.448 1094 D N -0.726 119.705 120.400 0.051 0.000 2.269 1094 D HA -0.024 4.615 4.640 -0.000 0.000 0.208 1094 D C 2.036 178.366 176.300 0.049 0.000 0.963 1094 D CA 0.993 55.019 54.000 0.045 0.000 0.864 1094 D CB -0.170 40.653 40.800 0.039 0.000 0.936 1094 D HN 0.343 nan 8.370 nan 0.000 0.505 1095 S N -0.265 115.468 115.700 0.055 0.000 2.407 1095 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 1095 S C 0.812 175.433 174.600 0.034 0.000 1.036 1095 S CA 0.600 58.828 58.200 0.047 0.000 1.013 1095 S CB 0.293 63.514 63.200 0.035 0.000 0.820 1095 S HN 0.000 nan 8.310 nan 0.000 0.476 1096 V N 0.955 120.889 119.914 0.033 0.000 2.623 1096 V HA 0.280 4.400 4.120 -0.000 0.000 0.304 1096 V C -1.919 174.205 176.094 0.049 0.000 1.054 1096 V CA -1.470 60.854 62.300 0.039 0.000 0.882 1096 V CB 1.901 33.733 31.823 0.015 0.000 1.002 1096 V HN 0.045 nan 8.190 nan 0.000 0.424 1097 P HA 0.007 nan 4.420 nan 0.000 0.203 1097 P C 0.875 178.205 177.300 0.050 0.000 1.202 1097 P CA 0.689 63.818 63.100 0.048 0.000 0.917 1097 P CB 0.018 31.745 31.700 0.047 0.000 0.750 1098 T N -1.634 112.953 114.554 0.055 0.000 2.726 1098 T HA 0.415 4.765 4.350 -0.000 0.000 0.294 1098 T C 0.457 175.197 174.700 0.067 0.000 1.013 1098 T CA 0.109 62.243 62.100 0.056 0.000 0.996 1098 T CB -0.057 68.843 68.868 0.054 0.000 1.016 1098 T HN 0.114 nan 8.240 nan 0.000 0.529 1099 A N 0.621 123.480 122.820 0.066 0.000 2.568 1099 A HA 0.675 4.995 4.320 -0.000 0.000 0.287 1099 A C 1.310 178.944 177.584 0.083 0.000 0.967 1099 A CA 0.427 52.508 52.037 0.072 0.000 1.004 1099 A CB -0.273 18.759 19.000 0.054 0.000 1.233 1099 A HN 0.891 nan 8.150 nan 0.000 0.513 1100 A N 0.859 123.735 122.820 0.094 0.000 2.115 1100 A HA 0.054 4.374 4.320 -0.000 0.000 0.211 1100 A C 1.261 178.938 177.584 0.154 0.000 1.169 1100 A CA 0.825 52.925 52.037 0.104 0.000 0.787 1100 A CB -0.658 18.393 19.000 0.085 0.000 0.858 1100 A HN 0.735 nan 8.150 nan 0.000 0.474 1101 N N 0.700 119.506 118.700 0.177 0.000 2.466 1101 N HA 0.046 4.786 4.740 -0.000 0.000 0.211 1101 N C 0.641 176.349 175.510 0.329 0.000 1.256 1101 N CA 0.521 53.719 53.050 0.247 0.000 0.840 1101 N CB 0.132 38.713 38.487 0.157 0.000 1.079 1101 N HN 0.162 nan 8.380 nan 0.000 0.466 1102 V N -0.057 120.007 119.914 0.250 0.000 2.548 1102 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 1102 V C 2.463 178.673 176.094 0.194 0.000 1.055 1102 V CA 1.381 63.816 62.300 0.225 0.000 1.065 1102 V CB -0.780 31.124 31.823 0.135 0.000 0.681 1102 V HN 0.428 nan 8.190 nan 0.000 0.462 1103 E N 0.100 120.391 120.200 0.151 0.000 2.048 1103 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 1103 E C 2.154 178.698 176.600 -0.094 0.000 1.021 1103 E CA 2.378 58.764 56.400 -0.023 0.000 0.825 1103 E CB -0.212 29.401 29.700 -0.145 0.000 0.756 1103 E HN 0.758 nan 8.360 nan 0.000 0.454 1104 Y N -1.585 118.746 120.300 0.053 0.000 2.337 1104 Y HA -0.077 4.473 4.550 -0.000 0.000 0.293 1104 Y C 2.025 177.952 175.900 0.046 0.000 1.123 1104 Y CA 0.815 58.925 58.100 0.017 0.000 1.201 1104 Y CB -0.589 37.851 38.460 -0.034 0.000 1.011 1104 Y HN 0.191 nan 8.280 nan 0.000 0.545 1105 Y N -0.275 120.122 120.300 0.162 0.000 2.242 1105 Y HA -0.210 4.339 4.550 -0.000 0.000 0.291 1105 Y C 2.538 178.456 175.900 0.031 0.000 1.137 1105 Y CA 0.606 58.758 58.100 0.086 0.000 1.181 1105 Y CB -0.078 38.432 38.460 0.085 0.000 0.989 1105 Y HN 0.127 nan 8.280 nan 0.000 0.527 1106 A N 0.137 123.079 122.820 0.202 0.000 1.929 1106 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 1106 A C 2.151 179.737 177.584 0.002 0.000 1.176 1106 A CA 1.334 53.408 52.037 0.062 0.000 0.628 1106 A CB -0.675 18.357 19.000 0.054 0.000 0.816 1106 A HN 0.434 nan 8.150 nan 0.000 0.444 1107 R N -0.215 120.293 120.500 0.014 0.000 2.119 1107 R HA -0.173 4.167 4.340 -0.000 0.000 0.246 1107 R C 1.760 178.050 176.300 -0.016 0.000 1.146 1107 R CA 1.895 57.981 56.100 -0.024 0.000 0.962 1107 R CB -0.357 29.920 30.300 -0.038 0.000 0.863 1107 R HN 0.434 nan 8.270 nan 0.000 0.442 1108 I N 0.749 121.334 120.570 0.026 0.000 2.286 1108 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 1108 I C 2.361 178.460 176.117 -0.030 0.000 1.115 1108 I CA 1.059 62.370 61.300 0.017 0.000 1.392 1108 I CB -0.896 37.146 38.000 0.070 0.000 1.065 1108 I HN 0.088 nan 8.210 nan 0.000 0.418 1109 V N 0.601 120.475 119.914 -0.066 0.000 2.469 1109 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 1109 V C 2.510 178.496 176.094 -0.179 0.000 1.064 1109 V CA 1.858 64.051 62.300 -0.178 0.000 1.066 1109 V CB -0.720 30.887 31.823 -0.359 0.000 0.667 1109 V HN 0.470 nan 8.190 nan 0.000 0.461 1110 E N -0.100 120.018 120.200 -0.137 0.000 2.046 1110 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 1110 E C 2.273 178.829 176.600 -0.074 0.000 0.982 1110 E CA 0.927 57.261 56.400 -0.110 0.000 0.800 1110 E CB 0.046 29.693 29.700 -0.087 0.000 0.756 1110 E HN 0.605 nan 8.360 nan 0.000 0.449 1111 E N 0.893 121.059 120.200 -0.057 0.000 2.033 1111 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 1111 E C 2.048 178.623 176.600 -0.043 0.000 1.011 1111 E CA 1.240 57.615 56.400 -0.041 0.000 0.815 1111 E CB -0.233 29.449 29.700 -0.030 0.000 0.755 1111 E HN 0.036 nan 8.360 nan 0.000 0.451 1112 K N 0.750 121.120 120.400 -0.050 0.000 2.209 1112 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 1112 K C 2.157 178.731 176.600 -0.042 0.000 1.048 1112 K CA 0.761 57.018 56.287 -0.050 0.000 0.940 1112 K CB -0.605 31.857 32.500 -0.064 0.000 0.729 1112 K HN -0.002 nan 8.250 nan 0.000 0.451 1113 S N 0.066 115.735 115.700 -0.052 0.000 2.355 1113 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 1113 S C 1.715 176.302 174.600 -0.021 0.000 1.031 1113 S CA 0.679 58.858 58.200 -0.034 0.000 0.993 1113 S CB -0.224 62.938 63.200 -0.063 0.000 0.859 1113 S HN 0.135 nan 8.310 nan 0.000 0.453 1114 L N 2.042 123.248 121.223 -0.030 0.000 2.043 1114 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 1114 L C 2.300 179.161 176.870 -0.016 0.000 1.075 1114 L CA 1.480 56.307 54.840 -0.022 0.000 0.752 1114 L CB -0.936 41.108 42.059 -0.026 0.000 0.891 1114 L HN 0.352 nan 8.230 nan 0.000 0.432 1115 L N -0.203 121.010 121.223 -0.018 0.000 1.970 1115 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 1115 L C 2.728 179.595 176.870 -0.005 0.000 1.071 1115 L CA 2.289 57.120 54.840 -0.015 0.000 0.751 1115 L CB -1.235 40.812 42.059 -0.021 0.000 0.889 1115 L HN 0.483 nan 8.230 nan 0.000 0.432 1116 R N -0.288 120.215 120.500 0.005 0.000 2.193 1116 R HA -0.195 4.145 4.340 -0.000 0.000 0.229 1116 R C 2.148 178.459 176.300 0.018 0.000 1.110 1116 R CA 1.185 57.300 56.100 0.024 0.000 0.988 1116 R CB -0.510 29.829 30.300 0.064 0.000 0.871 1116 R HN 0.152 nan 8.270 nan 0.000 0.458 1117 R N 1.536 122.040 120.500 0.008 0.000 2.115 1117 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 1117 R C 2.026 178.324 176.300 -0.003 0.000 1.100 1117 R CA 1.109 57.210 56.100 0.002 0.000 0.980 1117 R CB -0.348 29.950 30.300 -0.004 0.000 0.875 1117 R HN 0.446 nan 8.270 nan 0.000 0.445 1118 L N 0.214 121.433 121.223 -0.006 0.000 2.084 1118 L HA 0.063 4.403 4.340 -0.000 0.000 0.202 1118 L C 1.961 178.825 176.870 -0.009 0.000 1.074 1118 L CA 1.288 56.122 54.840 -0.010 0.000 0.757 1118 L CB -0.386 41.665 42.059 -0.012 0.000 0.918 1118 L HN 0.311 nan 8.230 nan 0.000 0.444 1119 I N -1.555 119.012 120.570 -0.006 0.000 2.530 1119 I HA -0.225 3.945 4.170 -0.000 0.000 0.257 1119 I C 2.566 178.680 176.117 -0.004 0.000 1.179 1119 I CA 1.530 62.827 61.300 -0.005 0.000 1.440 1119 I CB -0.849 37.151 38.000 -0.001 0.000 1.087 1119 I HN 0.260 nan 8.210 nan 0.000 0.440 1120 R N 0.511 121.011 120.500 -0.000 0.000 2.062 1120 R HA -0.108 4.232 4.340 -0.000 0.000 0.226 1120 R C 2.353 178.648 176.300 -0.008 0.000 1.125 1120 R CA 1.829 57.929 56.100 -0.000 0.000 0.966 1120 R CB -0.641 29.662 30.300 0.005 0.000 0.861 1120 R HN 0.500 nan 8.270 nan 0.000 0.433 1121 T N 0.075 114.623 114.554 -0.010 0.000 2.904 1121 T HA 0.021 4.371 4.350 -0.000 0.000 0.267 1121 T C 1.692 176.380 174.700 -0.021 0.000 1.059 1121 T CA 1.194 63.286 62.100 -0.014 0.000 1.137 1121 T CB -0.099 68.761 68.868 -0.013 0.000 0.879 1121 T HN 0.413 nan 8.240 nan 0.000 0.467 1122 A N 0.637 123.444 122.820 -0.022 0.000 1.841 1122 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 1122 A C 2.553 180.113 177.584 -0.040 0.000 1.195 1122 A CA 2.200 54.219 52.037 -0.030 0.000 0.611 1122 A CB -1.328 17.656 19.000 -0.027 0.000 0.835 1122 A HN 0.514 nan 8.150 nan 0.000 0.443 1123 T N -0.155 114.379 114.554 -0.034 0.000 2.897 1123 T HA -0.120 4.230 4.350 -0.000 0.000 0.271 1123 T C 2.129 176.802 174.700 -0.044 0.000 1.084 1123 T CA 1.531 63.606 62.100 -0.040 0.000 1.123 1123 T CB -0.287 68.568 68.868 -0.022 0.000 0.865 1123 T HN 0.519 nan 8.240 nan 0.000 0.496 1124 S N 0.598 116.278 115.700 -0.033 0.000 2.383 1124 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 1124 S C 1.977 176.551 174.600 -0.044 0.000 1.026 1124 S CA 0.653 58.835 58.200 -0.029 0.000 0.981 1124 S CB -0.379 62.809 63.200 -0.020 0.000 0.818 1124 S HN 0.504 nan 8.310 nan 0.000 0.472 1125 I N 1.515 122.054 120.570 -0.052 0.000 2.315 1125 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 1125 I C 2.761 178.814 176.117 -0.108 0.000 1.117 1125 I CA 0.978 62.239 61.300 -0.064 0.000 1.404 1125 I CB -0.512 37.453 38.000 -0.058 0.000 1.071 1125 I HN 0.377 nan 8.210 nan 0.000 0.419 1126 A N 0.402 123.139 122.820 -0.140 0.000 1.845 1126 A HA -0.283 4.037 4.320 -0.000 0.000 0.215 1126 A C 2.236 179.644 177.584 -0.293 0.000 1.195 1126 A CA 1.715 53.594 52.037 -0.262 0.000 0.616 1126 A CB -0.778 18.079 19.000 -0.238 0.000 0.832 1126 A HN 0.436 nan 8.150 nan 0.000 0.443 1127 Q N -0.660 119.054 119.800 -0.144 0.000 2.234 1127 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 1127 Q C 1.411 177.397 176.000 -0.023 0.000 0.980 1127 Q CA 1.424 57.198 55.803 -0.049 0.000 0.869 1127 Q CB -0.187 28.549 28.738 -0.003 0.000 0.912 1127 Q HN 0.612 nan 8.270 nan 0.000 0.436 1128 D N -0.431 119.940 120.400 -0.048 0.000 2.117 1128 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 1128 D C 1.828 178.120 176.300 -0.015 0.000 0.982 1128 D CA 1.339 55.326 54.000 -0.022 0.000 0.828 1128 D CB -0.480 40.303 