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 1xtb_1_B DATA FIRST_RESID 1001 DATA SEQUENCE AALTRNPQFQ KLQQWHREHG SELNLRHLFD TDKERFNHFS LTLNTNHGHI DATA SEQUENCE LLDYSKNLVT EEVMHMLLDL AKSRGVEAAR ESMFNGEKIN STEDRAVLHV DATA SEQUENCE ALRNRSNTPI VVDGKDVMPE VNKVLDKMKA FCQRVRSGDW KGYTGKTITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSSGGPRV WFVSNIDGTH IAKTLACLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AKTAKDWFLL SAKDPSTVAK HFVALSTNTA DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA MLGIWYINCF GCETQAVLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGARV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKS TEEARKELQA DATA SEQUENCE AGKSPEDLMK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GVVWDINSFD QWGVELGKQL AKKIEPELDG SSPVTSHDSS TNGLINFIKQ DATA SEQUENCE QREAKI 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 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.627 177.584 0.072 0.000 1.274 1001 A CA 0.000 52.077 52.037 0.066 0.000 0.836 1001 A CB 0.000 19.058 19.000 0.096 0.000 0.831 1002 A N 1.627 124.483 122.820 0.060 0.000 1.873 1002 A HA -0.012 4.313 4.320 0.010 0.000 0.218 1002 A C 1.998 179.575 177.584 -0.011 0.000 1.193 1002 A CA 2.283 54.338 52.037 0.030 0.000 0.629 1002 A CB -0.597 18.418 19.000 0.025 0.000 0.826 1002 A HN 1.906 nan 8.150 nan 0.000 0.447 1003 L N 0.579 121.760 121.223 -0.069 0.000 1.990 1003 L HA -0.186 4.160 4.340 0.010 0.000 0.213 1003 L C 2.791 179.463 176.870 -0.328 0.000 1.072 1003 L CA 3.210 57.862 54.840 -0.313 0.000 0.755 1003 L CB -1.214 40.445 42.059 -0.667 0.000 0.889 1003 L HN 0.613 nan 8.230 nan 0.000 0.432 1004 T N -3.390 111.067 114.554 -0.162 0.000 2.929 1004 T HA -0.179 4.177 4.350 0.010 0.000 0.271 1004 T C 1.927 176.726 174.700 0.166 0.000 1.085 1004 T CA 1.188 63.337 62.100 0.082 0.000 1.125 1004 T CB -0.489 68.479 68.868 0.167 0.000 0.874 1004 T HN 0.435 nan 8.240 nan 0.000 0.494 1005 R N 0.775 121.330 120.500 0.093 0.000 2.246 1005 R HA 0.228 4.574 4.340 0.010 0.000 0.199 1005 R C 0.632 176.989 176.300 0.095 0.000 0.984 1005 R CA -0.074 56.080 56.100 0.090 0.000 1.015 1005 R CB -0.225 30.110 30.300 0.058 0.000 0.930 1005 R HN 0.423 nan 8.270 nan 0.000 0.475 1006 N N 2.065 120.825 118.700 0.100 0.000 2.454 1006 N HA -0.021 4.725 4.740 0.010 0.000 0.260 1006 N C -1.531 174.064 175.510 0.143 0.000 1.218 1006 N CA -1.043 52.068 53.050 0.102 0.000 0.904 1006 N CB 1.028 39.568 38.487 0.088 0.000 1.065 1006 N HN -0.137 nan 8.380 nan 0.000 0.462 1007 P HA -0.115 nan 4.420 nan 0.000 0.220 1007 P C 0.490 177.830 177.300 0.068 0.000 1.152 1007 P CA 1.130 64.274 63.100 0.074 0.000 0.812 1007 P CB 0.381 32.108 31.700 0.046 0.000 0.792 1008 Q N -1.048 118.792 119.800 0.066 0.000 2.167 1008 Q HA -0.066 4.280 4.340 0.010 0.000 0.202 1008 Q C 1.943 177.991 176.000 0.080 0.000 0.970 1008 Q CA 1.111 56.938 55.803 0.040 0.000 0.855 1008 Q CB -1.270 27.474 28.738 0.009 0.000 0.911 1008 Q HN 0.243 nan 8.270 nan 0.000 0.438 1009 F N 0.876 120.825 119.950 -0.002 0.000 2.113 1009 F HA -0.162 4.370 4.527 0.009 0.000 0.297 1009 F C 1.917 177.746 175.800 0.047 0.000 1.103 1009 F CA 1.279 59.289 58.000 0.017 0.000 1.248 1009 F CB -0.009 38.993 39.000 0.003 0.000 0.999 1009 F HN 0.001 nan 8.300 nan 0.000 0.475 1010 Q N 0.864 120.649 119.800 -0.025 0.000 2.084 1010 Q HA -0.239 4.107 4.340 0.010 0.000 0.202 1010 Q C 2.315 178.262 176.000 -0.089 0.000 0.978 1010 Q CA 1.742 57.488 55.803 -0.096 0.000 0.844 1010 Q CB -0.652 28.110 28.738 0.040 0.000 0.898 1010 Q HN 0.505 nan 8.270 nan 0.000 0.426 1011 K N 0.479 120.864 120.400 -0.025 0.000 2.026 1011 K HA -0.171 4.155 4.320 0.010 0.000 0.208 1011 K C 2.151 178.779 176.600 0.045 0.000 1.048 1011 K CA 0.926 57.226 56.287 0.022 0.000 0.929 1011 K CB -0.174 32.342 32.500 0.028 0.000 0.713 1011 K HN 0.092 nan 8.250 nan 0.000 0.439 1012 L N 1.861 123.072 121.223 -0.019 0.000 2.012 1012 L HA -0.229 4.117 4.340 0.010 0.000 0.210 1012 L C 2.625 179.561 176.870 0.111 0.000 1.073 1012 L CA 1.923 56.787 54.840 0.041 0.000 0.748 1012 L CB -0.664 41.389 42.059 -0.011 0.000 0.891 1012 L HN 0.357 nan 8.230 nan 0.000 0.431 1013 Q N -1.222 118.477 119.800 -0.168 0.000 2.084 1013 Q HA -0.310 4.035 4.340 0.010 0.000 0.202 1013 Q C 2.299 178.300 176.000 0.001 0.000 0.978 1013 Q CA 2.026 57.722 55.803 -0.178 0.000 0.844 1013 Q CB -0.179 28.288 28.738 -0.450 0.000 0.898 1013 Q HN 0.603 nan 8.270 nan 0.000 0.426 1014 Q N -0.277 119.525 119.800 0.003 0.000 2.084 1014 Q HA -0.182 4.164 4.340 0.010 0.000 0.202 1014 Q C 1.462 177.481 176.000 0.031 0.000 0.978 1014 Q CA 2.038 57.846 55.803 0.008 0.000 0.844 1014 Q CB -0.667 28.078 28.738 0.011 0.000 0.898 1014 Q HN 0.599 nan 8.270 nan 0.000 0.426 1015 W N -0.137 121.144 121.300 -0.031 0.000 2.355 1015 W HA -0.222 4.444 4.660 0.009 0.000 0.309 1015 W C 2.311 178.820 176.519 -0.016 0.000 1.206 1015 W CA 2.173 59.510 57.345 -0.014 0.000 1.284 1015 W CB -0.551 28.977 29.460 0.115 0.000 1.145 1015 W HN 0.496 nan 8.180 nan 0.000 0.502 1016 H N 0.138 119.444 119.070 0.394 0.000 2.352 1016 H HA -0.119 4.442 4.556 0.009 0.000 0.299 1016 H C 2.294 177.520 175.328 -0.169 0.000 1.097 1016 H CA 2.531 58.684 56.048 0.175 0.000 1.311 1016 H CB -0.235 29.495 29.762 -0.054 0.000 1.377 1016 H HN 0.019 nan 8.280 nan 0.000 0.504 1017 R N 0.123 120.510 120.500 -0.189 0.000 2.152 1017 R HA -0.096 4.250 4.340 0.010 0.000 0.232 1017 R C 1.978 178.062 176.300 -0.360 0.000 1.117 1017 R CA 1.576 57.519 56.100 -0.261 0.000 0.981 1017 R CB -0.042 30.178 30.300 -0.133 0.000 0.870 1017 R HN 0.625 nan 8.270 nan 0.000 0.451 1018 E N -0.953 118.943 120.200 -0.506 0.000 2.216 1018 E HA -0.033 4.323 4.350 0.010 0.000 0.192 1018 E C 0.932 177.041 176.600 -0.817 0.000 0.973 1018 E CA 0.601 56.580 56.400 -0.701 0.000 0.851 1018 E CB 0.347 29.479 29.700 -0.946 0.000 0.804 1018 E HN 0.485 nan 8.360 nan 0.000 0.477 1019 H N -1.807 116.874 119.070 -0.649 0.000 3.535 1019 H HA 0.219 4.781 4.556 0.010 0.000 0.260 1019 H C 1.811 176.874 175.328 -0.442 0.000 1.173 1019 H CA 0.542 56.187 56.048 -0.672 0.000 1.168 1019 H CB 0.123 29.174 29.762 -1.186 0.000 1.568 1019 H HN 0.146 nan 8.280 nan 0.000 0.602 1020 G N 1.807 110.377 108.800 -0.383 0.000 2.599 1020 G HA2 -0.353 3.612 3.960 0.010 0.000 0.219 1020 G HA3 -0.353 3.612 3.960 0.010 0.000 0.219 1020 G C 1.812 176.697 174.900 -0.026 0.000 1.193 1020 G CA 2.124 47.051 45.100 -0.288 0.000 0.778 1020 G HN 0.492 nan 8.290 nan 0.000 0.589 1021 S N 0.389 116.012 115.700 -0.128 0.000 2.547 1021 S HA 0.033 4.509 4.470 0.010 0.000 0.235 1021 S C 1.764 176.408 174.600 0.073 0.000 0.980 1021 S CA 1.423 59.640 58.200 0.029 0.000 0.941 1021 S CB -0.138 63.045 63.200 -0.029 0.000 0.763 1021 S HN 0.669 nan 8.310 nan 0.000 0.532 1022 E N 0.788 121.026 120.200 0.063 0.000 2.318 1022 E HA 0.185 4.541 4.350 0.010 0.000 0.193 1022 E C -0.047 176.641 176.600 0.147 0.000 0.998 1022 E CA -0.068 56.375 56.400 0.072 0.000 0.859 1022 E CB -0.143 29.577 29.700 0.034 0.000 0.812 1022 E HN 0.527 nan 8.360 nan 0.000 0.492 1023 L N 2.812 124.179 121.223 0.240 0.000 2.534 1023 L HA 0.045 4.391 4.340 0.010 0.000 0.271 1023 L C 0.306 177.326 176.870 0.251 0.000 1.178 1023 L CA 0.085 55.105 54.840 0.300 0.000 0.907 1023 L CB -0.053 42.267 42.059 0.436 0.000 1.164 1023 L HN 0.083 nan 8.230 nan 0.000 0.482 1024 N N 4.171 123.014 118.700 0.238 0.000 2.504 1024 N HA 0.220 4.966 4.740 0.010 0.000 0.280 1024 N C 0.781 176.434 175.510 0.239 0.000 1.052 1024 N CA -0.460 52.718 53.050 0.214 0.000 0.887 1024 N CB 1.516 40.111 38.487 0.180 0.000 1.323 1024 N HN 0.564 nan 8.380 nan 0.000 0.509 1025 L N 2.572 123.928 121.223 0.222 0.000 2.010 1025 L HA -0.241 4.104 4.340 0.010 0.000 0.219 1025 L C 2.596 179.674 176.870 0.345 0.000 1.077 1025 L CA 1.643 56.649 54.840 0.277 0.000 0.773 1025 L CB -0.304 41.909 42.059 0.256 0.000 0.892 1025 L HN 0.590 nan 8.230 nan 0.000 0.436 1026 R N -0.913 119.737 120.500 0.250 0.000 2.103 1026 R HA -0.259 4.087 4.340 0.010 0.000 0.242 1026 R C 2.452 178.900 176.300 0.247 0.000 1.142 1026 R CA 1.991 58.221 56.100 0.217 0.000 0.960 1026 R CB -0.299 30.087 30.300 0.143 0.000 0.858 1026 R HN 0.413 nan 8.270 nan 0.000 0.439 1027 H N 0.168 119.322 119.070 0.140 0.000 2.357 1027 H HA -0.036 4.526 4.556 0.010 0.000 0.301 1027 H C 1.884 177.277 175.328 0.109 0.000 1.082 1027 H CA 1.936 58.050 56.048 0.110 0.000 1.342 1027 H CB -0.212 29.605 29.762 0.091 0.000 1.389 1027 H HN 0.164 nan 8.280 nan 0.000 0.511 1028 L N -1.009 120.233 121.223 0.030 0.000 2.042 1028 L HA -0.179 4.167 4.340 0.010 0.000 0.210 1028 L C 2.142 178.925 176.870 -0.145 0.000 1.076 1028 L CA 1.395 56.170 54.840 -0.107 0.000 0.749 1028 L CB -0.530 41.482 42.059 -0.078 0.000 0.893 1028 L HN 0.256 nan 8.230 nan 0.000 0.432 1029 F N 0.232 120.175 119.950 -0.012 0.000 2.206 1029 F HA -0.181 4.351 4.527 0.010 0.000 0.298 1029 F C 2.270 178.055 175.800 -0.026 0.000 1.090 1029 F CA 1.191 59.190 58.000 -0.002 0.000 1.323 1029 F CB -0.294 38.712 39.000 0.011 0.000 1.028 1029 F HN 0.092 nan 8.300 nan 0.000 0.492 1030 D N -0.823 119.663 120.400 0.143 0.000 2.218 1030 D HA -0.118 4.527 4.640 0.010 0.000 0.204 1030 D C 2.125 178.419 176.300 -0.010 0.000 0.976 1030 D CA 1.809 55.849 54.000 0.067 0.000 0.853 1030 D CB -0.541 40.305 40.800 0.077 0.000 0.939 1030 D HN 0.299 nan 8.370 nan 0.000 0.481 1031 T N -3.102 111.389 114.554 -0.106 0.000 3.092 1031 T HA 0.109 4.465 4.350 0.010 0.000 0.258 1031 T C 0.057 174.706 174.700 -0.085 0.000 1.031 1031 T CA -0.444 61.581 62.100 -0.125 0.000 0.925 1031 T CB 0.502 69.210 68.868 -0.265 0.000 1.036 1031 T HN -0.203 nan 8.240 nan 0.000 0.544 1032 D N 1.169 121.527 120.400 -0.069 0.000 2.328 1032 D HA 0.188 4.834 4.640 0.010 0.000 0.243 1032 D C 0.790 177.057 176.300 -0.055 0.000 1.324 1032 D CA -0.566 53.394 54.000 -0.067 0.000 0.966 1032 D CB 1.400 42.152 40.800 -0.080 0.000 1.324 1032 D HN 0.153 nan 8.370 nan 0.000 0.549 1033 K N 1.958 122.336 120.400 -0.036 0.000 2.360 1033 K HA -0.090 4.236 4.320 0.010 0.000 0.201 1033 K C 0.414 176.982 176.600 -0.052 0.000 1.046 1033 K CA 1.061 57.340 56.287 -0.014 0.000 0.940 1033 K CB 0.352 32.843 32.500 -0.014 0.000 0.748 1033 K HN 0.226 nan 8.250 nan 0.000 0.465 1034 E N 0.599 120.699 120.200 -0.167 0.000 2.463 1034 E HA -0.018 4.338 4.350 0.010 0.000 0.193 1034 E C 1.307 177.667 176.600 -0.400 0.000 1.041 1034 E CA -0.056 56.126 56.400 -0.363 0.000 0.879 1034 E CB 0.352 29.629 29.700 -0.704 0.000 0.997 1034 E HN 0.330 nan 8.360 nan 0.000 0.478 1035 R N 0.195 120.600 120.500 -0.157 0.000 2.094 1035 R HA -0.184 4.162 4.340 0.010 0.000 0.239 1035 R C 2.101 178.462 176.300 0.101 0.000 1.137 1035 R CA 1.471 57.549 56.100 -0.036 0.000 0.943 1035 R CB -0.312 29.777 30.300 -0.350 0.000 0.850 1035 R HN 0.137 nan 8.270 nan 0.000 0.433 1036 F N 2.067 122.044 119.950 0.046 0.000 2.095 1036 F HA -0.241 4.292 4.527 0.009 0.000 0.298 1036 F C 1.837 177.631 175.800 -0.010 0.000 1.104 1036 F CA 1.802 59.851 58.000 0.083 0.000 1.232 1036 F CB -0.427 38.636 39.000 0.106 0.000 0.987 1036 F HN 0.095 nan 8.300 nan 0.000 0.475 1037 N N -0.242 118.364 118.700 -0.156 0.000 2.166 1037 N HA -0.188 4.557 4.740 0.010 0.000 0.186 1037 N C 1.739 177.108 175.510 -0.235 0.000 1.019 1037 N CA 1.806 54.712 53.050 -0.241 0.000 0.856 1037 N CB -0.866 37.563 38.487 -0.097 0.000 0.993 1037 N HN 0.584 nan 8.380 nan 0.000 0.426 1038 H N -1.862 116.956 119.070 -0.419 0.000 2.502 1038 H HA 0.082 4.644 4.556 0.010 0.000 0.283 1038 H C 0.116 174.806 175.328 -1.064 0.000 1.015 1038 H CA 0.367 55.975 56.048 -0.732 0.000 1.298 1038 H CB 0.187 29.389 29.762 -0.933 0.000 1.411 1038 H HN 0.142 nan 8.280 nan 0.000 0.556 1039 F N 0.889 120.640 119.950 -0.332 0.000 2.818 1039 F HA 0.218 4.751 4.527 0.010 0.000 0.369 1039 F C -0.125 174.950 175.800 -1.208 0.000 1.327 1039 F CA -0.655 56.843 58.000 -0.837 0.000 1.211 1039 F