40.800 -0.028 0.000 0.967 1128 D HN 0.348 nan 8.370 nan 0.000 0.464 1129 G N -0.253 108.509 108.800 -0.064 0.000 2.453 1129 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.215 1129 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.215 1129 G C 1.524 176.476 174.900 0.088 0.000 1.201 1129 G CA 0.414 45.494 45.100 -0.033 0.000 0.784 1129 G HN 0.356 nan 8.290 nan 0.000 0.545 1130 Y N 0.086 120.387 120.300 0.001 0.000 2.365 1130 Y HA -0.142 4.408 4.550 -0.000 0.000 0.287 1130 Y C 3.119 179.020 175.900 0.001 0.000 1.162 1130 Y CA 0.958 59.059 58.100 0.001 0.000 1.260 1130 Y CB 0.123 38.584 38.460 0.001 0.000 0.976 1130 Y HN 0.355 nan 8.280 nan 0.000 0.548 1131 T N -0.656 113.992 114.554 0.158 0.000 3.019 1131 T HA 0.074 4.424 4.350 -0.000 0.000 0.247 1131 T C 0.371 175.104 174.700 0.055 0.000 0.992 1131 T CA -0.409 61.744 62.100 0.089 0.000 1.036 1131 T CB 0.220 69.131 68.868 0.072 0.000 1.063 1131 T HN 0.256 nan 8.240 nan 0.000 0.476 1132 R N 2.046 122.573 120.500 0.045 0.000 2.215 1132 R HA 0.576 4.916 4.340 -0.000 0.000 0.337 1132 R C -0.796 175.520 176.300 0.026 0.000 1.010 1132 R CA -0.523 55.595 56.100 0.029 0.000 0.871 1132 R CB 0.737 31.049 30.300 0.020 0.000 1.134 1132 R HN 0.005 nan 8.270 nan 0.000 0.477 1133 E N 2.872 123.087 120.200 0.025 0.000 1.998 1133 E HA 0.127 4.477 4.350 -0.000 0.000 0.257 1133 E C -1.168 175.441 176.600 0.016 0.000 1.038 1133 E CA -0.431 55.982 56.400 0.022 0.000 0.869 1133 E CB 0.529 30.242 29.700 0.022 0.000 1.135 1133 E HN 0.645 nan 8.360 nan 0.000 0.430 1134 D N 4.081 124.489 120.400 0.013 0.000 2.943 1134 D HA 0.112 4.752 4.640 -0.000 0.000 0.347 1134 D C -1.115 175.190 176.300 0.009 0.000 1.305 1134 D CA -0.089 53.918 54.000 0.010 0.000 0.870 1134 D CB -0.004 40.801 40.800 0.009 0.000 1.081 1134 D HN 0.598 nan 8.370 nan 0.000 0.492 1135 E N 1.375 121.581 120.200 0.010 0.000 6.822 1135 E HA -0.202 4.148 4.350 -0.000 0.000 0.220 1135 E C 0.212 176.817 176.600 0.008 0.000 1.203 1135 E CA -0.195 56.210 56.400 0.009 0.000 1.484 1135 E CB -0.223 29.482 29.700 0.008 0.000 0.945 1135 E HN 0.138 nan 8.360 nan 0.000 0.289 1136 I N 3.669 124.244 120.570 0.009 0.000 2.502 1136 I HA -0.238 3.932 4.170 -0.000 0.000 0.258 1136 I C 1.868 177.987 176.117 0.004 0.000 1.172 1136 I CA 1.419 62.723 61.300 0.007 0.000 1.430 1136 I CB -1.115 36.890 38.000 0.009 0.000 1.086 1136 I HN 0.591 nan 8.210 nan 0.000 0.440 1137 D N 0.628 121.030 120.400 0.004 0.000 2.133 1137 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 1137 D C 2.350 178.649 176.300 -0.001 0.000 0.997 1137 D CA 1.174 55.176 54.000 0.002 0.000 0.840 1137 D CB -0.063 40.739 40.800 0.004 0.000 0.947 1137 D HN 0.261 nan 8.370 nan 0.000 0.452 1138 V N 2.190 122.105 119.914 0.001 0.000 2.273 1138 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 1138 V C 2.300 178.391 176.094 -0.004 0.000 1.035 1138 V CA 0.931 63.230 62.300 -0.001 0.000 1.013 1138 V CB -0.285 31.538 31.823 0.001 0.000 0.652 1138 V HN 0.147 nan 8.190 nan 0.000 0.452 1139 L N -0.646 120.576 121.223 -0.003 0.000 2.265 1139 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 1139 L C 2.312 179.176 176.870 -0.010 0.000 1.117 1139 L CA 1.938 56.774 54.840 -0.006 0.000 0.782 1139 L CB -2.145 39.911 42.059 -0.005 0.000 0.914 1139 L HN 0.378 nan 8.230 nan 0.000 0.441 1140 L N 0.808 122.026 121.223 -0.008 0.000 2.156 1140 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 1140 L C 2.156 179.019 176.870 -0.012 0.000 1.095 1140 L CA 1.730 56.563 54.840 -0.011 0.000 0.770 1140 L CB -0.452 41.603 42.059 -0.007 0.000 0.914 1140 L HN 0.320 nan 8.230 nan 0.000 0.439 1141 D N -0.928 119.466 120.400 -0.010 0.000 2.120 1141 D HA -0.229 4.411 4.640 -0.000 0.000 0.202 1141 D C 2.105 178.397 176.300 -0.012 0.000 0.972 1141 D CA 1.084 55.077 54.000 -0.012 0.000 0.837 1141 D CB 0.022 40.816 40.800 -0.011 0.000 0.989 1141 D HN 0.425 nan 8.370 nan 0.000 0.469 1142 E N -0.328 119.866 120.200 -0.011 0.000 2.160 1142 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 1142 E C 1.869 178.461 176.600 -0.014 0.000 0.991 1142 E CA 0.998 57.391 56.400 -0.011 0.000 0.810 1142 E CB -0.129 29.566 29.700 -0.009 0.000 0.742 1142 E HN 0.335 nan 8.360 nan 0.000 0.466 1143 A N 1.841 124.651 122.820 -0.016 0.000 1.877 1143 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 1143 A C 2.048 179.621 177.584 -0.018 0.000 1.186 1143 A CA 1.809 53.834 52.037 -0.020 0.000 0.620 1143 A CB -0.778 18.208 19.000 -0.023 0.000 0.822 1143 A HN 0.585 nan 8.150 nan 0.000 0.443 1144 E N 0.349 120.538 120.200 -0.017 0.000 2.160 1144 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 1144 E C 2.047 178.638 176.600 -0.016 0.000 0.991 1144 E CA 1.423 57.813 56.400 -0.017 0.000 0.810 1144 E CB -0.419 29.271 29.700 -0.017 0.000 0.742 1144 E HN 0.724 nan 8.360 nan 0.000 0.466 1145 R N 1.574 122.065 120.500 -0.015 0.000 2.073 1145 R HA -0.062 4.277 4.340 -0.000 0.000 0.229 1145 R C 2.023 178.315 176.300 -0.013 0.000 1.120 1145 R CA 1.407 57.499 56.100 -0.013 0.000 0.967 1145 R CB -0.112 30.181 30.300 -0.012 0.000 0.862 1145 R HN 0.028 nan 8.270 nan 0.000 0.436 1146 K N 0.308 120.700 120.400 -0.013 0.000 2.209 1146 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 1146 K C 1.945 178.536 176.600 -0.014 0.000 1.048 1146 K CA 1.474 57.753 56.287 -0.013 0.000 0.940 1146 K CB -0.083 32.408 32.500 -0.014 0.000 0.729 1146 K HN 0.304 nan 8.250 nan 0.000 0.451 1147 I N 0.443 121.004 120.570 -0.015 0.000 2.406 1147 I HA -0.191 3.979 4.170 -0.000 0.000 0.249 1147 I C 2.097 178.205 176.117 -0.015 0.000 1.122 1147 I CA 0.617 61.908 61.300 -0.016 0.000 1.431 1147 I CB -0.035 37.955 38.000 -0.017 0.000 1.087 1147 I HN 0.140 nan 8.210 nan 0.000 0.424 1148 M N -0.107 119.485 119.600 -0.015 0.000 2.213 1148 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 1148 M C 2.071 178.363 176.300 -0.013 0.000 1.062 1148 M CA 1.583 56.874 55.300 -0.014 0.000 1.105 1148 M CB -1.185 31.406 32.600 -0.014 0.000 1.385 1148 M HN 0.237 nan 8.290 nan 0.000 0.417 1149 E N -0.152 120.041 120.200 -0.012 0.000 2.150 1149 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 1149 E C 2.083 178.676 176.600 -0.011 0.000 0.985 1149 E CA 0.774 57.168 56.400 -0.011 0.000 0.814 1149 E CB 0.259 29.953 29.700 -0.009 0.000 0.752 1149 E HN 0.244 nan 8.360 nan 0.000 0.466 1150 V N -0.042 119.865 119.914 -0.012 0.000 2.379 1150 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 1150 V C 2.166 178.251 176.094 -0.014 0.000 1.035 1150 V CA 2.093 64.386 62.300 -0.012 0.000 1.035 1150 V CB 0.024 31.840 31.823 -0.012 0.000 0.673 1150 V HN 0.440 nan 8.190 nan 0.000 0.457 1151 S N -0.649 115.041 115.700 -0.015 0.000 2.356 1151 S HA -0.214 4.256 4.470 -0.000 0.000 0.219 1151 S C 2.048 176.637 174.600 -0.018 0.000 1.036 1151 S CA 1.423 59.613 58.200 -0.017 0.000 0.965 1151 S CB -0.632 62.558 63.200 -0.017 0.000 0.864 1151 S HN 0.560 nan 8.310 nan 0.000 0.471 1152 Q N 1.832 121.622 119.800 -0.017 0.000 2.096 1152 Q HA 0.029 4.369 4.340 -0.000 0.000 0.204 1152 Q C 0.144 176.133 176.000 -0.019 0.000 0.982 1152 Q CA 1.446 57.238 55.803 -0.019 0.000 0.850 1152 Q CB -0.092 28.635 28.738 -0.018 0.000 0.901 1152 Q HN 0.380 nan 8.270 nan 0.000 0.422 1153 R N 1.242 121.732 120.500 -0.017 0.000 2.393 1153 R HA 0.250 4.590 4.340 -0.000 0.000 0.315 1153 R C -0.744 175.547 176.300 -0.015 0.000 0.952 1153 R CA -0.662 55.429 56.100 -0.016 0.000 0.842 1153 R CB 1.235 31.527 30.300 -0.013 0.000 1.163 1153 R HN 0.042 nan 8.270 nan 0.000 0.450 1154 K N 2.953 123.343 120.400 -0.016 0.000 2.402 1154 K HA 0.249 4.569 4.320 -0.000 0.000 0.285 1154 K C -0.557 176.036 176.600 -0.011 0.000 1.054 1154 K CA 0.737 57.014 56.287 -0.017 0.000 1.001 1154 K CB -0.170 32.316 32.500 -0.022 0.000 0.946 1154 K HN 0.886 nan 8.250 nan 0.000 0.473 1159 F N 1.322 121.274 119.950 0.004 0.000 2.514 1159 F HA 0.412 4.939 4.527 -0.000 0.000 0.309 1159 F C 1.140 176.944 175.800 0.006 0.000 1.279 1159 F CA 0.784 58.786 58.000 0.005 0.000 1.304 1159 F CB 0.450 39.453 39.000 0.005 0.000 1.223 1159 F HN 0.217 nan 8.300 nan 0.000 0.563 1160 K N 0.795 121.339 120.400 0.240 0.000 2.345 1160 K HA 0.177 4.497 4.320 -0.000 0.000 0.255 1160 K C -0.059 176.605 176.600 0.107 0.000 0.934 1160 K CA -0.677 55.689 56.287 0.131 0.000 0.801 1160 K CB 1.492 34.041 32.500 0.081 0.000 1.137 1160 K HN 0.438 nan 8.250 nan 0.000 0.424 1161 N N 2.919 121.665 118.700 0.077 0.000 2.739 1161 N HA -0.200 4.540 4.740 -0.000 0.000 0.202 1161 N C 1.409 176.943 175.510 0.041 0.000 1.193 1161 N CA 0.406 53.487 53.050 0.052 0.000 0.959 1161 N CB -0.508 38.005 38.487 0.044 0.000 0.995 1161 N HN 0.666 nan 8.380 nan 0.000 0.451 1162 I N 0.295 120.892 120.570 0.045 0.000 2.482 1162 I HA -0.446 3.724 4.170 -0.000 0.000 0.266 1162 I C 2.186 178.322 176.117 0.030 0.000 1.044 1162 I CA 1.595 62.918 61.300 0.038 0.000 1.421 1162 I CB 0.107 38.128 38.000 0.035 0.000 1.087 1162 I HN 0.090 nan 8.210 nan 0.000 0.465 1163 K N 0.780 121.194 120.400 0.025 0.000 2.097 1163 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 1163 K C 1.526 178.143 176.600 0.029 0.000 1.050 1163 K CA 2.085 58.384 56.287 0.020 0.000 0.938 1163 K CB -0.323 32.184 32.500 0.012 0.000 0.718 1163 K HN 0.459 nan 8.250 nan 0.000 0.442 1164 D N 0.358 120.778 120.400 0.033 0.000 2.097 1164 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 1164 D C 1.942 178.269 176.300 0.044 0.000 0.984 1164 D CA 0.815 54.838 54.000 0.039 0.000 0.826 1164 D CB -0.117 40.705 40.800 0.037 0.000 0.973 1164 D HN -0.058 nan 8.370 nan 0.000 0.460 1165 V N 1.179 121.119 119.914 0.042 0.000 2.568 1165 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 1165 V C 2.378 178.501 176.094 0.048 0.000 1.072 1165 V CA 0.860 63.185 62.300 0.042 0.000 1.084 1165 V CB -0.207 31.640 31.823 0.040 0.000 0.676 1165 V HN 0.268 nan 8.190 nan 0.000 0.469 1166 L N -0.572 120.680 121.223 0.050 0.000 2.093 1166 L HA -0.097 4.242 4.340 -0.000 0.000 0.208 1166 L C 2.525 179.451 176.870 0.094 0.000 1.085 1166 L CA 1.663 56.540 54.840 0.061 0.000 0.755 1166 L CB -1.098 40.989 42.059 0.046 0.000 0.904 1166 L HN 0.229 nan 8.230 nan 0.000 0.435 1167 V N -0.172 119.795 119.914 0.089 0.000 2.278 1167 V HA -0.350 3.770 4.120 -0.000 