CB 0.847 39.442 39.000 -0.676 0.000 1.036 1039 F HN -0.078 nan 8.300 nan 0.000 0.510 1040 S N 0.534 115.862 115.700 -0.621 0.000 2.546 1040 S HA 0.831 5.307 4.470 0.010 0.000 0.274 1040 S C -1.532 173.010 174.600 -0.096 0.000 1.121 1040 S CA -0.788 57.165 58.200 -0.413 0.000 0.887 1040 S CB 2.657 65.340 63.200 -0.861 0.000 1.094 1040 S HN 0.152 nan 8.310 nan 0.000 0.474 1041 L N 1.630 122.914 121.223 0.102 0.000 2.409 1041 L HA 0.698 5.043 4.340 0.010 0.000 0.272 1041 L C -0.889 176.069 176.870 0.147 0.000 0.980 1041 L CA 0.140 55.073 54.840 0.154 0.000 0.826 1041 L CB 2.139 44.349 42.059 0.251 0.000 1.268 1041 L HN 0.939 nan 8.230 nan 0.000 0.407 1042 T N 6.201 120.836 114.554 0.135 0.000 2.758 1042 T HA 0.588 4.944 4.350 0.010 0.000 0.285 1042 T C -0.407 174.393 174.700 0.167 0.000 0.981 1042 T CA -0.252 61.948 62.100 0.167 0.000 0.965 1042 T CB 0.589 69.565 68.868 0.179 0.000 0.927 1042 T HN 0.383 nan 8.240 nan 0.000 0.448 1043 L N 4.125 125.434 121.223 0.144 0.000 2.287 1043 L HA 0.493 4.839 4.340 0.010 0.000 0.287 1043 L C 0.495 177.313 176.870 -0.085 0.000 1.022 1043 L CA -0.713 54.195 54.840 0.114 0.000 0.814 1043 L CB 1.233 43.368 42.059 0.127 0.000 1.217 1043 L HN 0.605 nan 8.230 nan 0.000 0.420 1044 N N 1.249 119.861 118.700 -0.147 0.000 2.485 1044 N HA 0.112 4.858 4.740 0.010 0.000 0.243 1044 N C 0.846 176.150 175.510 -0.343 0.000 0.987 1044 N CA -0.265 52.464 53.050 -0.535 0.000 0.940 1044 N CB 1.130 39.351 38.487 -0.443 0.000 1.122 1044 N HN 0.725 nan 8.380 nan 0.000 0.509 1045 T N 0.627 114.832 114.554 -0.583 0.000 3.129 1045 T HA 0.125 4.481 4.350 0.010 0.000 0.251 1045 T C 0.604 175.012 174.700 -0.486 0.000 1.117 1045 T CA 0.316 61.934 62.100 -0.803 0.000 1.034 1045 T CB -0.451 67.864 68.868 -0.923 0.000 0.968 1045 T HN 0.842 nan 8.240 nan 0.000 0.526 1046 N N 0.103 118.542 118.700 -0.434 0.000 2.965 1046 N HA -0.173 4.573 4.740 0.010 0.000 0.232 1046 N C -0.365 174.652 175.510 -0.821 0.000 0.913 1046 N CA 1.186 53.930 53.050 -0.509 0.000 0.981 1046 N CB -1.011 37.186 38.487 -0.483 0.000 1.077 1046 N HN 0.555 nan 8.380 nan 0.000 0.589 1047 H N -0.764 118.060 119.070 -0.410 0.000 2.777 1047 H HA 0.473 5.035 4.556 0.010 0.000 0.244 1047 H C 0.821 176.007 175.328 -0.237 0.000 1.185 1047 H CA 0.739 56.520 56.048 -0.446 0.000 0.945 1047 H CB 0.756 29.899 29.762 -1.032 0.000 1.994 1047 H HN 0.404 nan 8.280 nan 0.000 0.638 1048 G N 0.528 109.279 108.800 -0.081 0.000 2.402 1048 G HA2 -0.069 3.897 3.960 0.010 0.000 0.666 1048 G HA3 -0.069 3.897 3.960 0.010 0.000 0.666 1048 G C -1.420 173.487 174.900 0.012 0.000 1.402 1048 G CA -1.008 44.124 45.100 0.054 0.000 0.920 1048 G HN 0.321 nan 8.290 nan 0.000 0.651 1049 H N -0.230 118.846 119.070 0.010 0.000 2.479 1049 H HA 0.651 5.213 4.556 0.010 0.000 0.335 1049 H C -0.126 175.248 175.328 0.076 0.000 1.142 1049 H CA -0.265 55.793 56.048 0.017 0.000 1.234 1049 H CB 2.039 31.822 29.762 0.034 0.000 1.503 1049 H HN 0.369 nan 8.280 nan 0.000 0.510 1050 I N 3.723 124.392 120.570 0.165 0.000 2.439 1050 I HA 0.051 4.227 4.170 0.010 0.000 0.285 1050 I C -0.924 175.309 176.117 0.193 0.000 1.021 1050 I CA -0.736 60.677 61.300 0.189 0.000 1.091 1050 I CB 1.995 40.058 38.000 0.105 0.000 1.242 1050 I HN 0.139 nan 8.210 nan 0.000 0.439 1051 L N 8.241 129.596 121.223 0.221 0.000 2.265 1051 L HA 0.513 4.858 4.340 0.010 0.000 0.289 1051 L C -1.082 175.934 176.870 0.243 0.000 1.033 1051 L CA -0.419 54.554 54.840 0.223 0.000 0.814 1051 L CB 1.348 43.546 42.059 0.232 0.000 1.203 1051 L HN 0.531 nan 8.230 nan 0.000 0.423 1052 L N 5.372 126.736 121.223 0.235 0.000 2.297 1052 L HA 0.479 4.825 4.340 0.010 0.000 0.277 1052 L C -0.870 176.189 176.870 0.316 0.000 1.040 1052 L CA -0.011 54.993 54.840 0.275 0.000 0.867 1052 L CB 0.605 42.815 42.059 0.251 0.000 1.244 1052 L HN 0.664 nan 8.230 nan 0.000 0.433 1053 D N 3.611 124.198 120.400 0.312 0.000 2.396 1053 D HA 0.144 4.790 4.640 0.010 0.000 0.225 1053 D C -0.220 176.262 176.300 0.304 0.000 1.121 1053 D CA -0.150 54.013 54.000 0.272 0.000 0.853 1053 D CB 0.468 41.498 40.800 0.385 0.000 1.043 1053 D HN 0.547 nan 8.370 nan 0.000 0.500 1054 Y N 1.443 121.870 120.300 0.211 0.000 2.681 1054 Y HA 0.243 4.798 4.550 0.009 0.000 0.267 1054 Y C 1.492 177.512 175.900 0.200 0.000 1.166 1054 Y CA -0.280 57.942 58.100 0.203 0.000 1.209 1054 Y CB -0.357 38.211 38.460 0.181 0.000 1.161 1054 Y HN 0.209 nan 8.280 nan 0.000 0.534 1055 S N 0.248 115.981 115.700 0.054 0.000 2.428 1055 S HA -0.064 4.412 4.470 0.010 0.000 0.230 1055 S C 1.107 175.843 174.600 0.225 0.000 1.014 1055 S CA 0.380 58.632 58.200 0.087 0.000 0.957 1055 S CB -0.294 63.078 63.200 0.287 0.000 0.784 1055 S HN 0.505 nan 8.310 nan 0.000 0.499 1056 K N 1.999 122.593 120.400 0.322 0.000 2.968 1056 K HA 0.251 4.577 4.320 0.010 0.000 0.249 1056 K C -0.392 176.345 176.600 0.228 0.000 1.062 1056 K CA -0.130 56.350 56.287 0.321 0.000 1.215 1056 K CB -0.196 32.391 32.500 0.145 0.000 1.097 1056 K HN 0.384 nan 8.250 nan 0.000 0.462 1057 N N 0.816 119.638 118.700 0.203 0.000 2.430 1057 N HA 0.231 4.977 4.740 0.010 0.000 0.298 1057 N C -0.111 175.531 175.510 0.221 0.000 1.130 1057 N CA -0.531 52.687 53.050 0.281 0.000 0.894 1057 N CB 1.485 40.178 38.487 0.343 0.000 1.209 1057 N HN 0.031 nan 8.380 nan 0.000 0.503 1058 L N 2.053 123.502 121.223 0.378 0.000 2.416 1058 L HA 0.128 4.474 4.340 0.010 0.000 0.243 1058 L C 0.097 177.218 176.870 0.419 0.000 1.373 1058 L CA -0.298 54.777 54.840 0.391 0.000 1.227 1058 L CB -0.856 41.470 42.059 0.446 0.000 1.428 1058 L HN 0.215 nan 8.230 nan 0.000 0.425 1059 V N -2.142 117.815 119.914 0.072 0.000 3.130 1059 V HA 0.891 5.016 4.120 0.010 0.000 0.310 1059 V C -0.123 175.812 176.094 -0.264 0.000 1.158 1059 V CA -0.485 61.724 62.300 -0.152 0.000 1.029 1059 V CB 2.130 33.757 31.823 -0.327 0.000 1.057 1059 V HN 0.302 nan 8.190 nan 0.000 0.436 1060 T N -2.102 112.332 114.554 -0.201 0.000 2.887 1060 T HA 0.540 4.895 4.350 0.010 0.000 0.292 1060 T C 0.553 175.309 174.700 0.093 0.000 1.087 1060 T CA -0.343 61.737 62.100 -0.033 0.000 1.009 1060 T CB 2.039 70.935 68.868 0.047 0.000 1.203 1060 T HN 0.716 nan 8.240 nan 0.000 0.518 1061 E N 0.618 120.976 120.200 0.263 0.000 2.097 1061 E HA -0.241 4.115 4.350 0.010 0.000 0.196 1061 E C 1.751 178.354 176.600 0.005 0.000 1.000 1061 E CA 1.864 58.355 56.400 0.152 0.000 0.804 1061 E CB -0.151 29.564 29.700 0.025 0.000 0.740 1061 E HN 0.914 nan 8.360 nan 0.000 0.454 1062 E N 0.734 120.899 120.200 -0.059 0.000 2.077 1062 E HA -0.151 4.204 4.350 0.010 0.000 0.193 1062 E C 2.176 178.576 176.600 -0.333 0.000 0.989 1062 E CA 1.193 57.504 56.400 -0.148 0.000 0.800 1062 E CB 0.169 29.788 29.700 -0.135 0.000 0.746 1062 E HN 0.014 nan 8.360 nan 0.000 0.452 1063 V N 1.054 120.669 119.914 -0.498 0.000 2.358 1063 V HA -0.260 3.865 4.120 0.010 0.000 0.246 1063 V C 2.463 178.250 176.094 -0.511 0.000 1.047 1063 V CA 1.535 63.385 62.300 -0.750 0.000 1.035 1063 V CB -0.387 30.878 31.823 -0.930 0.000 0.658 1063 V HN 0.413 nan 8.190 nan 0.000 0.452 1064 M N -0.488 118.950 119.600 -0.270 0.000 2.213 1064 M HA -0.169 4.317 4.480 0.010 0.000 0.263 1064 M C 2.167 178.409 176.300 -0.097 0.000 1.062 1064 M CA 1.841 57.061 55.300 -0.133 0.000 1.105 1064 M CB -1.522 31.134 32.600 0.094 0.000 1.385 1064 M HN 0.525 nan 8.290 nan 0.000 0.417 1065 H N 0.308 119.273 119.070 -0.176 0.000 2.326 1065 H HA 0.024 4.586 4.556 0.010 0.000 0.301 1065 H C 1.936 177.168 175.328 -0.161 0.000 1.081 1065 H CA 1.882 57.842 56.048 -0.146 0.000 1.334 1065 H CB -0.022 29.661 29.762 -0.133 0.000 1.385 1065 H HN 0.259 nan 8.280 nan 0.000 0.504 1066 M N -0.495 118.934 119.600 -0.285 0.000 2.117 1066 M HA -0.132 4.354 4.480 0.010 0.000 0.262 1066 M C 2.281 178.428 176.300 -0.255 0.000 1.065 1066 M CA 1.284 56.399 55.300 -0.307 0.000 1.114 1066 M CB -0.184 32.236 32.600 -0.300 0.000 1.361 1066 M HN 0.277 nan 8.290 nan 0.000 0.408 1067 L N 0.036 121.101 121.223 -0.263 0.000 2.017 1067 L HA -0.223 4.122 4.340 0.010 0.000 0.208 1067 L C 2.367 179.143 176.870 -0.155 0.000 1.073 1067 L CA 1.233 55.957 54.840 -0.194 0.000 0.745 1067 L CB -0.609 41.309 42.059 -0.236 0.000 0.894 1067 L HN 0.325 nan 8.230 nan 0.000 0.432 1068 L N -0.664 120.458 121.223 -0.167 0.000 2.093 1068 L HA -0.216 4.130 4.340 0.010 0.000 0.208 1068 L C 2.212 178.987 176.870 -0.159 0.000 1.085 1068 L CA 0.925 55.683 54.840 -0.136 0.000 0.755 1068 L CB -0.592 41.406 42.059 -0.102 0.000 0.904 1068 L HN 0.282 nan 8.230 nan 0.000 0.435 1069 D N -0.006 120.248 120.400 -0.244 0.000 2.144 1069 D HA -0.178 4.468 4.640 0.010 0.000 0.199 1069 D C 2.061 178.284 176.300 -0.128 0.000 0.984 1069 D CA 1.067 54.933 54.000 -0.224 0.000 0.834 1069 D CB -0.031 40.579 40.800 -0.316 0.000 0.955 1069 D HN 0.160 nan 8.370 nan 0.000 0.465 1070 L N 0.948 122.107 121.223 -0.106 0.000 2.056 1070 L HA -0.007 4.339 4.340 0.010 0.000 0.207 1070 L C 2.121 178.955 176.870 -0.060 0.000 1.078 1070 L CA 1.682 56.493 54.840 -0.048 0.000 0.749 1070 L CB -0.812 41.246 42.059 -0.000 0.000 0.901 1070 L HN -0.048 nan 8.230 nan 0.000 0.433 1071 A N -0.483 122.290 122.820 -0.077 0.000 1.908 1071 A HA -0.272 4.054 4.320 0.010 0.000 0.218 1071 A C 2.470 180.014 177.584 -0.066 0.000 1.181 1071 A CA 2.074 54.066 52.037 -0.076 0.000 0.627 1071 A CB -0.620 18.338 19.000 -0.069 0.000 0.818 1071 A HN 0.526 nan 8.150 nan 0.000 0.445 1072 K N 0.223 120.581 120.400 -0.070 0.000 2.001 1072 K HA -0.141 4.184 4.320 0.010 0.000 0.208 1072 K C 2.306 178.874 176.600 -0.052 0.000 1.048 1072 K CA 1.745 57.994 56.287 -0.063 0.000 0.932 1072 K CB -0.232 32.226 32.500 -0.071 0.000 0.715 1072 K HN 0.596 nan 8.250 nan 0.000 0.437 1073 S N 0.381 116.051 115.700 -0.050 0.000 2.442 1073 S HA -0.057 4.419 4.470 0.010 0.000 0.236 1073 S C 1.620 176.202 174.600 -0.030 0.000 1.007 1073 S CA 0.580 58.759 58.200 -0.034 0.000 0.965 1073 S CB -0.154 63.032 63.200 -0.024 0.000 0.773 1073 S HN 0.224 nan 8.310 nan 0.000 0.504 1074 R N 1.178 121.653 120.500 -0.042 0.000 2.320 1074 R HA 0.242 4.588 4.340 0.010 0.000 0.211 1074 R C 1.408 177.681 176.300 -0.045 0.000 0.931 1074 R CA 0.463 56.534 56.100 -0.048 0.000 1.071 1074 R CB -0.995 29.259 30.300 -0.076 0.000 1.025 1074 R HN 0.646 nan 8.270 nan 0.000 0.495 1075 G N 1.004 109.781 108.800 -0.039 0.000 2.273 1075 G HA2 -0.257 3.709 3.960 0.010 0.000 0.280 1075 G HA3 -0.257 3.709 3.960 0.010 0.000 0.280 1075 G C 0.920 175.805 174.900 -0.026 0.000 1.047 1075 G CA 0.401 45.483 45.100 -0.030 0.000 0.869 1075 G HN 0.207 nan 8.290 nan 0.000 0.502 1076 V N -0.234 119.660 119.914 -0.034 0.000 2.287 1076 V HA -0.210 3.916 4.120 0.010 0.000 0.248 1076 V C 2.655 178.767 176.094 0.029 0.000 1.053 1076 V CA 2.934 65.230 62.300 -0.008 0.000 1.027 1076 V CB -0.406 31.418 31.823 0.001 0.000 0.646 1076 V HN 0.716 nan 8.190 nan 0.000 0.447 1077 E N 0.313 120.492 120.200 -0.034 0.000 2.077 1077 E HA -0.176 4.180 4.350 0.010 0.000 0.193 1077 E C 2.305 178.868 176.600 -0.061 0.000 0.989 1077 E CA 1.291 57.635 56.400 -0.092 0.000 0.800 1077 E CB -0.375 29.250 29.700 -0.124 0.000 0.746 1077 E HN 0.603 nan 8.360 nan 0.000 0.452 1078 A N 1.491 124.294 122.820 -0.028 0.000 1.933 1078 A HA -0.069 4.256 4.320 0.010 0.000 0.218 1078 A C 2.378 179.991 177.584 0.049 0.000 1.175 1078 A CA 1.567 53.599 52.037 -0.010 0.000 0.628 1078 A CB -0.541 18.453 19.000 -0.009 0.000 0.814 1078 A HN 0.285 nan 8.150 nan 0.000 0.444 1079 A N -0.280 122.601 122.820 0.101 0.000 1.930 1079 A HA -0.117 4.208 4.320 0.010 0.000 0.217 1079 A C 2.239 180.077 177.584 0.424 0.000 1.175 1079 A CA 1.551 53.722 52.037 0.225 0.000 0.627 1079 A CB -0.486 18.608 19.000 0.157 0.000 0.815 1079 A HN 0.557 nan 8.150 nan 0.000 0.443 1080 R N -0.314 120.419 120.500 0.388 0.000 2.073 1080 R HA -0.166 4.179 4.340 0.010 0.000 0.234 1080 R C 1.844 178.217 176.300 0.122 0.000 1.134 1080 R CA 1.745 58.020 56.100 0.291 0.000 0.952 