0.000 0.251 1167 V C 2.626 178.795 176.094 0.126 0.000 1.062 1167 V CA 1.983 64.359 62.300 0.126 0.000 1.038 1167 V CB -0.586 31.291 31.823 0.089 0.000 0.646 1167 V HN 0.427 nan 8.190 nan 0.000 0.447 1168 Q N 0.237 120.082 119.800 0.075 0.000 2.170 1168 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 1168 Q C 2.076 178.100 176.000 0.040 0.000 0.976 1168 Q CA 2.409 58.239 55.803 0.046 0.000 0.858 1168 Q CB -0.658 28.101 28.738 0.035 0.000 0.907 1168 Q HN 0.717 nan 8.270 nan 0.000 0.433 1169 T N -0.371 114.222 114.554 0.065 0.000 3.023 1169 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 1169 T C 1.107 175.861 174.700 0.090 0.000 1.093 1169 T CA 1.028 63.166 62.100 0.063 0.000 1.129 1169 T CB -0.374 68.534 68.868 0.067 0.000 0.899 1169 T HN 0.402 nan 8.240 nan 0.000 0.491 1170 Y N 2.656 122.964 120.300 0.013 0.000 2.177 1170 Y HA -0.004 4.546 4.550 -0.000 0.000 0.291 1170 Y C 1.689 177.598 175.900 0.016 0.000 1.117 1170 Y CA 0.941 59.048 58.100 0.012 0.000 1.114 1170 Y CB -0.688 37.778 38.460 0.009 0.000 1.017 1170 Y HN 0.037 nan 8.280 nan 0.000 0.505 1171 D N 0.221 120.405 120.400 -0.359 0.000 2.172 1171 D HA -0.231 4.409 4.640 -0.000 0.000 0.196 1171 D C 1.842 177.975 176.300 -0.279 0.000 0.999 1171 D CA 1.761 55.523 54.000 -0.397 0.000 0.856 1171 D CB -0.551 40.169 40.800 -0.133 0.000 0.934 1171 D HN 0.459 nan 8.370 nan 0.000 0.453 1172 N N 0.104 118.713 118.700 -0.153 0.000 2.058 1172 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 1172 N C 1.744 177.200 175.510 -0.089 0.000 1.037 1172 N CA 0.791 53.791 53.050 -0.082 0.000 0.848 1172 N CB -0.186 38.284 38.487 -0.027 0.000 1.021 1172 N HN 0.183 nan 8.380 nan 0.000 0.422 1173 I N 0.323 120.837 120.570 -0.094 0.000 2.493 1173 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 1173 I C 2.061 178.130 176.117 -0.079 0.000 1.160 1173 I CA 1.044 62.318 61.300 -0.043 0.000 1.445 1173 I CB -0.151 37.868 38.000 0.032 0.000 1.086 1173 I HN 0.350 nan 8.210 nan 0.000 0.433 1174 E N 0.537 120.581 120.200 -0.260 0.000 2.110 1174 E HA -0.263 4.086 4.350 -0.000 0.000 0.193 1174 E C 2.211 178.758 176.600 -0.088 0.000 0.988 1174 E CA 1.535 57.796 56.400 -0.233 0.000 0.804 1174 E CB -0.014 29.416 29.700 -0.450 0.000 0.745 1174 E HN 0.528 nan 8.360 nan 0.000 0.458 1175 M N 0.150 119.694 119.600 -0.093 0.000 2.123 1175 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 1175 M C 2.337 178.629 176.300 -0.013 0.000 1.069 1175 M CA 0.662 55.933 55.300 -0.049 0.000 1.133 1175 M CB -0.198 32.374 32.600 -0.047 0.000 1.356 1175 M HN 0.194 nan 8.290 nan 0.000 0.415 1176 L N -0.150 121.075 121.223 0.004 0.000 2.197 1176 L HA -0.293 4.047 4.340 -0.000 0.000 0.215 1176 L C 2.240 179.158 176.870 0.080 0.000 1.095 1176 L CA 2.009 56.870 54.840 0.035 0.000 0.764 1176 L CB -0.955 41.129 42.059 0.041 0.000 0.897 1176 L HN 0.518 nan 8.230 nan 0.000 0.436 1177 H N -1.690 117.369 119.070 -0.019 0.000 2.311 1177 H HA 0.049 4.605 4.556 -0.000 0.000 0.289 1177 H C 0.667 175.987 175.328 -0.012 0.000 1.022 1177 H CA -0.349 55.694 56.048 -0.008 0.000 1.416 1177 H CB 0.464 30.228 29.762 0.003 0.000 1.480 1177 H HN 0.199 nan 8.280 nan 0.000 0.609 1178 N N 1.061 119.750 118.700 -0.019 0.000 2.424 1178 N HA 0.366 5.105 4.740 -0.000 0.000 0.257 1178 N C -0.096 175.367 175.510 -0.078 0.000 1.250 1178 N CA 1.140 54.142 53.050 -0.079 0.000 0.946 1178 N CB 0.953 39.462 38.487 0.038 0.000 1.175 1178 N HN 0.703 nan 8.380 nan 0.000 0.477 1184 T N 2.051 116.623 114.554 0.030 0.000 3.270 1184 T HA 0.364 4.713 4.350 -0.000 0.000 0.279 1184 T C 0.799 175.499 174.700 -0.000 0.000 0.857 1184 T CA 0.199 62.306 62.100 0.011 0.000 0.849 1184 T CB 0.850 69.722 68.868 0.007 0.000 1.241 1184 T HN 1.085 nan 8.240 nan 0.000 0.663 1185 G N 0.662 109.468 108.800 0.009 0.000 2.801 1185 G HA2 0.477 4.437 3.960 -0.000 0.000 0.191 1185 G HA3 0.477 4.437 3.960 -0.000 0.000 0.191 1185 G C -0.128 174.769 174.900 -0.004 0.000 1.223 1185 G CA -0.422 44.657 45.100 -0.036 0.000 0.904 1185 G HN 0.308 nan 8.290 nan 0.000 0.789 1186 I N 1.717 122.330 120.570 0.072 0.000 8.654 1186 I HA -0.152 4.018 4.170 -0.000 0.000 0.126 1186 I C -1.909 174.294 176.117 0.143 0.000 1.837 1186 I CA 0.016 61.388 61.300 0.121 0.000 2.076 1186 I CB -0.461 37.596 38.000 0.095 0.000 3.830 1186 I HN 0.227 nan 8.210 nan 0.000 0.181 1187 P HA 0.358 nan 4.420 nan 0.000 0.348 1187 P C 0.261 177.596 177.300 0.059 0.000 1.245 1187 P CA -0.148 63.078 63.100 0.211 0.000 0.789 1187 P CB 0.677 32.518 31.700 0.235 0.000 1.739 1188 T N -1.547 113.005 114.554 -0.003 0.000 3.783 1188 T HA 0.247 4.597 4.350 -0.000 0.000 0.438 1188 T C 1.149 175.782 174.700 -0.111 0.000 1.119 1188 T CA 0.654 62.713 62.100 -0.069 0.000 1.099 1188 T CB -1.132 67.690 68.868 -0.076 0.000 1.429 1188 T HN 0.499 nan 8.240 nan 0.000 0.503 1189 G N -0.444 108.280 108.800 -0.126 0.000 2.712 1189 G HA2 0.260 4.220 3.960 -0.000 0.000 0.258 1189 G HA3 0.260 4.220 3.960 -0.000 0.000 0.258 1189 G C -0.399 174.445 174.900 -0.093 0.000 1.241 1189 G CA -0.622 44.349 45.100 -0.215 0.000 0.923 1189 G HN 0.546 nan 8.290 nan 0.000 0.548 1190 F N 0.523 120.477 119.950 0.008 0.000 2.666 1190 F HA 0.302 4.829 4.527 -0.000 0.000 0.362 1190 F C 1.360 177.164 175.800 0.006 0.000 1.190 1190 F CA -0.646 57.358 58.000 0.007 0.000 1.328 1190 F CB -0.560 38.442 39.000 0.003 0.000 1.682 1190 F HN 0.291 nan 8.300 nan 0.000 0.623 1191 T N -0.627 114.034 114.554 0.179 0.000 2.893 1191 T HA 0.196 4.545 4.350 -0.000 0.000 0.281 1191 T C 1.543 176.297 174.700 0.091 0.000 1.027 1191 T CA -0.189 61.975 62.100 0.107 0.000 0.953 1191 T CB 0.903 69.815 68.868 0.074 0.000 1.434 1191 T HN 0.485 nan 8.240 nan 0.000 0.597 1192 E N 0.436 120.672 120.200 0.060 0.000 2.267 1192 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 1192 E C 2.015 178.643 176.600 0.048 0.000 0.998 1192 E CA 1.407 57.834 56.400 0.044 0.000 0.830 1192 E CB -0.571 29.146 29.700 0.028 0.000 0.751 1192 E HN 0.562 nan 8.360 nan 0.000 0.491 1193 L N 1.709 122.969 121.223 0.062 0.000 2.083 1193 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 1193 L C 2.235 179.146 176.870 0.068 0.000 1.083 1193 L CA 1.770 56.642 54.840 0.054 0.000 0.752 1193 L CB -0.604 41.490 42.059 0.059 0.000 0.899 1193 L HN 0.346 nan 8.230 nan 0.000 0.433 1194 D N 0.486 120.952 120.400 0.109 0.000 2.097 1194 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 1194 D C 2.005 178.353 176.300 0.079 0.000 0.984 1194 D CA 1.439 55.520 54.000 0.134 0.000 0.826 1194 D CB -0.420 40.514 40.800 0.223 0.000 0.973 1194 D HN 0.463 nan 8.370 nan 0.000 0.460 1195 R N 0.129 120.657 120.500 0.047 0.000 2.115 1195 R HA 0.031 4.371 4.340 -0.000 0.000 0.230 1195 R C 2.252 178.563 176.300 0.018 0.000 1.111 1195 R CA 0.787 56.895 56.100 0.013 0.000 0.976 1195 R CB -0.591 29.704 30.300 -0.008 0.000 0.870 1195 R HN 0.018 nan 8.270 nan 0.000 0.445 1196 M N 1.072 120.688 119.600 0.027 0.000 2.346 1196 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 1196 M C 1.322 177.638 176.300 0.028 0.000 1.064 1196 M CA 1.746 57.059 55.300 0.021 0.000 1.083 1196 M CB 0.236 32.846 32.600 0.016 0.000 1.399 1196 M HN 0.341 nan 8.290 nan 0.000 0.435 1197 T N -1.608 112.976 114.554 0.050 0.000 3.403 1197 T HA 0.179 4.529 4.350 -0.000 0.000 0.308 1197 T C -0.009 174.738 174.700 0.079 0.000 0.952 1197 T CA 0.498 62.642 62.100 0.072 0.000 0.970 1197 T CB -0.619 68.319 68.868 0.117 0.000 1.189 1197 T HN 0.461 nan 8.240 nan 0.000 0.528 1198 S N -0.052 115.681 115.700 0.055 0.000 3.356 1198 S HA 0.132 4.601 4.470 -0.000 0.000 0.376 1198 S C 1.528 176.170 174.600 0.070 0.000 0.924 1198 S CA 1.158 59.383 58.200 0.041 0.000 1.316 1198 S CB -2.212 60.999 63.200 0.018 0.000 0.922 1198 S HN 2.196 nan 8.310 nan 0.000 0.553 1199 G N 2.426 111.291 108.800 0.108 0.000 2.947 1199 G HA2 0.168 4.127 3.960 -0.000 0.000 0.251 1199 G HA3 0.168 4.127 3.960 -0.000 0.000 0.251 1199 G C -0.004 175.053 174.900 0.263 0.000 1.481 1199 G CA 0.365 45.550 45.100 0.141 0.000 1.006 1199 G HN 2.317 nan 8.290 nan 0.000 0.561 1200 F N 0.995 120.956 119.950 0.018 0.000 2.824 1200 F HA 0.317 4.844 4.527 -0.000 0.000 0.416 1200 F C -0.509 175.295 175.800 0.007 0.000 0.792 1200 F CA 0.846 58.854 58.000 0.014 0.000 1.393 1200 F CB -1.194 37.816 39.000 0.017 0.000 2.873 1200 F HN 1.219 nan 8.300 nan 0.000 0.409 1201 Q N 2.823 122.598 119.800 -0.041 0.000 2.252 1201 Q HA 0.628 4.968 4.340 -0.000 0.000 0.256 1201 Q C -0.197 175.756 176.000 -0.078 0.000 1.020 1201 Q CA 0.080 55.804 55.803 -0.131 0.000 0.913 1201 Q CB 1.557 30.248 28.738 -0.078 0.000 1.286 1201 Q HN 0.684 nan 8.270 nan 0.000 0.480 1202 R N 0.399 120.842 120.500 -0.094 0.000 1.669 1202 R HA -0.180 4.160 4.340 -0.000 0.000 0.371 1202 R C -0.284 175.989 176.300 -0.045 0.000 1.277 1202 R CA 0.780 56.842 56.100 -0.063 0.000 1.232 1202 R CB -2.717 27.559 30.300 -0.040 0.000 3.486 1202 R HN 1.432 nan 8.270 nan 0.000 0.481 1203 S N 0.049 115.720 115.700 -0.048 0.000 3.348 1203 S HA -0.282 4.188 4.470 -0.000 0.000 0.366 1203 S C -0.143 174.443 174.600 -0.023 0.000 0.953 1203 S CA 1.447 59.627 58.200 -0.034 0.000 1.255 1203 S CB -1.419 61.765 63.200 -0.027 0.000 0.906 1203 S HN 1.172 nan 8.310 nan 0.000 0.495 1204 D N -0.760 119.626 120.400 -0.022 0.000 2.559 1204 D HA 0.707 5.347 4.640 -0.000 0.000 0.250 1204 D C -0.652 175.653 176.300 0.008 0.000 1.135 1204 D CA -1.146 52.852 54.000 -0.003 0.000 0.955 1204 D CB 0.619 41.424 40.800 0.009 0.000 1.442 1204 D HN 0.299 nan 8.370 nan 0.000 0.471 1205 L N 0.266 121.499 121.223 0.018 0.000 2.307 1205 L HA 0.689 5.029 4.340 -0.000 0.000 0.284 1205 L C -1.278 175.621 176.870 0.049 0.000 1.023 1205 L CA -0.791 54.066 54.840 0.027 0.000 0.810 1205 L CB 1.262 43.327 42.059 0.009 0.000 1.231 1205 L HN 0.578 nan 8.230 nan 0.000 0.423 1206 I N 5.693 126.313 120.570 0.084 0.000 2.447 1206 I HA 0.571 4.740 4.170 -0.000 0.000 0.287 1206 I C -1.418 174.726 176.117 0.046 0.000 1.023 1206 I CA -0.339 61.016 61.300 0.093 0.000 1.083 1206 I CB 1.346 39.495 38.000 0.247 0.000 1.245 1206 I HN 0.523 nan 8.210 nan 0.000 0.434 1207 I N 7.773 128.324 120.570 -0.031 0.000 2.339 1207 I HA 0.427 4.596 4.170 -0.000 0.000 0.290 1207 I C -0.595 175.447 176.117 -0.126 0.000 0.994 