1080 R CB -0.257 29.988 30.300 -0.092 0.000 0.850 1080 R HN 0.422 nan 8.270 nan 0.000 0.433 1081 E N 0.473 120.666 120.200 -0.012 0.000 2.085 1081 E HA -0.132 4.224 4.350 0.010 0.000 0.194 1081 E C 2.071 178.688 176.600 0.028 0.000 0.994 1081 E CA 1.448 57.819 56.400 -0.047 0.000 0.801 1081 E CB -0.301 29.344 29.700 -0.091 0.000 0.743 1081 E HN 0.302 nan 8.360 nan 0.000 0.453 1082 S N 0.980 116.712 115.700 0.054 0.000 2.382 1082 S HA -0.153 4.323 4.470 0.010 0.000 0.228 1082 S C 1.915 176.522 174.600 0.012 0.000 1.027 1082 S CA 1.429 59.653 58.200 0.040 0.000 0.991 1082 S CB -0.201 63.043 63.200 0.073 0.000 0.823 1082 S HN 0.303 nan 8.310 nan 0.000 0.469 1083 M N 0.323 119.944 119.600 0.034 0.000 2.077 1083 M HA -0.083 4.402 4.480 0.010 0.000 0.261 1083 M C 1.524 177.685 176.300 -0.231 0.000 1.070 1083 M CA 1.735 56.944 55.300 -0.151 0.000 1.125 1083 M CB -0.276 32.127 32.600 -0.328 0.000 1.339 1083 M HN 0.241 nan 8.290 nan 0.000 0.409 1084 F N 1.131 120.925 119.950 -0.260 0.000 2.216 1084 F HA -0.164 4.369 4.527 0.010 0.000 0.300 1084 F C 1.899 177.564 175.800 -0.225 0.000 1.085 1084 F CA 1.165 59.013 58.000 -0.253 0.000 1.326 1084 F CB -0.717 38.141 39.000 -0.236 0.000 1.027 1084 F HN 0.323 nan 8.300 nan 0.000 0.497 1085 N N -0.105 118.585 118.700 -0.018 0.000 2.449 1085 N HA 0.069 4.815 4.740 0.010 0.000 0.191 1085 N C 1.659 177.087 175.510 -0.137 0.000 1.161 1085 N CA 0.996 54.001 53.050 -0.074 0.000 0.863 1085 N CB 0.061 38.516 38.487 -0.054 0.000 0.980 1085 N HN 0.334 nan 8.380 nan 0.000 0.458 1086 G N 0.931 109.611 108.800 -0.200 0.000 2.148 1086 G HA2 -0.287 3.679 3.960 0.010 0.000 0.254 1086 G HA3 -0.287 3.679 3.960 0.010 0.000 0.254 1086 G C -0.092 174.708 174.900 -0.167 0.000 0.981 1086 G CA -0.043 44.905 45.100 -0.254 0.000 0.670 1086 G HN 0.413 nan 8.290 nan 0.000 0.528 1087 E N 0.202 120.337 120.200 -0.108 0.000 2.390 1087 E HA 0.298 4.654 4.350 0.010 0.000 0.261 1087 E C 0.447 177.022 176.600 -0.042 0.000 1.076 1087 E CA -0.155 56.212 56.400 -0.055 0.000 0.905 1087 E CB 0.459 30.146 29.700 -0.023 0.000 0.984 1087 E HN 0.300 nan 8.360 nan 0.000 0.427 1088 K N 3.427 123.824 120.400 -0.004 0.000 2.155 1088 K HA 0.083 4.409 4.320 0.010 0.000 0.240 1088 K C 1.016 177.651 176.600 0.059 0.000 1.193 1088 K CA 0.004 56.309 56.287 0.029 0.000 1.104 1088 K CB -0.412 32.119 32.500 0.051 0.000 1.558 1088 K HN 0.512 nan 8.250 nan 0.000 0.313 1089 I N -1.909 118.694 120.570 0.054 0.000 2.761 1089 I HA -0.116 4.060 4.170 0.010 0.000 0.261 1089 I C 0.751 176.978 176.117 0.183 0.000 1.198 1089 I CA 0.593 61.964 61.300 0.119 0.000 1.482 1089 I CB -0.176 37.911 38.000 0.145 0.000 1.100 1089 I HN 0.323 nan 8.210 nan 0.000 0.445 1090 N N 2.342 121.140 118.700 0.163 0.000 2.744 1090 N HA -0.009 4.736 4.740 0.010 0.000 0.290 1090 N C 1.385 177.021 175.510 0.211 0.000 1.206 1090 N CA 0.333 53.527 53.050 0.240 0.000 1.119 1090 N CB 0.388 39.005 38.487 0.216 0.000 1.449 1090 N HN 0.445 nan 8.380 nan 0.000 0.514 1091 S N 0.572 116.395 115.700 0.204 0.000 2.368 1091 S HA -0.220 4.256 4.470 0.010 0.000 0.225 1091 S C 2.045 176.755 174.600 0.183 0.000 1.030 1091 S CA 1.737 60.036 58.200 0.165 0.000 0.999 1091 S CB -0.776 62.507 63.200 0.138 0.000 0.844 1091 S HN 0.670 nan 8.310 nan 0.000 0.459 1092 T N -0.303 114.399 114.554 0.247 0.000 2.995 1092 T HA 0.085 4.441 4.350 0.010 0.000 0.269 1092 T C 1.329 176.265 174.700 0.393 0.000 1.091 1092 T CA 1.107 63.388 62.100 0.302 0.000 1.128 1092 T CB -0.333 68.827 68.868 0.487 0.000 0.891 1092 T HN 0.616 nan 8.240 nan 0.000 0.492 1093 E N 0.366 120.775 120.200 0.348 0.000 2.562 1093 E HA 0.145 4.501 4.350 0.010 0.000 0.214 1093 E C -0.234 176.490 176.600 0.207 0.000 0.979 1093 E CA -0.058 56.528 56.400 0.311 0.000 1.002 1093 E CB 0.325 30.171 29.700 0.244 0.000 1.048 1093 E HN 0.431 nan 8.360 nan 0.000 0.488 1094 D N 1.682 122.190 120.400 0.179 0.000 2.812 1094 D HA -0.193 4.453 4.640 0.010 0.000 0.237 1094 D C -0.914 175.465 176.300 0.132 0.000 1.162 1094 D CA 0.856 54.937 54.000 0.135 0.000 0.740 1094 D CB -0.550 40.318 40.800 0.113 0.000 1.000 1094 D HN 0.118 nan 8.370 nan 0.000 0.416 1095 R N -0.190 120.395 120.500 0.141 0.000 2.808 1095 R HA 0.848 5.194 4.340 0.010 0.000 0.272 1095 R C -0.172 176.199 176.300 0.118 0.000 0.995 1095 R CA -0.561 55.629 56.100 0.150 0.000 0.917 1095 R CB 1.548 31.953 30.300 0.175 0.000 1.217 1095 R HN 0.134 nan 8.270 nan 0.000 0.471 1096 A N 1.025 123.920 122.820 0.125 0.000 2.272 1096 A HA 0.515 4.840 4.320 0.010 0.000 0.275 1096 A C -0.406 177.190 177.584 0.021 0.000 1.096 1096 A CA -0.380 51.666 52.037 0.014 0.000 0.822 1096 A CB 0.761 19.702 19.000 -0.098 0.000 1.088 1096 A HN 0.345 nan 8.150 nan 0.000 0.495 1097 V N 1.481 121.293 119.914 -0.170 0.000 2.340 1097 V HA 0.311 4.437 4.120 0.010 0.000 0.277 1097 V C -0.490 175.355 176.094 -0.415 0.000 1.017 1097 V CA 0.170 62.279 62.300 -0.318 0.000 0.820 1097 V CB 0.371 31.728 31.823 -0.776 0.000 1.028 1097 V HN 0.668 nan 8.190 nan 0.000 0.436 1098 L N 5.041 126.159 121.223 -0.175 0.000 2.783 1098 L HA 0.354 4.700 4.340 0.010 0.000 0.265 1098 L C 1.615 178.453 176.870 -0.053 0.000 1.398 1098 L CA -0.333 54.303 54.840 -0.341 0.000 0.802 1098 L CB 0.241 41.909 42.059 -0.652 0.000 1.126 1098 L HN 0.766 nan 8.230 nan 0.000 0.529 1099 H N -0.590 118.480 119.070 0.001 0.000 2.495 1099 H HA -0.061 4.500 4.556 0.010 0.000 0.287 1099 H C 1.925 177.206 175.328 -0.078 0.000 1.033 1099 H CA 1.504 57.616 56.048 0.106 0.000 1.307 1099 H CB -0.381 29.476 29.762 0.159 0.000 1.401 1099 H HN 0.462 nan 8.280 nan 0.000 0.555 1100 V N -0.366 119.266 119.914 -0.469 0.000 2.626 1100 V HA -0.009 4.117 4.120 0.010 0.000 0.252 1100 V C 2.769 178.723 176.094 -0.233 0.000 1.067 1100 V CA 1.262 63.315 62.300 -0.411 0.000 1.081 1100 V CB -1.114 30.239 31.823 -0.783 0.000 0.686 1100 V HN 0.450 nan 8.190 nan 0.000 0.468 1101 A N 0.716 123.399 122.820 -0.229 0.000 1.969 1101 A HA 