1207 I CA -1.034 60.228 61.300 -0.063 0.000 1.191 1207 I CB 1.773 39.719 38.000 -0.089 0.000 1.343 1207 I HN 0.467 nan 8.210 nan 0.000 0.458 1208 V N 6.849 126.721 119.914 -0.069 0.000 2.370 1208 V HA 0.783 4.903 4.120 -0.000 0.000 0.283 1208 V C -0.031 176.017 176.094 -0.076 0.000 1.023 1208 V CA -0.173 62.079 62.300 -0.081 0.000 0.857 1208 V CB 1.317 33.179 31.823 0.066 0.000 0.985 1208 V HN 0.806 nan 8.190 nan 0.000 0.443 1209 A N 6.038 128.796 122.820 -0.104 0.000 2.288 1209 A HA 0.951 5.271 4.320 -0.000 0.000 0.320 1209 A C -0.046 177.572 177.584 0.057 0.000 1.217 1209 A CA -0.044 52.004 52.037 0.018 0.000 0.840 1209 A CB 1.291 20.405 19.000 0.190 0.000 1.179 1209 A HN 1.904 nan 8.150 nan 0.000 0.504 1210 A N 3.159 125.991 122.820 0.021 0.000 2.359 1210 A HA 0.675 4.995 4.320 -0.000 0.000 0.303 1210 A C 0.242 177.840 177.584 0.025 0.000 1.066 1210 A CA -0.636 51.414 52.037 0.022 0.000 0.730 1210 A CB 0.820 19.833 19.000 0.021 0.000 1.211 1210 A HN 0.921 nan 8.150 nan 0.000 0.439 1211 R N 1.556 122.073 120.500 0.029 0.000 2.783 1211 R HA 0.241 4.581 4.340 -0.000 0.000 0.276 1211 R C -1.969 174.362 176.300 0.051 0.000 1.223 1211 R CA -1.568 54.550 56.100 0.030 0.000 1.173 1211 R CB 0.179 30.487 30.300 0.014 0.000 1.157 1211 R HN 0.365 nan 8.270 nan 0.000 0.600 1212 P HA -0.013 nan 4.420 nan 0.000 0.238 1212 P C -0.723 176.608 177.300 0.052 0.000 1.649 1212 P CA 0.712 63.855 63.100 0.073 0.000 0.960 1212 P CB -0.043 31.693 31.700 0.061 0.000 1.911 1213 S N 1.177 116.908 115.700 0.051 0.000 3.697 1213 S HA 0.102 4.572 4.470 -0.000 0.000 0.207 1213 S C 0.696 175.322 174.600 0.043 0.000 1.459 1213 S CA -0.431 57.790 58.200 0.036 0.000 1.122 1213 S CB -1.232 61.982 63.200 0.024 0.000 1.311 1213 S HN 0.107 nan 8.310 nan 0.000 0.487 1214 V N 0.764 120.704 119.914 0.044 0.000 4.654 1214 V HA -0.248 3.872 4.120 -0.000 0.000 0.261 1214 V C 0.974 177.102 176.094 0.056 0.000 0.471 1214 V CA 0.614 62.940 62.300 0.042 0.000 0.802 1214 V CB -2.782 29.060 31.823 0.032 0.000 0.768 1214 V HN 1.163 nan 8.190 nan 0.000 1.286 1215 G N 0.553 109.401 108.800 0.079 0.000 2.415 1215 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.283 1215 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.283 1215 G C 0.075 175.037 174.900 0.104 0.000 1.014 1215 G CA 0.253 45.417 45.100 0.107 0.000 1.323 1215 G HN 0.547 nan 8.290 nan 0.000 0.502 1216 K N 0.931 121.394 120.400 0.106 0.000 3.277 1216 K HA 0.072 4.392 4.320 -0.000 0.000 0.291 1216 K C 1.884 178.572 176.600 0.147 0.000 0.994 1216 K CA 0.720 57.070 56.287 0.105 0.000 1.147 1216 K CB -0.364 32.176 32.500 0.067 0.000 1.185 1216 K HN 0.553 nan 8.250 nan 0.000 0.422 1217 T N -0.226 114.411 114.554 0.139 0.000 2.985 1217 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 1217 T C 1.960 176.734 174.700 0.123 0.000 1.076 1217 T CA 0.957 63.141 62.100 0.140 0.000 1.135 1217 T CB 0.125 69.067 68.868 0.123 0.000 0.890 1217 T HN 0.387 nan 8.240 nan 0.000 0.480 1218 A N 1.849 124.736 122.820 0.113 0.000 1.884 1218 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 1218 A C 1.968 179.615 177.584 0.104 0.000 1.197 1218 A CA 1.853 53.945 52.037 0.091 0.000 0.637 1218 A CB -1.256 17.796 19.000 0.087 0.000 0.827 1218 A HN 0.520 nan 8.150 nan 0.000 0.450 1219 F N 0.895 120.852 119.950 0.011 0.000 2.120 1219 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 1219 F C 2.475 178.275 175.800 0.001 0.000 1.095 1219 F CA 1.602 59.600 58.000 -0.003 0.000 1.249 1219 F CB -0.318 38.674 39.000 -0.014 0.000 0.995 1219 F HN 0.280 nan 8.300 nan 0.000 0.480 1220 A N 1.138 123.975 122.820 0.030 0.000 1.858 1220 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1220 A C 2.192 179.729 177.584 -0.077 0.000 1.190 1220 A CA 1.963 53.975 52.037 -0.042 0.000 0.617 1220 A CB -1.364 17.692 19.000 0.094 0.000 0.827 1220 A HN 0.640 nan 8.150 nan 0.000 0.443 1221 L N -2.572 118.635 121.223 -0.026 0.000 2.341 1221 L HA 0.085 4.425 4.340 -0.000 0.000 0.214 1221 L C 1.966 178.800 176.870 -0.059 0.000 1.115 1221 L CA 1.710 56.534 54.840 -0.027 0.000 0.820 1221 L CB -0.770 41.290 42.059 0.001 0.000 0.944 1221 L HN 0.453 nan 8.230 nan 0.000 0.452 1222 N N 0.682 119.332 118.700 -0.084 0.000 2.149 1222 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 1222 N C 1.906 177.339 175.510 -0.128 0.000 1.019 1222 N CA 1.197 54.193 53.050 -0.090 0.000 0.857 1222 N CB 0.076 38.515 38.487 -0.079 0.000 0.997 1222 N HN 0.326 nan 8.380 nan 0.000 0.426 1223 I N 1.120 121.565 120.570 -0.208 0.000 2.233 1223 I HA -0.141 4.029 4.170 -0.000 0.000 0.243 1223 I C 2.516 178.594 176.117 -0.065 0.000 1.093 1223 I CA 0.745 61.937 61.300 -0.179 0.000 1.380 1223 I CB -1.275 36.548 38.000 -0.296 0.000 1.067 1223 I HN 0.152 nan 8.210 nan 0.000 0.413 1224 A N 0.210 123.002 122.820 -0.046 0.000 1.948 1224 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 1224 A C 2.307 179.878 177.584 -0.022 0.000 1.177 1224 A CA 2.116 54.148 52.037 -0.008 0.000 0.636 1224 A CB -0.764 18.237 19.000 0.001 0.000 0.815 1224 A HN 0.552 nan 8.150 nan 0.000 0.449 1225 Q N -0.399 119.377 119.800 -0.039 0.000 1.990 1225 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 1225 Q C 1.967 177.940 176.000 -0.045 0.000 0.980 1225 Q CA 1.578 57.355 55.803 -0.042 0.000 0.832 1225 Q CB -0.208 28.501 28.738 -0.048 0.000 0.897 1225 Q HN 0.687 nan 8.270 nan 0.000 0.427 1226 N N -0.094 118.573 118.700 -0.055 0.000 2.060 1226 N HA -0.186 4.554 4.740 -0.000 0.000 0.195 1226 N C 1.878 177.363 175.510 -0.042 0.000 1.028 1226 N CA 1.719 54.733 53.050 -0.060 0.000 0.861 1226 N CB -0.371 38.070 38.487 -0.076 0.000 1.029 1226 N HN 0.136 nan 8.380 nan 0.000 0.428 1227 V N 1.437 121.338 119.914 -0.023 0.000 2.332 1227 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 1227 V C 2.416 178.501 176.094 -0.013 0.000 1.055 1227 V CA 2.054 64.348 62.300 -0.011 0.000 1.038 1227 V CB -0.887 30.934 31.823 -0.004 0.000 0.651 1227 V HN 0.340 nan 8.190 nan 0.000 0.450 1228 A N -0.969 121.843 122.820 -0.015 0.000 1.861 1228 A HA -0.142 4.178 4.320 -0.000 0.000 0.212 1228 A C 2.440 180.010 177.584 -0.022 0.000 1.199 1228 A CA 2.070 54.100 52.037 -0.011 0.000 0.613 1228 A CB -0.920 18.074 19.000 -0.010 0.000 0.846 1228 A HN 0.424 nan 8.150 nan 0.000 0.446 1229 T N -1.202 113.331 114.554 -0.034 0.000 2.732 1229 T HA -0.087 4.263 4.350 -0.000 0.000 0.261 1229 T C 2.031 176.707 174.700 -0.041 0.000 1.040 1229 T CA 1.899 63.975 62.100 -0.040 0.000 1.145 1229 T CB -0.184 68.656 68.868 -0.047 0.000 0.866 1229 T HN 0.414 nan 8.240 nan 0.000 0.427 1230 K N -0.643 119.728 120.400 -0.049 0.000 2.243 1230 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 1230 K C 2.360 178.931 176.600 -0.048 0.000 1.051 1230 K CA 0.984 57.235 56.287 -0.059 0.000 0.970 1230 K CB -0.098 32.349 32.500 -0.089 0.000 0.755 1230 K HN 0.233 nan 8.250 nan 0.000 0.465 1231 T N -0.323 114.210 114.554 -0.034 0.000 2.939 1231 T HA -0.039 4.311 4.350 -0.000 0.000 0.254 1231 T C 0.666 175.364 174.700 -0.004 0.000 1.041 1231 T CA 0.888 62.980 62.100 -0.014 0.000 1.142 1231 T CB -0.023 68.841 68.868 -0.007 0.000 0.874 1231 T HN 0.436 nan 8.240 nan 0.000 0.452 1232 N N 0.075 118.770 118.700 -0.007 0.000 3.041 1232 N HA -0.119 4.621 4.740 -0.000 0.000 0.238 1232 N C -1.069 174.443 175.510 0.004 0.000 1.005 1232 N CA 0.294 53.343 53.050 -0.002 0.000 0.919 1232 N CB -0.626 37.861 38.487 0.000 0.000 1.104 1232 N HN 0.305 nan 8.380 nan 0.000 0.551 1233 E N 0.694 120.896 120.200 0.003 0.000 2.284 1233 E HA 0.492 4.842 4.350 -0.000 0.000 0.255 1233 E C -0.152 176.458 176.600 0.017 0.000 1.052 1233 E CA -0.282 56.119 56.400 0.003 0.000 0.904 1233 E CB 0.594 30.288 29.700 -0.009 0.000 1.217 1233 E HN 0.271 nan 8.360 nan 0.000 0.438 1234 N N -0.961 117.751 118.700 0.020 0.000 2.459 1234 N HA 0.642 5.382 4.740 -0.000 0.000 0.288 1234 N C -1.457 174.076 175.510 0.038 0.000 1.186 1234 N CA -0.747 52.339 53.050 0.059 0.000 0.917 1234 N CB 2.155 40.677 38.487 0.058 0.000 1.219 1234 N HN 0.093 nan 8.380 nan 0.000 0.525 1235 V N 0.095 120.059 119.914 0.082 0.000 2.817 1235 V HA 0.713 4.832 4.120 -0.000 0.000 0.303 1235 V C -1.590 174.547 176.094 0.072 0.000 1.151 1235 V CA -0.436 61.894 62.300 0.049 0.000 0.929 1235 V CB 1.516 33.356 31.823 0.028 0.000 1.030 1235 V HN 0.765 nan 8.190 nan 0.000 0.427 1236 A N 7.393 130.233 122.820 0.033 0.000 2.256 1236 A HA 0.817 5.137 4.320 -0.000 0.000 0.317 1236 A C -0.671 176.890 177.584 -0.038 0.000 1.318 1236 A CA -0.445 51.578 52.037 -0.025 0.000 0.894 1236 A CB 0.668 19.665 19.000 -0.004 0.000 1.165 1236 A HN 1.157 nan 8.150 nan 0.000 0.525 1237 I N 1.963 122.446 120.570 -0.145 0.000 2.460 1237 I HA 0.678 4.847 4.170 -0.000 0.000 0.298 1237 I C -1.542 174.424 176.117 -0.251 0.000 0.989 1237 I CA -1.031 60.230 61.300 -0.064 0.000 1.173 1237 I CB 1.284 39.271 38.000 -0.023 0.000 1.338 1237 I HN 0.582 nan 8.210 nan 0.000 0.456 1238 F N 5.447 125.425 119.950 0.045 0.000 2.496 1238 F HA 0.308 4.835 4.527 -0.000 0.000 0.341 1238 F C 0.143 175.971 175.800 0.048 0.000 1.134 1238 F CA -0.486 57.541 58.000 0.044 0.000 0.968 1238 F CB 1.929 40.953 39.000 0.041 0.000 1.205 1238 F HN 0.246 nan 8.300 nan 0.000 0.436 1239 S N 4.192 119.996 115.700 0.174 0.000 2.461 1239 S HA 0.446 4.916 4.470 -0.000 0.000 0.322 1239 S C 0.421 175.094 174.600 0.121 0.000 1.063 1239 S CA -0.500 57.777 58.200 0.128 0.000 1.120 1239 S CB 0.393 63.635 63.200 0.070 0.000 0.968 1239 S HN 0.618 nan 8.310 nan 0.000 0.467 1240 L N 4.179 125.476 121.223 0.124 0.000 2.477 1240 L HA 0.339 4.679 4.340 -0.000 0.000 0.220 1240 L C 2.382 179.280 176.870 0.046 0.000 1.106 1240 L CA 0.701 55.597 54.840 0.093 0.000 0.851 1240 L CB -0.188 41.929 42.059 0.097 0.000 0.994 1240 L HN 0.606 nan 8.230 nan 0.000 0.462 1241 E N 0.617 120.832 120.200 0.025 0.000 2.035 1241 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 1241 E C 1.151 177.742 176.600 -0.014 0.000 0.966 1241 E CA 0.510 56.893 56.400 -0.028 0.000 0.823 1241 E CB 0.106 29.747 29.700 -0.098 0.000 0.791 1241 E HN 0.343 nan 8.360 nan 0.000 0.459 1242 M N 0.494 120.091 119.600 -0.004 0.000 2.154 1242 M HA 0.303 4.783 4.480 -0.000 0.000 0.251 1242 M C 0.641 176.947 176.300 0.010 0.000 1.200 1242 M CA -0.532 54.768 55.300 -0.000 0.000 0.967 1242 M CB 0.773 33.374 32.600 0.001 0.000 1.362 1242 M HN -0.076 nan 8.290 nan 0.000 0.522 1243 S N -0.132 115.571 115.700 0.006 0.000 2.693 1243 S HA 0.659 5.129 4.470 -0.000 0.000 0.276 1243 S C 0.829 175.430 174.600 0.002 0.000 1.192 1243 S CA -0.438 57.765 58.200 0.006 0.000 0.994 1243 S CB 1.266 64.467 63.200 0.002 0.000 1.012 1243 S HN 0.831 nan 8.310 nan 0.000 0.550 1244 A N 0.739 123.557 122.820 -0.003 0.000 1.841 1244 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 1244 A C 2.221 179.795 177.584 -0.015 0.000 1.195 1244 A CA 1.642 53.671 52.037 -0.013 0.000 0.611 1244 A CB -1.485 17.502 19.000 -0.022 0.000 0.835 1244 A HN 0.819 nan 8.150 nan 0.000 0.443 1245 Q N -0.559 119.233 119.800 -0.013 0.000 2.152 1245 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 1245 Q C 2.179 178.174 176.000 -0.009 0.000 0.985 1245 Q CA 1.939 57.734 55.803 -0.013 0.000 0.863 1245 Q CB -0.313 28.419 28.738 -0.009 0.000 0.904 1245 Q HN 0.808 nan 8.270 nan 0.000 0.422 1246 Q N -0.274 119.523 119.800 -0.005 0.000 2.096 1246 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 1246 Q C 1.802 177.801 176.000 -0.001 0.000 0.982 1246 Q CA 1.649 57.451 55.803 -0.001 0.000 0.850 1246 Q CB -0.057 28.681 28.738 0.000 0.000 0.901 1246 Q HN 0.500 nan 8.270 nan 0.000 0.422 1247 L N -2.012 119.209 121.223 -0.002 0.000 2.127 1247 L HA 0.005 4.344 4.340 -0.000 0.000 0.203 1247 L C 2.234 179.098 176.870 -0.011 0.000 1.080 1247 L CA 1.095 55.934 54.840 -0.002 0.000 0.768 1247 L CB -1.529 40.532 42.059 0.002 0.000 0.924 1247 L HN 0.061 nan 8.230 nan 0.000 0.444 1248 V N -2.689 117.213 119.914 -0.019 0.000 2.594 1248 V HA -0.219 3.901 4.120 -0.000 0.000 0.253 1248 V C 2.528 178.608 176.094 -0.023 0.000 1.069 1248 V CA 1.998 64.282 62.300 -0.028 0.000 1.082 1248 V CB -1.026 30.774 31.823 -0.037 0.000 0.680 1248 V HN 0.557 nan 8.190 nan 0.000 0.469 1249 M N 0.615 120.206 119.600 -0.015 0.000 2.200 1249 M HA 0.109 4.589 4.480 -0.000 0.000 0.265 1249 M C 2.186 178.481 176.300 -0.008 0.000 1.066 1249 M CA 1.730 57.023 55.300 -0.010 0.000 1.127 1249 M CB -0.601 31.997 32.600 -0.004 0.000 1.379 1249 M HN 0.269 nan 8.290 nan 0.000 0.420 1250 R N -0.565 119.931 120.500 -0.005 0.000 2.148 1250 R HA 0.036 4.376 4.340 -0.000 0.000 0.223 1250 R C 1.820 178.117 176.300 -0.005 0.000 1.088 1250 R CA 1.284 57.383 56.100 -0.001 0.000 0.985 1250 R CB -0.237 30.067 30.300 0.006 0.000 0.880 1250 R HN 0.361 nan 8.270 nan 0.000 0.451 1251 M N -0.587 119.005 119.600 -0.013 0.000 2.132 1251 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 1251 M C 1.595 177.880 176.300 -0.023 0.000 1.065 1251 M CA 1.183 56.471 55.300 -0.020 0.000 1.122 1251 M CB -0.558 32.024 32.600 -0.029 0.000 1.365 1251 M HN 0.113 nan 8.290 nan 0.000 0.411 1252 L N -0.144 121.064 121.223 -0.024 0.000 2.191 1252 L HA -0.169 4.170 4.340 -0.000 0.000 0.212 1252 L C 2.752 179.611 176.870 -0.019 0.000 1.103 1252 L CA 1.284 56.108 54.840 -0.027 0.000 0.769 1252 L CB -1.335 40.708 42.059 -0.027 0.000 0.908 1252 L HN 0.448 nan 8.230 nan 0.000 0.438 1253 C N -0.891 118.402 119.300 -0.011 0.000 2.419 1253 C HA -0.086 4.374 4.460 -0.000 0.000 0.281 1253 C C 2.904 177.890 174.990 -0.007 0.000 1.336 1253 C CA 0.702 59.717 59.018 -0.005 0.000 1.770 1253 C CB -0.993 26.748 27.740 0.001 0.000 1.929 1253 C HN 0.559 nan 8.230 nan 0.000 0.509 1254 A N -0.581 122.232 122.820 -0.011 0.000 1.935 1254 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 1254 A C 2.262 179.834 177.584 -0.020 0.000 1.178 1254 A CA 1.120 53.149 52.037 -0.012 0.000 0.640 1254 A CB -0.493 18.498 19.000 -0.015 0.000 0.825 1254 A HN 0.631 nan 8.150 nan 0.000 0.447 1255 E N -0.359 119.826 120.200 -0.026 0.000 2.016 1255 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 1255 E C 1.863 178.446 176.600 -0.029 0.000 0.985 1255 E CA 1.257 57.637 56.400 -0.032 0.000 0.802 1255 E CB -0.384 29.292 29.700 -0.040 0.000 0.762 1255 E HN 0.488 nan 8.360 nan 0.000 0.448 1256 G N 1.427 110.211 108.800 -0.027 0.000 3.371 1256 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.248 1256 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.248 1256 G C 0.158 175.050 174.900 -0.014 0.000 1.161 1256 G CA 0.237 45.323 45.100 -0.024 0.000 0.796 1256 G HN 0.391 nan 8.290 nan 0.000 0.539 1257 N N -0.566 118.127 118.700 -0.011 0.000 2.693 1257 N HA -0.285 4.455 4.740 -0.000 0.000 0.250 1257 N C 0.262 175.771 175.510 -0.001 0.000 1.033 1257 N CA 0.741 53.788 53.050 -0.005 0.000 0.747 1257 N CB -1.866 36.618 38.487 -0.004 0.000 0.964 1257 N HN 0.525 nan 8.380 nan 0.000 0.540 1258 I N -0.362 120.208 120.570 -0.001 0.000 2.505 1258 I HA -0.021 4.149 4.170 -0.000 0.000 0.287 1258 I C 0.475 176.596 176.117 0.007 0.000 1.104 1258 I CA -0.294 61.009 61.300 0.005 0.000 1.387 1258 I CB 0.180 38.183 38.000 0.006 0.000 1.404 1258 I HN 0.284 nan 8.210 nan 0.000 0.528 1259 N N 7.386 126.091 118.700 0.009 0.000 2.360 1259 N HA -0.048 4.692 4.740 -0.000 0.000 0.292 1259 N C -0.154 175.362 175.510 0.011 0.000 1.330 1259 N CA 0.130 53.186 53.050 0.010 0.000 1.009 1259 N CB 0.294 38.787 38.487 0.010 0.000 1.419 1259 N HN 0.743 nan 8.380 nan 0.000 0.487 1260 A N 4.099 126.925 122.820 0.010 0.000 2.553 1260 A HA 0.136 4.456 4.320 -0.000 0.000 0.258 1260 A C 0.313 177.904 177.584 0.011 0.000 1.069 1260 A CA 0.334 52.377 52.037 0.010 0.000 0.767 1260 A CB -0.047 18.958 19.000 0.009 0.000 0.997 1260 A HN 0.876 nan 8.150 nan 0.000 0.512 1261 Q N 1.581 121.388 119.800 0.011 0.000 3.109 1261 Q HA 0.290 4.630 4.340 -0.000 0.000 0.332 1261 Q C -1.152 174.858 176.000 0.016 0.000 0.848 1261 Q CA -0.300 55.510 55.803 0.012 0.000 0.904 1261 Q CB -0.045 28.700 28.738 0.011 0.000 1.475 1261 Q HN 0.640 nan 8.270 nan 0.000 0.510 1262 N N -0.665 118.045 118.700 0.016 0.000 2.509 1262 N HA 0.730 5.470 4.740 -0.000 0.000 0.280 1262 N C -0.814 174.707 175.510 0.017 0.000 1.306 1262 N CA -0.447 52.616 53.050 0.022 0.000 0.782 1262 N CB 0.981 39.481 38.487 0.023 0.000 1.493 1262 N HN 0.547 nan 8.380 nan 0.000 0.498 1263 L N 0.080 121.314 121.223 0.018 0.000 3.033 1263 L HA -0.185 4.155 4.340 -0.000 0.000 0.444 1263 L C 1.659 178.537 176.870 0.012 0.000 0.734 1263 L CA 0.697 55.545 54.840 0.013 0.000 2.664 1263 L CB -1.424 40.641 42.059 0.010 0.000 1.041 1263 L HN 0.652 nan 8.230 nan 0.000 0.631 1264 R N 0.964 121.473 120.500 0.016 0.000 2.228 1264 R HA -0.144 4.196 4.340 -0.000 0.000 0.259 1264 R C 1.337 177.645 176.300 0.013 0.000 1.183 1264 R CA 2.590 58.699 56.100 0.015 0.000 1.002 1264 R CB -0.220 30.092 30.300 0.020 0.000 0.879 1264 R HN 0.576 nan 8.270 nan 0.000 0.467 1265 T N -3.464 111.097 114.554 0.012 0.000 3.253 1265 T HA 0.429 4.779 4.350 -0.000 0.000 0.299 1265 T C 0.577 175.277 174.700 0.000 0.000 0.927 1265 T CA 0.034 62.137 62.100 0.006 0.000 0.926 1265 T CB 1.402 70.274 68.868 0.007 0.000 1.183 1265 T HN 0.403 nan 8.240 nan 0.000 0.557 1266 G N 2.494 111.295 108.800 0.003 0.000 3.038 1266 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.197 1266 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.197 1266 G C 0.804 175.705 174.900 0.002 0.000 1.925 1266 G CA 0.198 45.297 45.100 -0.002 0.000 1.405 1266 G HN 0.330 nan 8.290 nan 0.000 0.524 1267 K N 0.061 120.462 120.400 0.002 0.000 2.286 1267 K HA 0.559 4.879 4.320 -0.000 0.000 0.203 1267 K C 0.727 177.344 176.600 0.029 0.000 1.078 1267 K CA 1.468 57.761 56.287 0.010 0.000 0.957 1267 K CB 0.653 33.151 32.500 -0.003 0.000 1.018 1267 K HN 0.893 nan 8.250 nan 0.000 0.484 1268 L N -2.323 118.919 121.223 0.032 0.000 3.133 1268 L HA 0.335 4.674 4.340 -0.000 0.000 0.289 1268 L C -1.211 175.689 176.870 0.050 0.000 1.012 1268 L CA -0.963 53.912 54.840 0.058 0.000 1.001 1268 L CB 0.850 42.975 42.059 0.110 0.000 1.580 1268 L HN -0.209 nan 8.230 nan 0.000 0.373 1269 T N 1.865 116.460 114.554 0.069 0.000 2.723 1269 T HA 0.345 4.695 4.350 -0.000 0.000 0.297 1269 T C -1.841 172.911 174.700 0.086 0.000 0.925 1269 T CA -0.562 61.574 62.100 0.059 0.000 1.030 1269 T CB 0.851 69.753 68.868 0.056 0.000 0.905 1269 T HN 0.636 nan 8.240 nan 0.000 0.502 1270 P HA -0.198 nan 4.420 nan 0.000 0.218 1270 P C 1.013 178.364 177.300 0.086 0.000 1.146 1270 P CA 1.222 64.330 63.100 0.014 0.000 0.813 1270 P CB 0.397 32.070 31.700 -0.044 0.000 0.778 1271 E N -0.412 119.839 120.200 0.084 0.000 2.102 1271 E HA -0.076 4.273 4.350 -0.000 0.000 0.190 1271 E C 1.824 178.498 176.600 0.124 0.000 0.971 1271 E CA 0.432 56.888 56.400 0.093 0.000 0.821 1271 E CB -0.987 28.746 29.700 0.055 0.000 0.777 1271 E HN 0.022 nan 8.360 nan 0.000 0.460 1272 D N -0.319 120.151 120.400 0.116 0.000 2.336 1272 D HA -0.053 4.586 4.640 -0.000 0.000 0.229 1272 D C 0.533 176.915 176.300 0.137 0.000 1.061 1272 D CA -0.097 53.961 54.000 0.097 0.000 0.875 1272 D CB -0.131 40.706 40.800 0.063 0.000 0.904 1272 D HN 0.321 nan 8.370 nan 0.000 0.525 1273 W N 1.358 122.655 121.300 -0.006 0.000 2.364 1273 W HA -0.084 4.576 4.660 -0.000 0.000 0.281 1273 W C 1.974 178.489 176.519 -0.008 0.000 1.219 1273 W CA 1.755 59.096 57.345 -0.007 0.000 1.220 1273 W CB -0.376 29.080 29.460 -0.006 0.000 1.127 1273 W HN -0.022 nan 8.180 nan 0.000 0.556 1274 G N 0.720 109.517 108.800 -0.005 0.000 2.421 1274 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 1274 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 1274 G C 1.657 176.439 174.900 -0.196 0.000 1.171 1274 G CA 1.043 46.042 45.100 -0.168 0.000 0.775 1274 G HN 0.086 nan 8.290 nan 0.000 0.543 1275 K N 0.051 120.389 120.400 -0.104 0.000 2.152 1275 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 1275 K C 2.375 178.898 176.600 -0.128 0.000 1.048 1275 K CA 0.701 56.932 56.287 -0.092 0.000 0.933 1275 K CB -0.590 31.883 32.500 -0.045 0.000 0.721 1275 K HN 0.388 nan 8.250 nan 0.000 0.447 1276 L N 1.256 122.379 121.223 -0.168 0.000 2.017 1276 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 1276 L C 1.857 178.587 176.870 -0.234 0.000 1.073 1276 L CA 1.975 56.708 54.840 -0.178 0.000 0.745 1276 L CB -0.943 41.007 42.059 -0.181 0.000 0.894 1276 L HN 0.084 nan 8.230 nan 0.000 0.432 1277 T N -0.744 113.588 114.554 -0.370 0.000 2.951 1277 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 1277 T C 1.821 