0.060 4.386 4.320 0.010 0.000 0.218 1101 A C 2.200 179.789 177.584 0.008 0.000 1.169 1101 A CA 1.761 53.700 52.037 -0.164 0.000 0.635 1101 A CB -0.619 18.169 19.000 -0.353 0.000 0.810 1101 A HN 0.579 nan 8.150 nan 0.000 0.445 1102 L N -0.320 120.990 121.223 0.145 0.000 2.127 1102 L HA -0.151 4.195 4.340 0.010 0.000 0.211 1102 L C 2.289 179.238 176.870 0.133 0.000 1.089 1102 L CA 1.539 56.534 54.840 0.258 0.000 0.757 1102 L CB -0.325 41.971 42.059 0.395 0.000 0.899 1102 L HN 0.559 nan 8.230 nan 0.000 0.434 1103 R N -0.746 119.751 120.500 -0.006 0.000 2.613 1103 R HA 0.097 4.443 4.340 0.010 0.000 0.361 1103 R C 0.137 176.350 176.300 -0.145 0.000 1.072 1103 R CA -0.223 55.830 56.100 -0.078 0.000 1.089 1103 R CB -0.672 29.504 30.300 -0.207 0.000 1.343 1103 R HN 0.016 nan 8.270 nan 0.000 0.571 1104 N N 2.325 120.941 118.700 -0.139 0.000 2.819 1104 N HA 0.007 4.753 4.740 0.010 0.000 0.284 1104 N C 0.518 175.773 175.510 -0.425 0.000 1.196 1104 N CA -0.185 52.704 53.050 -0.267 0.000 1.114 1104 N CB 0.464 38.894 38.487 -0.095 0.000 1.437 1104 N HN 0.081 nan 8.380 nan 0.000 0.518 1105 R N 0.613 120.653 120.500 -0.767 0.000 2.241 1105 R HA -0.012 4.334 4.340 0.010 0.000 0.224 1105 R C 1.125 177.271 176.300 -0.258 0.000 1.101 1105 R CA 0.515 56.373 56.100 -0.403 0.000 0.995 1105 R CB -0.621 29.512 30.300 -0.280 0.000 0.870 1105 R HN 0.378 nan 8.270 nan 0.000 0.463 1106 S N 0.596 116.114 115.700 -0.305 0.000 2.461 1106 S HA -0.017 4.458 4.470 0.010 0.000 0.228 1106 S C 0.474 175.056 174.600 -0.029 0.000 1.005 1106 S CA 0.407 58.590 58.200 -0.029 0.000 0.942 1106 S CB -0.151 63.129 63.200 0.133 0.000 0.776 1106 S HN 0.477 nan 8.310 nan 0.000 0.514 1107 N N 0.685 119.346 118.700 -0.066 0.000 2.753 1107 N HA -0.145 4.601 4.740 0.010 0.000 0.251 1107 N C -0.365 175.129 175.510 -0.028 0.000 1.097 1107 N CA 0.648 53.674 53.050 -0.039 0.000 0.786 1107 N CB -1.515 36.961 38.487 -0.019 0.000 1.137 1107 N HN 0.550 nan 8.380 nan 0.000 0.566 1108 T N -0.166 114.377 114.554 -0.018 0.000 2.902 1108 T HA 0.239 4.595 4.350 0.010 0.000 0.301 1108 T C -2.006 172.669 174.700 -0.042 0.000 1.012 1108 T CA -1.148 60.940 62.100 -0.019 0.000 1.151 1108 T CB 1.028 69.893 68.868 -0.004 0.000 0.946 1108 T HN -0.021 nan 8.240 nan 0.000 0.542 1109 P HA 0.222 nan 4.420 nan 0.000 0.266 1109 P C -0.668 176.575 177.300 -0.095 0.000 1.195 1109 P CA -0.109 62.949 63.100 -0.071 0.000 0.768 1109 P CB 0.440 32.104 31.700 -0.059 0.000 0.838 1110 I N 2.911 123.397 120.570 -0.139 0.000 2.476 1110 I HA 0.185 4.361 4.170 0.010 0.000 0.281 1110 I C -0.140 175.848 176.117 -0.215 0.000 1.040 1110 I CA -1.078 60.109 61.300 -0.189 0.000 1.094 1110 I CB 2.024 39.865 38.000 -0.265 0.000 1.219 1110 I HN -0.009 nan 8.210 nan 0.000 0.450 1111 V N 7.054 126.867 119.914 -0.170 0.000 2.432 1111 V HA 0.389 4.515 4.120 0.010 0.000 0.275 1111 V C 0.070 176.063 176.094 -0.168 0.000 1.043 1111 V CA -0.522 61.687 62.300 -0.151 0.000 0.925 1111 V CB 1.824 33.588 31.823 -0.098 0.000 0.985 1111 V HN 0.395 nan 8.190 nan 0.000 0.466 1112 V N 3.986 123.801 119.914 -0.166 0.000 2.483 1112 V HA 0.443 4.569 4.120 0.010 0.000 0.297 1112 V C -0.160 175.900 176.094 -0.057 0.000 1.027 1112 V CA -0.588 61.628 62.300 -0.140 0.000 0.855 1112 V CB 1.525 33.218 31.823 -0.217 0.000 0.995 1112 V HN 0.982 nan 8.190 nan 0.000 0.424 1113 D N 4.166 124.548 120.400 -0.031 0.000 2.772 1113 D HA -0.187 4.459 4.640 0.010 0.000 0.233 1113 D C 1.274 177.569 176.300 -0.009 0.000 1.143 1113 D CA 1.699 55.697 54.000 -0.003 0.000 0.700 1113 D CB -1.119 39.697 40.800 0.026 0.000 1.076 1113 D HN 1.477 nan 8.370 nan 0.000 0.430 1114 G N -0.705 108.080 108.800 -0.025 0.000 2.159 1114 G HA2 -0.353 3.612 3.960 0.010 0.000 0.256 1114 G HA3 -0.353 3.612 3.960 0.010 0.000 0.256 1114 G C 0.208 175.092 174.900 -0.027 0.000 0.977 1114 G CA 0.795 45.881 45.100 -0.023 0.000 0.652 1114 G HN 0.505 nan 8.290 nan 0.000 0.531 1115 K N 0.144 120.521 120.400 -0.037 0.000 2.427 1115 K HA 0.415 4.741 4.320 0.010 0.000 0.252 1115 K C -1.322 175.233 176.600 -0.075 0.000 0.931 1115 K CA -1.008 55.255 56.287 -0.041 0.000 0.793 1115 K CB 1.865 34.354 32.500 -0.019 0.000 1.211 1115 K HN 0.081 nan 8.250 nan 0.000 0.426 1116 D N 1.810 122.166 120.400 -0.074 0.000 2.390 1116 D HA 0.007 4.653 4.640 0.010 0.000 0.249 1116 D C 0.952 177.178 176.300 -0.123 0.000 1.144 1116 D CA -0.273 53.666 54.000 -0.103 0.000 0.880 1116 D CB 1.398 42.153 40.800 -0.074 0.000 1.182 1116 D HN 0.304 nan 8.370 nan 0.000 0.451 1117 V N 2.002 121.797 119.914 -0.198 0.000 3.235 1117 V HA -0.064 4.062 4.120 0.010 0.000 0.259 1117 V C 1.977 177.957 176.094 -0.190 0.000 1.133 1117 V CA 0.241 62.397 62.300 -0.239 0.000 1.128 1117 V CB -0.473 31.086 31.823 -0.440 0.000 0.757 1117 V HN 0.437 nan 8.190 nan 0.000 0.469 1118 M N 0.850 120.366 119.600 -0.139 0.000 2.108 1118 M HA -0.008 4.478 4.480 0.010 0.000 0.261 1118 M C 0.250 176.538 176.300 -0.019 0.000 1.066 1118 M CA 1.615 56.872 55.300 -0.071 0.000 1.107 1118 M CB -2.714 29.852 32.600 -0.058 0.000 1.356 1118 M HN 0.320 nan 8.290 nan 0.000 0.406 1119 P HA -0.199 nan 4.420 nan 0.000 0.215 1119 P C 1.303 178.641 177.300 0.064 0.000 1.157 1119 P CA 1.633 64.748 63.100 0.025 0.000 0.874 1119 P CB -0.291 31.418 31.700 0.015 0.000 0.790 1120 E N -0.756 119.468 120.200 0.041 0.000 2.152 1120 E HA -0.097 4.259 4.350 0.010 0.000 0.192 1120 E C 1.777 178.525 176.600 0.247 0.000 0.983 1120 E CA 1.046 57.533 56.400 0.145 0.000 0.818 1120 E CB -1.134 28.628 29.700 0.102 0.000 0.758 1120 E HN 0.017 nan 8.360 nan 0.000 0.467 1121 V N 2.467 122.428 119.914 0.078 0.000 2.295 1121 V HA -0.254 3.872 4.120 0.010 0.000 0.246 1121 V C 1.999 178.280 176.094 0.312 0.000 1.049 1121 V CA 2.067 64.519 62.300 0.254 0.000 1.024 1121 V CB -0.663 31.247 31.823 0.145 0.000 0.648 1121 V HN 0.351 nan 8.190 nan 0.000 0.447 1122 N N 0.017 118.838 118.700 0.202 0.000 2.270 1122 N HA -0.144 4.602 4.740 0.010 0.000 