176.393 174.700 -0.213 0.000 1.073 1277 T CA 1.755 63.651 62.100 -0.339 0.000 1.134 1277 T CB -0.219 68.352 68.868 -0.495 0.000 0.884 1277 T HN 0.380 nan 8.240 nan 0.000 0.479 1278 M N 0.753 120.242 119.600 -0.185 0.000 2.287 1278 M HA 0.180 4.660 4.480 -0.000 0.000 0.266 1278 M C 2.360 178.600 176.300 -0.100 0.000 1.079 1278 M CA 0.967 56.192 55.300 -0.125 0.000 1.146 1278 M CB -0.112 32.424 32.600 -0.106 0.000 1.374 1278 M HN 0.276 nan 8.290 nan 0.000 0.435 1279 A N 0.121 122.881 122.820 -0.100 0.000 1.929 1279 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 1279 A C 2.136 179.673 177.584 -0.079 0.000 1.176 1279 A CA 1.353 53.344 52.037 -0.078 0.000 0.628 1279 A CB -0.642 18.317 19.000 -0.069 0.000 0.816 1279 A HN 0.634 nan 8.150 nan 0.000 0.444 1280 M N -0.443 119.101 119.600 -0.093 0.000 2.349 1280 M HA -0.021 4.458 4.480 -0.000 0.000 0.266 1280 M C 1.941 178.191 176.300 -0.083 0.000 1.076 1280 M CA 1.366 56.615 55.300 -0.086 0.000 1.126 1280 M CB -0.191 32.352 32.600 -0.095 0.000 1.392 1280 M HN 0.434 nan 8.290 nan 0.000 0.440 1281 G N -0.827 107.919 108.800 -0.090 0.000 2.403 1281 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 1281 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 1281 G C 1.403 176.263 174.900 -0.067 0.000 1.154 1281 G CA 0.828 45.880 45.100 -0.079 0.000 0.784 1281 G HN 0.488 nan 8.290 nan 0.000 0.538 1282 S N 0.386 116.047 115.700 -0.066 0.000 2.355 1282 S HA -0.064 4.406 4.470 -0.000 0.000 0.222 1282 S C 2.147 176.712 174.600 -0.058 0.000 1.031 1282 S CA 0.855 59.021 58.200 -0.058 0.000 0.993 1282 S CB -0.277 62.890 63.200 -0.056 0.000 0.859 1282 S HN 0.191 nan 8.310 nan 0.000 0.453 1283 L N 1.491 122.677 121.223 -0.062 0.000 2.141 1283 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 1283 L C 2.475 179.302 176.870 -0.072 0.000 1.094 1283 L CA 1.285 56.087 54.840 -0.065 0.000 0.763 1283 L CB -0.742 41.278 42.059 -0.065 0.000 0.908 1283 L HN 0.267 nan 8.230 nan 0.000 0.437 1284 S N -0.465 115.192 115.700 -0.071 0.000 2.368 1284 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 1284 S C 1.737 176.294 174.600 -0.071 0.000 1.030 1284 S CA 1.844 59.999 58.200 -0.075 0.000 0.999 1284 S CB -0.489 62.670 63.200 -0.067 0.000 0.844 1284 S HN 0.676 nan 8.310 nan 0.000 0.459 1285 N N 0.845 119.510 118.700 -0.058 0.000 2.520 1285 N HA 0.101 4.841 4.740 -0.000 0.000 0.185 1285 N C 0.500 175.982 175.510 -0.046 0.000 1.068 1285 N CA 0.269 53.291 53.050 -0.048 0.000 0.911 1285 N CB -0.067 38.396 38.487 -0.039 0.000 0.961 1285 N HN 0.402 nan 8.380 nan 0.000 0.446 1286 A N 0.467 123.254 122.820 -0.055 0.000 2.257 1286 A HA 0.639 4.958 4.320 -0.000 0.000 0.289 1286 A C 0.417 177.960 177.584 -0.067 0.000 1.095 1286 A CA -0.382 51.626 52.037 -0.048 0.000 0.836 1286 A CB 0.625 19.595 19.000 -0.049 0.000 1.111 1286 A HN 0.145 nan 8.150 nan 0.000 0.497 1287 G N -0.042 108.737 108.800 -0.035 0.000 2.588 1287 G HA2 0.552 4.511 3.960 -0.000 0.000 0.312 1287 G HA3 0.552 4.511 3.960 -0.000 0.000 0.312 1287 G C -1.120 173.776 174.900 -0.006 0.000 1.257 1287 G CA -0.117 44.960 45.100 -0.039 0.000 0.994 1287 G HN 0.398 nan 8.290 nan 0.000 0.498 1288 I N 1.550 122.009 120.570 -0.185 0.000 2.545 1288 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 1288 I C -1.253 174.713 176.117 -0.252 0.000 1.040 1288 I CA -1.128 60.124 61.300 -0.081 0.000 1.068 1288 I CB 2.139 40.081 38.000 -0.095 0.000 1.251 1288 I HN 0.380 nan 8.210 nan 0.000 0.424 1289 Y N 6.032 126.269 120.300 -0.105 0.000 2.326 1289 Y HA 0.677 5.227 4.550 -0.000 0.000 0.331 1289 Y C -0.460 175.310 175.900 -0.217 0.000 0.962 1289 Y CA -0.832 57.187 58.100 -0.136 0.000 1.167 1289 Y CB 1.196 39.581 38.460 -0.125 0.000 1.148 1289 Y HN 0.283 nan 8.280 nan 0.000 0.463 1290 I N 2.364 122.873 120.570 -0.102 0.000 2.947 1290 I HA 0.557 4.727 4.170 -0.000 0.000 0.314 1290 I C -0.469 175.531 176.117 -0.196 0.000 1.028 1290 I CA -1.064 60.130 61.300 -0.177 0.000 1.077 1290 I CB 1.611 39.546 38.000 -0.109 0.000 1.274 1290 I HN 0.515 nan 8.210 nan 0.000 0.485 1291 D N 1.653 121.926 120.400 -0.212 0.000 2.726 1291 D HA 0.196 4.836 4.640 -0.000 0.000 0.203 1291 D C -2.237 174.073 176.300 0.016 0.000 1.297 1291 D CA -0.481 53.455 54.000 -0.107 0.000 0.863 1291 D CB 1.554 42.258 40.800 -0.160 0.000 1.669 1291 D HN 0.594 nan 8.370 nan 0.000 0.561 1292 D N 1.724 122.150 120.400 0.043 0.000 2.462 1292 D HA 0.389 5.029 4.640 -0.000 0.000 0.245 1292 D C -0.707 175.638 176.300 0.074 0.000 1.122 1292 D CA -0.523 53.519 54.000 0.070 0.000 0.864 1292 D CB 1.499 42.323 40.800 0.039 0.000 1.098 1292 D HN 0.027 nan 8.370 nan 0.000 0.541 1293 T N 2.568 117.183 114.554 0.101 0.000 3.305 1293 T HA 0.286 4.636 4.350 -0.000 0.000 0.348 1293 T C -2.636 172.105 174.700 0.068 0.000 1.394 1293 T CA -1.204 60.944 62.100 0.079 0.000 1.549 1293 T CB 0.876 69.800 68.868 0.093 0.000 0.962 1293 T HN 0.275 nan 8.240 nan 0.000 0.609 1294 P HA -0.106 nan 4.420 nan 0.000 0.255 1294 P C -0.251 177.071 177.300 0.037 0.000 1.123 1294 P CA 0.857 63.981 63.100 0.040 0.000 0.766 1294 P CB -0.074 31.642 31.700 0.026 0.000 0.705 1295 S N 1.867 117.590 115.700 0.038 0.000 3.312 1295 S HA -0.181 4.289 4.470 -0.000 0.000 0.667 1295 S C 0.482 175.095 174.600 0.022 0.000 0.777 1295 S CA 0.553 58.771 58.200 0.029 0.000 1.365 1295 S CB -1.387 61.827 63.200 0.023 0.000 1.146 1295 S HN 0.848 nan 8.310 nan 0.000 0.726 1296 I N 1.189 121.764 120.570 0.009 0.000 5.321 1296 I HA -0.033 4.136 4.170 -0.000 0.000 0.379 1296 I C 1.417 177.505 176.117 -0.047 0.000 0.925 1296 I CA 0.280 61.577 61.300 -0.006 0.000 1.664 1296 I CB -0.146 37.864 38.000 0.016 0.000 2.602 1296 I HN 0.605 nan 8.210 nan 0.000 0.841 1297 R N 0.877 121.331 120.500 -0.077 0.000 2.343 1297 R HA -0.208 4.131 4.340 -0.000 0.000 0.264 1297 R C 1.577 177.788 176.300 -0.149 0.000 1.212 1297 R CA 1.923 57.931 56.100 -0.154 0.000 1.037 1297 R CB -1.461 28.754 30.300 -0.141 0.000 0.874 1297 R HN 0.434 nan 8.270 nan 0.000 0.489 1298 V N -0.307 119.552 119.914 -0.092 0.000 2.341 1298 V HA -0.114 4.006 4.120 -0.000 0.000 0.240 1298 V C 1.831 177.876 176.094 -0.081 0.000 1.035 1298 V CA 1.894 64.143 62.300 -0.084 0.000 1.033 1298 V CB 0.213 32.004 31.823 -0.053 0.000 0.678 1298 V HN 0.471 nan 8.190 nan 0.000 0.464 1299 S N 0.306 115.971 115.700 -0.058 0.000 2.345 1299 S HA -0.158 4.312 4.470 -0.000 0.000 0.220 1299 S C 1.656 176.232 174.600 -0.039 0.000 1.031 1299 S CA 1.643 59.818 58.200 -0.042 0.000 0.996 1299 S CB -0.444 62.740 63.200 -0.026 0.000 0.882 1299 S HN 0.678 nan 8.310 nan 0.000 0.445 1300 D N 1.272 121.648 120.400 -0.039 0.000 2.194 1300 D HA 0.040 4.680 4.640 -0.000 0.000 0.204 1300 D C 1.887 178.173 176.300 -0.024 0.000 0.964 1300 D CA 0.405 54.396 54.000 -0.014 0.000 0.846 1300 D CB -0.239 40.569 40.800 0.012 0.000 0.962 1300 D HN 0.232 nan 8.370 nan 0.000 0.490 1301 I N 1.813 122.306 120.570 -0.129 0.000 2.163 1301 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 1301 I C 2.385 178.457 176.117 -0.075 0.000 1.085 1301 I CA 1.187 62.343 61.300 -0.240 0.000 1.347 1301 I CB -1.052 36.645 38.000 -0.504 0.000 1.044 1301 I HN 0.142 nan 8.210 nan 0.000 0.408 1302 R N 2.082 122.540 120.500 -0.070 0.000 2.073 1302 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 1302 R C 2.355 178.651 176.300 -0.006 0.000 1.134 1302 R CA 1.611 57.691 56.100 -0.033 0.000 0.952 1302 R CB -1.080 29.198 30.300 -0.036 0.000 0.850 1302 R HN 0.261 nan 8.270 nan 0.000 0.433 1303 A N 1.623 124.442 122.820 -0.002 0.000 1.933 1303 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 1303 A C 1.951 179.551 177.584 0.028 0.000 1.175 1303 A CA 1.490 53.533 52.037 0.010 0.000 0.628 1303 A CB -0.284 18.721 19.000 0.009 0.000 0.814 1303 A HN 0.363 nan 8.150 nan 0.000 0.444 1304 K N -0.859 119.577 120.400 0.060 0.000 2.076 1304 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 1304 K C 2.045 178.686 176.600 0.070 0.000 1.051 1304 K CA 1.307 57.648 56.287 0.089 0.000 0.949 1304 K CB -0.424 32.187 32.500 0.186 0.000 0.726 1304 K HN 0.527 nan 8.250 nan 0.000 0.443 1305 C N 1.406 120.761 119.300 0.092 0.000 2.440 1305 C HA -0.043 4.417 4.460 -0.000 0.000 0.278 1305 C C 2.774 177.765 174.990 0.000 0.000 1.295 1305 C CA 0.515 59.565 59.018 0.052 0.000 1.738 1305 C CB -0.874 26.909 27.740 0.072 0.000 1.987 1305 C HN 0.498 nan 8.230 nan 0.000 0.492 1306 R N 1.362 121.863 120.500 0.002 0.000 2.081 1306 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 1306 R C 2.173 178.462 176.300 -0.019 0.000 1.131 1306 R CA 1.509 57.602 56.100 -0.011 0.000 0.960 1306 R CB -0.412 29.883 30.300 -0.008 0.000 0.856 1306 R HN 0.500 nan 8.270 nan 0.000 0.436 1307 R N 0.321 120.813 120.500 -0.014 0.000 2.090 1307 R HA -0.078 4.262 4.340 -0.000 0.000 0.228 1307 R C 2.375 178.647 176.300 -0.047 0.000 1.110 1307 R CA 1.135 57.222 56.100 -0.022 0.000 0.973 1307 R CB -0.404 29.891 30.300 -0.009 0.000 0.869 1307 R HN 0.196 nan 8.270 nan 0.000 0.440 1308 L N 1.509 122.690 121.223 -0.068 0.000 2.093 1308 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 1308 L C 2.083 178.877 176.870 -0.128 0.000 1.085 1308 L CA 1.838 56.596 54.840 -0.137 0.000 0.755 1308 L CB -0.373 41.566 42.059 -0.201 0.000 0.904 1308 L HN -0.057 nan 8.230 nan 0.000 0.435 1309 K N 0.156 120.504 120.400 -0.087 0.000 2.001 1309 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 1309 K C 2.001 178.567 176.600 -0.056 0.000 1.048 1309 K CA 1.885 58.130 56.287 -0.071 0.000 0.932 1309 K CB -0.213 32.257 32.500 -0.050 0.000 0.715 1309 K HN 0.732 nan 8.250 nan 0.000 0.437 1310 Q N -0.036 119.737 119.800 -0.044 0.000 2.508 1310 Q HA -0.112 4.228 4.340 -0.000 0.000 0.214 1310 Q C 1.573 177.551 176.000 -0.036 0.000 0.979 1310 Q CA 1.319 57.102 55.803 -0.034 0.000 0.911 1310 Q CB 0.148 28.870 28.738 -0.025 0.000 0.969 1310 Q HN 0.369 nan 8.270 nan 0.000 0.504 1311 E N 0.313 120.483 120.200 -0.050 0.000 2.062 1311 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 1311 E C 1.265 177.837 176.600 -0.048 0.000 0.949 1311 E CA 0.825 57.196 56.400 -0.048 0.000 0.889 1311 E CB 0.123 29.787 29.700 -0.061 0.000 0.928 1311 E HN 0.304 nan 8.360 nan 0.000 0.476 1312 S N -0.756 114.900 115.700 -0.073 0.000 2.475 1312 S HA 0.354 4.824 4.470 -0.000 0.000 0.224 1312 S C 0.325 174.893 174.600 -0.054 0.000 1.042 1312 S CA 0.432 58.597 58.200 -0.058 0.000 0.935 1312 S CB 1.214 64.369 63.200 -0.074 0.000 0.801 1312 S HN 0.608 nan 8.310 nan 0.000 0.509 1313 G N 0.724 109.480 108.800 -0.074 0.000 2.334 1313 G HA2 0.225 4.185 3.960 -0.000 0.000 0.566 1313 G HA3 0.225 4.185 3.960 -0.000 0.000 0.566 1313 G C -1.716 173.134 174.900 -0.084 0.000 1.413 1313 G CA -0.946 44.118 45.100 -0.060 0.000 0.993 1313 G HN 0.198 nan 8.290 nan 0.000 0.642 1314 L N 0.347 121.528 121.223 -0.070 0.000 2.331 1314 L HA 0.968 5.308 4.340 -0.000 0.000 0.268 1314 L C 1.147 177.979 176.870 -0.063 0.000 1.015 1314 L CA 0.505 55.298 54.840 -0.078 0.000 0.807 1314 L CB 1.708 43.731 42.059 -0.061 0.000 1.293 1314 L HN 1.360 nan 8.230 nan 0.000 0.451 1315 G N 0.814 109.578 108.800 -0.060 0.000 2.753 1315 G HA2 0.429 4.389 3.960 -0.000 0.000 0.285 1315 G HA3 0.429 4.389 3.960 -0.000 0.000 0.285 1315 G C -1.035 173.833 174.900 -0.053 0.000 1.344 1315 G CA -0.732 44.341 45.100 -0.044 0.000 1.050 1315 G HN 0.643 nan 8.290 nan 0.000 0.532 1316 M N 1.176 120.738 119.600 -0.064 0.000 2.157 1316 M HA 0.561 5.041 4.480 -0.000 0.000 0.354 1316 M C -1.317 174.964 176.300 -0.031 0.000 1.170 1316 M CA -0.361 54.872 55.300 -0.111 0.000 1.060 1316 M CB 1.238 33.725 32.600 -0.189 0.000 1.615 1316 M HN 0.153 nan 8.290 nan 0.000 0.460 1317 V N 5.161 125.076 119.914 0.001 0.000 2.713 1317 V HA 0.684 4.804 4.120 -0.000 0.000 0.307 1317 V C -0.587 175.575 176.094 0.114 0.000 1.052 1317 V CA -0.717 61.635 62.300 0.088 0.000 0.967 1317 V CB 1.794 33.700 31.823 0.139 0.000 1.019 1317 V HN 0.724 nan 8.190 nan 0.000 0.459 1318 V N 5.185 125.201 119.914 0.169 0.000 2.623 1318 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 1318 V C -1.266 174.961 176.094 0.220 0.000 1.054 1318 V CA -0.426 61.974 62.300 0.165 0.000 0.882 1318 V CB 1.746 33.646 31.823 0.130 0.000 1.002 1318 V HN 0.664 nan 8.190 nan 0.000 0.424 1319 I N 4.751 125.423 120.570 0.169 0.000 2.460 1319 I HA 0.536 4.706 4.170 -0.000 0.000 0.298 1319 I C -0.548 175.658 176.117 0.148 0.000 0.989 1319 I CA -0.197 61.202 61.300 0.165 0.000 1.173 1319 I CB 1.718 39.758 38.000 0.065 0.000 1.338 1319 I HN 0.744 nan 8.210 nan 0.000 0.456 1320 D N 5.768 126.274 120.400 0.177 0.000 2.427 1320 D HA 0.398 5.038 4.640 -0.000 0.000 0.226 1320 D C -0.496 175.967 176.300 0.271 0.000 1.076 1320 D CA 0.182 54.302 54.000 0.201 0.000 0.849 1320 D CB 0.344 41.256 40.800 0.187 0.000 1.052 1320 D HN 0.349 nan 8.370 nan 0.000 0.515 1321 Y N 0.413 120.746 120.300 0.055 0.000 2.499 1321 Y HA -0.027 4.523 4.550 -0.000 0.000 0.124 1321 Y C 0.059 175.977 175.900 0.031 0.000 1.694 1321 Y CA 1.394 59.519 58.100 0.042 0.000 1.424 1321 Y CB -0.898 37.586 38.460 0.040 0.000 2.069 1321 Y HN 0.624 nan 8.280 nan 0.000 0.253 1333 E N 0.018 120.222 120.200 0.006 0.000 2.489 1333 E HA 0.112 4.462 4.350 -0.000 0.000 0.204 1333 E C 0.262 176.865 176.600 0.006 0.000 1.006 1333 E CA -0.026 56.378 56.400 0.006 0.000 0.936 1333 E CB 0.239 29.942 29.700 0.005 0.000 1.002 1333 E HN 0.323 nan 8.360 nan 0.000 0.488 1334 N N 0.382 119.086 118.700 0.006 0.000 2.546 1334 N HA 0.118 4.858 4.740 -0.000 0.000 0.286 1334 N C 0.490 176.004 175.510 0.008 0.000 1.259 1334 N CA -0.085 52.969 53.050 0.006 0.000 0.939 1334 N CB 0.337 38.827 38.487 0.006 0.000 1.243 1334 N HN -0.019 nan 8.380 nan 0.000 0.511 1335 R N -0.029 120.476 120.500 0.008 0.000 4.379 1335 R HA 0.028 4.368 4.340 -0.000 0.000 0.112 1335 R C 1.832 178.138 176.300 0.010 0.000 0.659 1335 R CA 0.763 56.869 56.100 0.010 0.000 1.167 1335 R CB -0.285 30.022 30.300 0.013 0.000 1.572 1335 R HN 0.221 nan 8.270 nan 0.000 0.426 1336 Q N 0.383 120.189 119.800 0.009 0.000 2.226 1336 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 1336 Q C 1.467 177.471 176.000 0.006 0.000 0.975 1336 Q CA 1.708 57.516 55.803 0.008 0.000 0.866 1336 Q CB -0.175 28.568 28.738 0.008 0.000 0.915 1336 Q HN 0.297 nan 8.270 nan 0.000 0.440 1337 Q N 1.306 121.109 119.800 0.005 0.000 2.137 1337 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 1337 Q C 1.710 177.711 176.000 0.002 0.000 0.960 1337 Q CA 1.508 57.313 55.803 0.003 0.000 0.847 1337 Q CB 0.107 28.846 28.738 0.003 0.000 0.915 1337 Q HN 0.406 nan 8.270 nan 0.000 0.448 1338 E N -0.229 119.972 120.200 0.003 0.000 2.153 1338 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 1338 E C 2.021 178.621 176.600 0.001 0.000 0.988 1338 E CA 1.239 57.640 56.400 0.002 0.000 0.811 1338 E CB -0.197 29.506 29.700 0.004 0.000 0.746 1338 E HN 0.297 nan 8.360 nan 0.000 0.466 1339 V N 1.187 121.103 119.914 0.003 0.000 2.548 1339 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 1339 V C 2.347 178.440 176.094 -0.002 0.000 1.055 1339 V CA 1.526 63.827 62.300 0.002 0.000 1.065 1339 V CB -0.412 31.414 31.823 0.005 0.000 0.681 1339 V HN 0.169 nan 8.190 nan 0.000 0.462 1340 S N 0.621 116.320 115.700 -0.001 0.000 2.368 1340 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 1340 S C 1.987 176.583 174.600 -0.006 0.000 1.029 1340 S CA 1.702 59.900 58.200 -0.003 0.000 0.988 1340 S CB -0.268 62.932 63.200 -0.001 0.000 0.838 1340 S HN 0.919 nan 8.310 nan 0.000 0.462 1341 E N 2.225 122.421 120.200 -0.006 0.000 2.118 1341 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 1341 E C 1.936 178.528 176.600 -0.014 0.000 0.992 1341 E CA 1.675 58.070 56.400 -0.010 0.000 0.804 1341 E CB -0.761 28.934 29.700 -0.009 0.000 0.741 1341 E HN 0.766 nan 8.360 nan 0.000 0.458 1342 I N -1.338 119.224 120.570 -0.014 0.000 2.500 1342 I HA -0.037 4.133 4.170 -0.000 0.000 0.252 1342 I C 2.518 178.622 176.117 -0.021 0.000 1.142 1342 I CA 1.071 62.359 61.300 -0.021 0.000 1.451 1342 I CB -0.371 37.617 38.000 -0.020 0.000 1.093 1342 I HN 0.146 nan 8.210 nan 0.000 0.430 1343 S N 2.021 117.712 115.700 -0.015 0.000 2.356 1343 S HA -0.232 4.238 4.470 -0.000 0.000 0.223 1343 S C 2.393 176.984 174.600 -0.015 0.000 1.032 1343 S CA 1.725 59.916 58.200 -0.014 0.000 1.005 1343 S CB -0.550 62.645 63.200 -0.009 0.000 0.867 1343 S HN 0.607 nan 8.310 nan 0.000 0.449 1344 R N 0.528 121.020 120.500 -0.014 0.000 2.115 1344 R HA 0.026 4.365 4.340 -0.000 0.000 0.230 1344 R C 1.993 178.282 176.300 -0.018 0.000 1.111 1344 R CA 1.841 57.932 56.100 -0.014 0.000 0.976 1344 R CB -0.913 29.379 30.300 -0.013 0.000 0.870 1344 R HN 0.423 nan 8.270 nan 0.000 0.445 1345 S N 1.219 116.906 115.700 -0.021 0.000 2.414 1345 S HA 0.039 4.509 4.470 -0.000 0.000 0.227 1345 S C 1.971 176.552 174.600 -0.032 0.000 1.022 1345 S CA 0.747 58.931 58.200 -0.027 0.000 0.958 1345 S CB -0.059 63.123 63.200 -0.031 0.000 0.797 1345 S HN 0.264 nan 8.310 nan 0.000 0.493 1346 L N 1.394 122.598 121.223 -0.032 0.000 2.093 1346 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 1346 L C 2.530 179.387 176.870 -0.023 0.000 1.085 1346 L CA 1.166 55.986 54.840 -0.033 0.000 0.755 1346 L CB -0.337 41.705 42.059 -0.029 0.000 0.904 1346 L HN 0.254 nan 8.230 nan 0.000 0.435 1347 K N 0.485 120.875 120.400 -0.018 0.000 2.062 1347 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 1347 K C 2.138 178.729 176.600 -0.016 0.000 1.051 1347 K CA 1.151 57.430 56.287 -0.013 0.000 0.941 1347 K CB -0.040 32.454 32.500 -0.010 0.000 0.719 1347 K HN 0.226 nan 8.250 nan 0.000 0.440 1348 A N 2.096 124.905 122.820 -0.018 0.000 2.019 1348 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 1348 A C 2.040 179.611 177.584 -0.021 0.000 1.164 1348 A CA 0.962 52.988 52.037 -0.019 0.000 0.644 1348 A CB -0.545 18.443 19.000 -0.020 0.000 0.805 1348 A HN 0.435 nan 8.150 nan 0.000 0.449 1349 L N -0.487 120.721 121.223 -0.025 0.000 2.093 1349 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 1349 L C 2.554 179.410 176.870 -0.024 0.000 1.085 1349 L CA 2.208 57.031 54.840 -0.028 0.000 0.755 1349 L CB -1.292 40.745 42.059 -0.038 0.000 0.904 1349 L HN 0.393 nan 8.230 nan 0.000 0.435 1350 A N 0.472 123.279 122.820 -0.022 0.000 1.851 1350 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 1350 A C 2.493 180.064 177.584 -0.023 0.000 1.195 1350 A CA 1.937 53.961 52.037 -0.022 0.000 0.622 1350 A CB -0.740 18.249 19.000 -0.018 0.000 0.831 1350 A HN 0.486 nan 8.150 nan 0.000 0.444 1351 R N -0.481 120.007 120.500 -0.019 0.000 2.115 1351 R HA -0.140 4.200 4.340 -0.000 0.000 0.226 1351 R C 2.024 178.313 176.300 -0.019 0.000 1.100 1351 R CA 1.595 57.684 56.100 -0.018 0.000 0.980 1351 R CB -0.159 30.132 30.300 -0.015 0.000 0.875 1351 R HN 0.581 nan 8.270 nan 0.000 0.445 1352 E N 0.201 120.389 120.200 -0.019 0.000 2.338 1352 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 1352 E C 0.773 177.361 176.600 -0.019 0.000 1.007 1352 E CA 0.913 57.302 56.400 -0.019 0.000 0.849 1352 E CB 0.107 29.796 29.700 -0.019 0.000 0.774 1352 E HN 0.268 nan 8.360 nan 0.000 0.506 1353 L N 1.101 122.311 121.223 -0.021 0.000 3.333 1353 L HA 0.180 4.520 4.340 -0.000 0.000 0.299 1353 L C -0.735 176.118 176.870 -0.027 0.000 1.256 1353 L CA 0.200 55.027 54.840 -0.023 0.000 1.037 1353 L CB 0.039 42.085 42.059 -0.021 0.000 1.423 1353 L HN 0.210 nan 8.230 nan 0.000 0.605 1354 E N -0.382 119.802 120.200 -0.027 0.000 2.103 1354 E HA -0.251 4.099 4.350 -0.000 0.000 0.186 1354 E C -0.460 176.115 176.600 -0.041 0.000 1.392 1354 E CA 0.786 57.167 56.400 -0.031 0.000 0.691 1354 E CB -2.148 27.535 29.700 -0.028 0.000 1.068 1354 E HN 0.214 nan 8.360 nan 0.000 0.328 1355 V N 0.394 120.282 119.914 -0.044 0.000 2.962 1355 V HA 0.706 4.826 4.120 -0.000 0.000 0.313 1355 V C -2.638 173.412 176.094 -0.074 0.000 1.099 1355 V CA -1.998 60.268 62.300 -0.057 0.000 0.971 1355 V CB 2.654 34.454 31.823 -0.040 0.000 1.028 1355 V HN 0.260 nan 8.190 nan 0.000 0.430 1356 P HA 0.297 nan 4.420 nan 0.000 0.301 1356 P C -1.250 175.970 177.300 -0.133 0.000 1.385 1356 P CA -0.333 62.670 63.100 -0.163 0.000 0.902 1356 P CB 1.646 33.156 31.700 -0.318 0.000 0.965 1357 V N 6.281 126.168 119.914 -0.044 0.000 2.347 1357 V HA 0.449 4.569 4.120 -0.000 0.000 0.280 1357 V C -0.324 175.814 176.094 0.072 0.000 1.021 1357 V CA -1.080 61.227 62.300 0.013 0.000 0.847 1357 V CB 0.696 32.527 31.823 0.012 0.000 0.990 1357 V HN 0.470 nan 8.190 nan 0.000 0.444 1358 I N 7.491 128.141 120.570 0.133 0.000 2.339 1358 I HA 0.841 