0.181 1122 N C 1.834 177.464 175.510 0.201 0.000 1.016 1122 N CA 1.085 54.252 53.050 0.195 0.000 0.870 1122 N CB -0.266 38.298 38.487 0.127 0.000 0.979 1122 N HN 0.516 nan 8.380 nan 0.000 0.431 1123 K N 1.127 121.645 120.400 0.196 0.000 2.097 1123 K HA -0.046 4.280 4.320 0.010 0.000 0.206 1123 K C 1.690 178.414 176.600 0.205 0.000 1.049 1123 K CA 0.839 57.230 56.287 0.173 0.000 0.933 1123 K CB 0.157 32.756 32.500 0.165 0.000 0.717 1123 K HN -0.107 nan 8.250 nan 0.000 0.442 1124 V N 1.560 121.652 119.914 0.296 0.000 2.453 1124 V HA -0.209 3.917 4.120 0.010 0.000 0.247 1124 V C 2.260 178.559 176.094 0.341 0.000 1.048 1124 V CA 1.330 63.819 62.300 0.315 0.000 1.049 1124 V CB -0.311 31.749 31.823 0.395 0.000 0.672 1124 V HN 0.303 nan 8.190 nan 0.000 0.457 1125 L N -0.152 121.293 121.223 0.370 0.000 2.046 1125 L HA -0.180 4.165 4.340 0.010 0.000 0.208 1125 L C 2.405 179.411 176.870 0.227 0.000 1.077 1125 L CA 1.567 56.682 54.840 0.457 0.000 0.747 1125 L CB -0.693 41.668 42.059 0.503 0.000 0.896 1125 L HN 0.347 nan 8.230 nan 0.000 0.432 1126 D N -0.052 120.433 120.400 0.141 0.000 2.117 1126 D HA -0.207 4.438 4.640 0.010 0.000 0.197 1126 D C 2.071 178.381 176.300 0.016 0.000 0.987 1126 D CA 1.121 55.130 54.000 0.015 0.000 0.829 1126 D CB -0.071 40.761 40.800 0.053 0.000 0.961 1126 D HN 0.244 nan 8.370 nan 0.000 0.460 1127 K N 0.264 120.731 120.400 0.112 0.000 2.057 1127 K HA -0.104 4.222 4.320 0.010 0.000 0.207 1127 K C 2.204 178.989 176.600 0.308 0.000 1.049 1127 K CA 0.867 57.243 56.287 0.148 0.000 0.931 1127 K CB -0.032 32.518 32.500 0.083 0.000 0.714 1127 K HN 0.051 nan 8.250 nan 0.000 0.440 1128 M N 0.631 120.431 119.600 0.335 0.000 2.086 1128 M HA -0.187 4.299 4.480 0.010 0.000 0.261 1128 M C 2.374 178.704 176.300 0.050 0.000 1.067 1128 M CA 1.734 57.220 55.300 0.310 0.000 1.116 1128 M CB -0.245 32.570 32.600 0.358 0.000 1.348 1128 M HN 0.090 nan 8.290 nan 0.000 0.407 1129 K N 0.544 120.650 120.400 -0.489 0.000 2.026 1129 K HA -0.161 4.165 4.320 0.010 0.000 0.208 1129 K C 1.976 178.439 176.600 -0.228 0.000 1.048 1129 K CA 1.588 57.373 56.287 -0.837 0.000 0.929 1129 K CB -0.160 31.560 32.500 -1.300 0.000 0.713 1129 K HN 0.277 nan 8.250 nan 0.000 0.439 1130 A N 0.860 123.631 122.820 -0.082 0.000 1.883 1130 A HA -0.208 4.118 4.320 0.010 0.000 0.217 1130 A C 2.046 179.710 177.584 0.134 0.000 1.186 1130 A CA 1.676 53.738 52.037 0.041 0.000 0.624 1130 A CB -0.953 18.099 19.000 0.086 0.000 0.822 1130 A HN 0.545 nan 8.150 nan 0.000 0.444 1131 F N 0.527 120.522 119.950 0.075 0.000 2.134 1131 F HA -0.219 4.314 4.527 0.009 0.000 0.299 1131 F C 2.498 178.287 175.800 -0.019 0.000 1.097 1131 F CA 1.367 59.417 58.000 0.084 0.000 1.264 1131 F CB -0.824 38.297 39.000 0.202 0.000 1.001 1131 F HN 0.319 nan 8.300 nan 0.000 0.479 1132 C N 0.776 120.019 119.300 -0.095 0.000 2.413 1132 C HA -0.243 4.223 4.460 0.010 0.000 0.276 1132 C C 2.755 177.643 174.990 -0.171 0.000 1.236 1132 C CA 1.515 60.421 59.018 -0.187 0.000 1.735 1132 C CB -1.372 26.374 27.740 0.010 0.000 2.031 1132 C HN 0.566 nan 8.230 nan 0.000 0.474 1133 Q N 0.179 119.929 119.800 -0.082 0.000 2.061 1133 Q HA -0.217 4.128 4.340 0.010 0.000 0.204 1133 Q C 2.382 178.350 176.000 -0.052 0.000 0.984 1133 Q CA 1.532 57.308 55.803 -0.044 0.000 0.846 1133 Q CB -0.313 28.417 28.738 -0.014 0.000 0.902 1133 Q HN 0.651 nan 8.270 nan 0.000 0.421 1134 R N 0.082 120.551 120.500 -0.051 0.000 2.083 1134 R HA -0.132 4.213 4.340 0.010 0.000 0.237 1134 R C 2.384 178.665 176.300 -0.031 0.000 1.137 1134 R CA 1.567 57.676 56.100 0.015 0.000 0.951 1134 R CB -0.384 30.008 30.300 0.153 0.000 0.851 1134 R HN 0.104 nan 8.270 nan 0.000 0.434 1135 V N 0.928 120.685 119.914 -0.263 0.000 2.307 1135 V HA -0.223 3.903 4.120 0.010 0.000 0.245 1135 V C 2.303 178.307 176.094 -0.150 0.000 1.045 1135 V CA 1.704 63.829 62.300 -0.292 0.000 1.024 1135 V CB -0.498 30.924 31.823 -0.667 0.000 0.651 1135 V HN 0.314 nan 8.190 nan 0.000 0.449 1136 R N 1.000 121.414 120.500 -0.144 0.000 2.075 1136 R HA -0.118 4.228 4.340 0.010 0.000 0.232 1136 R C 2.526 178.806 176.300 -0.033 0.000 1.126 1136 R CA 1.736 57.791 56.100 -0.074 0.000 0.963 1136 R CB -0.656 29.610 30.300 -0.057 0.000 0.858 1136 R HN 0.678 nan 8.270 nan 0.000 0.435 1137 S N -0.685 115.002 115.700 -0.023 0.000 2.515 1137 S HA 0.031 4.507 4.470 0.010 0.000 0.231 1137 S C 1.500 176.105 174.600 0.010 0.000 0.987 1137 S CA 0.771 58.971 58.200 -0.001 0.000 0.936 1137 S CB 0.329 63.533 63.200 0.007 0.000 0.766 1137 S HN 0.558 nan 8.310 nan 0.000 0.528 1138 G N 1.039 109.848 108.800 0.015 0.000 2.175 1138 G HA2 -0.317 3.649 3.960 0.010 0.000 0.244 1138 G HA3 -0.317 3.649 3.960 0.010 0.000 0.244 1138 G C 0.388 175.318 174.900 0.051 0.000 0.982 1138 G CA 0.519 45.639 45.100 0.034 0.000 0.641 1138 G HN 0.583 nan 8.290 nan 0.000 0.527 1139 D N -0.940 119.494 120.400 0.057 0.000 2.117 1139 D HA -0.067 4.579 4.640 0.010 0.000 0.197 1139 D C 1.140 177.491 176.300 0.086 0.000 0.987 1139 D CA 0.839 54.875 54.000 0.060 0.000 0.829 1139 D CB -0.020 40.818 40.800 0.063 0.000 0.961 1139 D HN 0.404 nan 8.370 nan 0.000 0.460 1140 W N 2.166 123.431 121.300 -0.059 0.000 2.368 1140 W HA 0.211 4.877 4.660 0.010 0.000 0.316 1140 W C -0.566 175.926 176.519 -0.044 0.000 1.375 1140 W CA -0.222 57.092 57.345 -0.051 0.000 1.261 1140 W CB 0.408 29.802 29.460 -0.111 0.000 1.298 1140 W HN -0.161 nan 8.180 nan 0.000 0.539 1141 K N 4.365 124.650 120.400 -0.191 0.000 2.203 1141 K HA 0.488 4.814 4.320 0.010 0.000 0.251 1141 K C 0.472 177.020 176.600 -0.087 0.000 0.944 1141 K CA -0.617 55.627 56.287 -0.072 0.000 0.829 1141 K CB 1.613 34.065 32.500 -0.081 0.000 1.125 1141 K HN 0.612 nan 8.250 nan 0.000 0.430 1142 G N 0.411 109.239 108.800 0.046 0.000 2.621 1142 G HA2 0.039 4.005 3.960 0.010 0.000 0.271 1142 G HA3 0.039 4.005 3.960 0.010 0.000 0.271 1142 G C 0.618 175.670 174.900 0.254 0.000 1.236 1142 G CA -0.213 44.970 45.100 0.138 0.000 0.958 