5.011 4.170 -0.000 0.000 0.290 1358 I C 0.121 176.312 176.117 0.124 0.000 0.994 1358 I CA -0.187 61.228 61.300 0.192 0.000 1.191 1358 I CB 1.250 39.472 38.000 0.370 0.000 1.343 1358 I HN 0.776 nan 8.210 nan 0.000 0.458 1359 A N 7.305 130.172 122.820 0.079 0.000 2.311 1359 A HA 0.794 5.114 4.320 -0.000 0.000 0.334 1359 A C -1.308 176.295 177.584 0.032 0.000 1.139 1359 A CA -0.641 51.426 52.037 0.050 0.000 0.830 1359 A CB 1.241 20.252 19.000 0.017 0.000 1.234 1359 A HN 0.663 nan 8.150 nan 0.000 0.483 1360 L N 1.178 122.413 121.223 0.020 0.000 2.287 1360 L HA 0.601 4.941 4.340 -0.000 0.000 0.287 1360 L C 0.600 177.388 176.870 -0.135 0.000 1.022 1360 L CA 0.353 55.181 54.840 -0.019 0.000 0.814 1360 L CB 1.482 43.560 42.059 0.032 0.000 1.217 1360 L HN 0.702 nan 8.230 nan 0.000 0.420 1361 S N 1.928 117.539 115.700 -0.148 0.000 2.726 1361 S HA 0.836 5.306 4.470 -0.000 0.000 0.308 1361 S C -0.754 173.698 174.600 -0.248 0.000 1.115 1361 S CA -0.605 57.470 58.200 -0.209 0.000 0.965 1361 S CB 1.327 64.471 63.200 -0.093 0.000 1.145 1361 S HN 0.572 nan 8.310 nan 0.000 0.532 1362 Q N 0.758 120.411 119.800 -0.246 0.000 2.359 1362 Q HA 0.715 5.055 4.340 -0.000 0.000 0.275 1362 Q C -1.286 174.691 176.000 -0.038 0.000 1.082 1362 Q CA -0.592 55.117 55.803 -0.156 0.000 0.849 1362 Q CB 1.410 30.048 28.738 -0.167 0.000 1.377 1362 Q HN 0.562 nan 8.270 nan 0.000 0.452 1363 L N 0.703 121.925 121.223 -0.002 0.000 2.406 1363 L HA 0.513 4.852 4.340 -0.000 0.000 0.270 1363 L C -0.709 176.166 176.870 0.009 0.000 0.982 1363 L CA -0.698 54.145 54.840 0.005 0.000 0.843 1363 L CB 2.059 44.120 42.059 0.003 0.000 1.225 1363 L HN 0.530 nan 8.230 nan 0.000 0.412 1364 S N 2.424 118.130 115.700 0.010 0.000 2.452 1364 S HA 0.935 5.405 4.470 -0.000 0.000 0.284 1364 S C 0.045 174.647 174.600 0.004 0.000 1.171 1364 S CA -0.042 58.168 58.200 0.016 0.000 1.064 1364 S CB 0.582 63.796 63.200 0.024 0.000 0.967 1364 S HN 0.771 nan 8.310 nan 0.000 0.484 1383 S N -0.874 114.840 115.700 0.022 0.000 3.041 1383 S HA 0.597 5.067 4.470 -0.000 0.000 0.244 1383 S C 0.056 174.663 174.600 0.013 0.000 0.837 1383 S CA -0.041 58.167 58.200 0.014 0.000 1.206 1383 S CB 1.045 64.249 63.200 0.008 0.000 1.218 1383 S HN 1.040 nan 8.310 nan 0.000 0.591 1384 G N 1.437 110.246 108.800 0.016 0.000 2.334 1384 G HA2 0.238 4.198 3.960 -0.000 0.000 0.249 1384 G HA3 0.238 4.198 3.960 -0.000 0.000 0.249 1384 G C -0.933 173.977 174.900 0.016 0.000 1.327 1384 G CA -0.000 45.107 45.100 0.013 0.000 0.979 1384 G HN 0.189 nan 8.290 nan 0.000 0.471 1385 S N 0.623 116.330 115.700 0.012 0.000 2.979 1385 S HA 0.377 4.847 4.470 -0.000 0.000 0.210 1385 S C 1.719 176.326 174.600 0.012 0.000 1.364 1385 S CA 0.202 58.409 58.200 0.012 0.000 1.208 1385 S CB -1.252 61.952 63.200 0.007 0.000 1.167 1385 S HN 0.856 nan 8.310 nan 0.000 0.519 1386 I N 0.013 120.594 120.570 0.018 0.000 2.494 1386 I HA 0.115 4.285 4.170 -0.000 0.000 0.250 1386 I C 2.323 178.449 176.117 0.014 0.000 1.112 1386 I CA 0.502 61.809 61.300 0.012 0.000 1.438 1386 I CB -0.566 37.441 38.000 0.013 0.000 1.111 1386 I HN 0.346 nan 8.210 nan 0.000 0.431 1387 E N 1.860 122.082 120.200 0.035 0.000 2.401 1387 E HA -0.291 4.059 4.350 -0.000 0.000 0.199 1387 E C 1.780 178.394 176.600 0.024 0.000 1.023 1387 E CA 1.358 57.782 56.400 0.040 0.000 0.859 1387 E CB -0.296 29.451 29.700 0.079 0.000 0.780 1387 E HN 0.674 nan 8.360 nan 0.000 0.523 1388 Q N 1.301 121.111 119.800 0.017 0.000 2.061 1388 Q HA -0.056 4.284 4.340 -0.000 0.000 0.195 1388 Q C 1.034 177.036 176.000 0.004 0.000 0.967 1388 Q CA 2.131 57.940 55.803 0.010 0.000 0.829 1388 Q CB 0.043 28.785 28.738 0.007 0.000 0.900 1388 Q HN 0.263 nan 8.270 nan 0.000 0.450 1389 D N 0.293 120.693 120.400 0.001 0.000 2.183 1389 D HA 0.172 4.812 4.640 -0.000 0.000 0.205 1389 D C -0.011 176.287 176.300 -0.003 0.000 0.962 1389 D CA 0.827 54.825 54.000 -0.003 0.000 0.849 1389 D CB -0.220 40.577 40.800 -0.006 0.000 0.978 1389 D HN 0.384 nan 8.370 nan 0.000 0.488 1390 A N 0.822 123.639 122.820 -0.005 0.000 2.520 1390 A HA 0.108 4.428 4.320 -0.000 0.000 0.235 1390 A C 0.414 177.994 177.584 -0.006 0.000 1.065 1390 A CA 0.185 52.216 52.037 -0.010 0.000 0.764 1390 A CB 0.283 19.268 19.000 -0.026 0.000 1.002 1390 A HN -0.022 nan 8.150 nan 0.000 0.502 1391 D N 0.053 120.451 120.400 -0.003 0.000 2.415 1391 D HA 0.390 5.030 4.640 -0.000 0.000 0.265 1391 D C -0.104 176.195 176.300 -0.002 0.000 1.206 1391 D CA -0.131 53.872 54.000 0.005 0.000 1.113 1391 D CB 0.021 40.831 40.800 0.016 0.000 1.192 1391 D HN 0.365 nan 8.370 nan 0.000 0.586 1392 I N 1.085 121.663 120.570 0.013 0.000 2.505 1392 I HA 0.053 4.223 4.170 -0.000 0.000 0.287 1392 I C 0.053 176.140 176.117 -0.050 0.000 1.104 1392 I CA 0.168 61.462 61.300 -0.011 0.000 1.387 1392 I CB 0.313 38.324 38.000 0.017 0.000 1.404 1392 I HN -0.119 nan 8.210 nan 0.000 0.528 1393 V N 6.349 126.191 119.914 -0.119 0.000 2.435 1393 V HA 0.842 4.962 4.120 -0.000 0.000 0.290 1393 V C 0.210 176.072 176.094 -0.386 0.000 1.030 1393 V CA -0.519 61.629 62.300 -0.254 0.000 0.881 1393 V CB 1.422 33.075 31.823 -0.284 0.000 0.983 1393 V HN 0.870 nan 8.190 nan 0.000 0.445 1394 A N 4.856 127.390 122.820 -0.477 0.000 2.414 1394 A HA 0.920 5.240 4.320 -0.000 0.000 0.306 1394 A C -1.229 176.002 177.584 -0.589 0.000 1.054 1394 A CA -0.437 51.327 52.037 -0.454 0.000 0.724 1394 A CB 1.112 19.972 19.000 -0.234 0.000 1.267 1394 A HN 0.602 nan 8.150 nan 0.000 0.418 1395 F N 0.802 120.697 119.950 -0.090 0.000 2.470 1395 F HA 0.646 5.173 4.527 -0.000 0.000 0.329 1395 F C -0.211 175.499 175.800 -0.150 0.000 1.072 1395 F CA -0.917 57.023 58.000 -0.100 0.000 0.989 1395 F CB 1.695 40.652 39.000 -0.072 0.000 1.193 1395 F HN 0.263 nan 8.300 nan 0.000 0.481 1396 L N 3.176 124.413 121.223 0.022 0.000 2.287 1396 L HA 0.722 5.062 4.340 -0.000 0.000 0.287 1396 L C -0.117 176.727 176.870 -0.044 0.000 1.022 1396 L CA -0.348 54.429 54.840 -0.104 0.000 0.814 1396 L CB 0.313 42.255 42.059 -0.195 0.000 1.217 1396 L HN 0.717 nan 8.230 nan 0.000 0.420 1412 I N 0.726 121.293 120.570 -0.005 0.000 3.133 1412 I HA 0.700 4.870 4.170 -0.000 0.000 0.311 1412 I C -0.550 175.553 176.117 -0.023 0.000 1.072 1412 I CA -0.602 60.689 61.300 -0.015 0.000 1.015 1412 I CB 1.868 39.855 38.000 -0.021 0.000 1.233 1412 I HN 0.800 nan 8.210 nan 0.000 0.473 1413 E N 2.553 122.734 120.200 -0.033 0.000 2.355 1413 E HA 0.525 4.875 4.350 -0.000 0.000 0.261 1413 E C -1.251 175.303 176.600 -0.077 0.000 0.943 1413 E CA -0.571 55.804 56.400 -0.043 0.000 0.806 1413 E CB 1.676 31.361 29.700 -0.025 0.000 1.286 1413 E HN 0.376 nan 8.360 nan 0.000 0.424 1414 I N 0.195 120.709 120.570 -0.093 0.000 2.740 1414 I HA 0.580 4.750 4.170 -0.000 0.000 0.303 1414 I C -0.289 175.786 176.117 -0.070 0.000 1.044 1414 I CA -1.148 60.071 61.300 -0.135 0.000 1.064 1414 I CB 0.993 38.833 38.000 -0.267 0.000 1.249 1414 I HN 0.584 nan 8.210 nan 0.000 0.433 1415 I N 2.627 123.173 120.570 -0.040 0.000 2.509 1415 I HA 0.629 4.799 4.170 -0.000 0.000 0.293 1415 I C -0.916 175.206 176.117 0.009 0.000 1.020 1415 I CA -0.835 60.471 61.300 0.009 0.000 1.088 1415 I CB 2.302 40.336 38.000 0.057 0.000 1.267 1415 I HN 0.436 nan 8.210 nan 0.000 0.430 1416 I N 4.712 125.284 120.570 0.003 0.000 2.392 1416 I HA 0.667 4.837 4.170 -0.000 0.000 0.295 1416 I C 0.655 176.786 176.117 0.023 0.000 0.985 1416 I CA -0.455 60.833 61.300 -0.020 0.000 1.221 1416 I CB 1.800 39.782 38.000 -0.030 0.000 1.366 1416 I HN 0.896 nan 8.210 nan 0.000 0.467 1417 A N 6.167 128.986 122.820 -0.002 0.000 3.179 1417 A HA 0.517 4.836 4.320 -0.000 0.000 0.213 1417 A C -0.141 177.449 177.584 0.010 0.000 1.752 1417 A CA -0.477 51.584 52.037 0.040 0.000 0.857 1417 A CB 0.307 19.288 19.000 -0.032 0.000 1.798 1417 A HN 0.777 nan 8.150 nan 0.000 0.606 1418 K N -0.333 120.074 120.400 0.011 0.000 2.258 1418 K HA 0.424 4.744 4.320 -0.000 0.000 0.264 1418 K C -0.406 176.192 176.600 -0.003 0.000 1.007 1418 K CA -0.342 55.954 56.287 0.014 0.000 0.941 1418 K CB 0.359 32.873 32.500 0.022 0.000 0.966 1418 K HN 0.625 nan 8.250 nan 0.000 0.480 1419 Q N 0.852 120.657 119.800 0.008 0.000 2.252 1419 Q HA 0.461 4.801 4.340 -0.000 0.000 0.256 1419 Q C 0.086 176.094 176.000 0.013 0.000 1.020 1419 Q CA -0.757 55.052 55.803 0.009 0.000 0.913 1419 Q CB 1.338 30.083 28.738 0.012 0.000 1.286 1419 Q HN 0.590 nan 8.270 nan 0.000 0.480 1420 R N -0.556 119.954 120.500 0.015 0.000 2.612 1420 R HA 0.267 4.606 4.340 -0.000 0.000 0.260 1420 R C -0.685 175.623 176.300 0.014 0.000 0.943 1420 R CA 0.504 56.614 56.100 0.017 0.000 1.036 1420 R CB 0.260 30.574 30.300 0.024 0.000 1.520 1420 R HN 1.015 nan 8.270 nan 0.000 0.563 1421 N N -1.956 116.752 118.700 0.014 0.000 3.157 1421 N HA 0.307 5.047 4.740 -0.000 0.000 0.291 1421 N C -0.151 175.362 175.510 0.005 0.000 1.515 1421 N CA -0.506 52.548 53.050 0.007 0.000 0.807 1421 N CB -0.149 38.347 38.487 0.015 0.000 1.672 1421 N HN -0.102 nan 8.380 nan 0.000 0.592 1422 G N 0.433 109.233 108.800 -0.000 0.000 2.138 1422 G HA2 0.145 4.105 3.960 -0.000 0.000 0.263 1422 G HA3 0.145 4.105 3.960 -0.000 0.000 0.263 1422 G C -1.666 173.239 174.900 0.008 0.000 1.103 1422 G CA -0.298 44.803 45.100 0.002 0.000 1.014 1422 G HN 0.435 nan 8.290 nan 0.000 0.418 1423 P HA -0.146 nan 4.420 nan 0.000 0.219 1423 P C 0.579 177.888 177.300 0.016 0.000 0.910 1423 P CA 0.678 63.787 63.100 0.015 0.000 1.033 1423 P CB 0.072 31.784 31.700 0.021 0.000 0.630 1424 V N -1.275 118.652 119.914 0.021 0.000 2.435 1424 V HA 0.754 4.873 4.120 -0.000 0.000 0.290 1424 V C 0.635 176.740 176.094 0.017 0.000 1.030 1424 V CA 0.117 62.430 62.300 0.023 0.000 0.881 1424 V CB 0.733 32.575 31.823 0.032 0.000 0.983 1424 V HN 0.583 nan 8.190 nan 0.000 0.445 1425 G N 1.888 110.696 108.800 0.013 0.000 2.600 1425 G HA2 0.948 4.908 3.960 -0.000 0.000 0.293 1425 G HA3 0.948 4.908 3.960 -0.000 0.000 0.293 1425 G C -0.758 174.144 174.900 0.004 0.000 1.408 1425 G CA 0.435 45.541 45.100 0.010 0.000 0.782 1425 G HN 1.182 nan 8.290 nan 0.000 0.482 1426 T N 0.000 114.556 114.554 0.003 0.000 3.816 1426 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1426 T CA 0.000 nan 62.100 nan 0.000 1.349 1426 T CB 0.000 nan 68.868 nan 0.000 0.612 1426 T HN 0.000 nan 8.240 nan 0.000 0.658