1142 G HN 0.729 nan 8.290 nan 0.000 0.512 1143 Y N -1.902 118.747 120.300 0.583 0.000 2.651 1143 Y HA 0.035 4.590 4.550 0.010 0.000 0.296 1143 Y C 1.837 177.842 175.900 0.175 0.000 1.150 1143 Y CA 1.189 59.492 58.100 0.337 0.000 1.348 1143 Y CB -0.376 38.318 38.460 0.390 0.000 0.983 1143 Y HN 0.316 nan 8.280 nan 0.000 0.555 1144 T N -4.150 110.240 114.554 -0.273 0.000 3.132 1144 T HA 0.514 4.870 4.350 0.010 0.000 0.274 1144 T C 1.366 176.005 174.700 -0.102 0.000 1.011 1144 T CA -0.000 61.945 62.100 -0.257 0.000 0.899 1144 T CB 0.084 68.691 68.868 -0.434 0.000 1.089 1144 T HN 0.757 nan 8.240 nan 0.000 0.543 1145 G N 1.727 110.500 108.800 -0.045 0.000 2.159 1145 G HA2 -0.247 3.719 3.960 0.010 0.000 0.256 1145 G HA3 -0.247 3.719 3.960 0.010 0.000 0.256 1145 G C -0.099 174.792 174.900 -0.014 0.000 0.977 1145 G CA 0.052 45.136 45.100 -0.026 0.000 0.652 1145 G HN 0.662 nan 8.290 nan 0.000 0.531 1146 K N 1.371 121.766 120.400 -0.007 0.000 2.118 1146 K HA 0.548 4.874 4.320 0.010 0.000 0.267 1146 K C 1.169 177.801 176.600 0.053 0.000 0.991 1146 K CA 0.023 56.320 56.287 0.018 0.000 0.916 1146 K CB 1.054 33.563 32.500 0.014 0.000 1.041 1146 K HN 0.315 nan 8.250 nan 0.000 0.455 1147 T N -1.010 113.576 114.554 0.053 0.000 2.698 1147 T HA 0.231 4.586 4.350 0.010 0.000 0.295 1147 T C 0.596 175.349 174.700 0.088 0.000 1.007 1147 T CA -0.711 61.432 62.100 0.073 0.000 0.980 1147 T CB 0.387 69.285 68.868 0.050 0.000 1.036 1147 T HN 0.203 nan 8.240 nan 0.000 0.526 1148 I N 2.245 122.863 120.570 0.080 0.000 2.325 1148 I HA 0.224 4.400 4.170 0.010 0.000 0.291 1148 I C 1.598 177.733 176.117 0.029 0.000 1.019 1148 I CA -0.375 60.957 61.300 0.054 0.000 1.302 1148 I CB 0.648 38.645 38.000 -0.005 0.000 1.401 1148 I HN 1.078 nan 8.210 nan 0.000 0.485 1149 T N 0.668 115.249 114.554 0.046 0.000 2.990 1149 T HA 0.250 4.606 4.350 0.010 0.000 0.250 1149 T C 0.198 174.937 174.700 0.065 0.000 1.041 1149 T CA -0.071 62.061 62.100 0.053 0.000 1.010 1149 T CB 0.142 69.053 68.868 0.073 0.000 1.003 1149 T HN 0.453 nan 8.240 nan 0.000 0.499 1150 D N 0.330 120.756 120.400 0.043 0.000 2.896 1150 D HA 0.601 5.246 4.640 0.010 0.000 0.241 1150 D C -1.577 174.673 176.300 -0.082 0.000 1.188 1150 D CA -0.498 53.539 54.000 0.062 0.000 0.879 1150 D CB 2.728 43.588 40.800 0.099 0.000 1.553 1150 D HN 0.006 nan 8.370 nan 0.000 0.515 1151 V N 2.784 122.654 119.914 -0.074 0.000 2.409 1151 V HA 0.461 4.587 4.120 0.010 0.000 0.291 1151 V C -0.681 175.261 176.094 -0.254 0.000 1.020 1151 V CA -0.641 61.530 62.300 -0.215 0.000 0.848 1151 V CB 1.150 32.849 31.823 -0.208 0.000 0.990 1151 V HN 0.434 nan 8.190 nan 0.000 0.430 1152 I N 4.886 125.197 120.570 -0.431 0.000 2.354 1152 I HA 0.348 4.523 4.170 0.010 0.000 0.286 1152 I C 0.305 176.237 176.117 -0.309 0.000 1.007 1152 I CA -0.076 60.983 61.300 -0.401 0.000 1.167 1152 I CB 1.243 38.886 38.000 -0.595 0.000 1.320 1152 I HN 0.506 nan 8.210 nan 0.000 0.458 1153 N N 7.707 126.170 118.700 -0.394 0.000 2.408 1153 N HA 0.342 5.087 4.740 0.010 0.000 0.257 1153 N C -0.982 174.455 175.510 -0.122 0.000 1.064 1153 N CA -0.187 52.695 53.050 -0.280 0.000 0.952 1153 N CB 0.861 39.100 38.487 -0.412 0.000 1.093 1153 N HN 0.512 nan 8.380 nan 0.000 0.490 1154 I N 2.954 123.495 120.570 -0.048 0.000 2.328 1154 I HA 0.467 4.643 4.170 0.010 0.000 0.287 1154 I C 0.699 176.790 176.117 -0.043 0.000 1.012 1154 I CA -0.492 60.786 61.300 -0.037 0.000 1.195 1154 I CB 1.505 39.497 38.000 -0.012 0.000 1.350 1154 I HN 0.550 nan 8.210 nan 0.000 0.464 1155 G N 6.088 114.870 108.800 -0.030 0.000 2.451 1155 G HA2 0.616 4.582 3.960 0.010 0.000 0.292 1155 G HA3 0.616 4.582 3.960 0.010 0.000 0.292 1155 G C -2.088 172.805 174.900 -0.011 0.000 1.427 1155 G CA -0.462 44.621 45.100 -0.028 0.000 0.792 1155 G HN 0.480 nan 8.290 nan 0.000 0.498 1156 I N -0.510 120.049 120.570 -0.017 0.000 2.969 1156 I HA 0.653 4.829 4.170 0.010 0.000 0.307 1156 I C 1.037 177.140 176.117 -0.023 0.000 1.149 1156 I CA 0.819 62.112 61.300 -0.011 0.000 1.008 1156 I CB 1.999 39.991 38.000 -0.013 0.000 1.232 1156 I HN 1.951 nan 8.210 nan 0.000 0.435 1157 G N 3.744 112.523 108.800 -0.034 0.000 2.629 1157 G HA2 -0.349 3.617 3.960 0.010 0.000 0.313 1157 G HA3 -0.349 3.617 3.960 0.010 0.000 0.313 1157 G C 0.923 175.775 174.900 -0.080 0.000 1.217 1157 G CA 0.541 45.603 45.100 -0.064 0.000 0.994 1157 G HN 1.378 nan 8.290 nan 0.000 0.549 1158 G N -0.635 108.117 108.800 -0.080 0.000 2.462 1158 G HA2 0.106 4.071 3.960 0.010 0.000 0.220 1158 G HA3 0.106 4.071 3.960 0.010 0.000 0.220 1158 G C 1.712 176.577 174.900 -0.059 0.000 1.121 1158 G CA 1.911 46.961 45.100 -0.084 0.000 0.758 1158 G HN 1.238 nan 8.290 nan 0.000 0.559 1159 S N -0.475 115.204 115.700 -0.034 0.000 2.660 1159 S HA 0.207 4.683 4.470 0.010 0.000 0.227 1159 S C 0.931 175.526 174.600 -0.007 0.000 0.948 1159 S CA 0.588 58.771 58.200 -0.029 0.000 0.948 1159 S CB 0.232 63.434 63.200 0.005 0.000 0.779 1159 S HN 0.638 nan 8.310 nan 0.000 0.487 1160 D N 0.307 120.696 120.400 -0.019 0.000 3.018 1160 D HA 0.195 4.841 4.640 0.010 0.000 0.198 1160 D C 1.524 177.764 176.300 -0.099 0.000 1.474 1160 D CA -0.284 53.717 54.000 0.002 0.000 1.429 1160 D CB -0.543 40.266 40.800 0.015 0.000 1.289 1160 D HN 0.107 nan 8.370 nan 0.000 0.310 1161 L N 0.811 121.976 121.223 -0.096 0.000 2.051 1161 L HA -0.062 4.283 4.340 0.010 0.000 0.214 1161 L C 2.301 179.117 176.870 -0.089 0.000 1.076 1161 L CA 1.929 56.708 54.840 -0.101 0.000 0.758 1161 L CB -0.658 41.357 42.059 -0.073 0.000 0.890 1161 L HN 0.344 nan 8.230 nan 0.000 0.433 1162 G N 0.301 109.085 108.800 -0.027 0.000 2.552 1162 G HA2 -0.232 3.734 3.960 0.010 0.000 0.216 1162 G HA3 -0.232 3.734 3.960 0.010 0.000 0.216 1162 G C -0.665 174.029 174.900 -0.343 0.000 1.240 1162 G CA 0.964 45.952 45.100 -0.187 0.000 0.796 1162 G HN 0.333 nan 8.290 nan 0.000 0.568 1163 P HA -0.087 nan 4.420 nan 0.000 0.218 1163 P C 2.097 179.115 177.300 -0.471 0.000 1.148 1163 P CA 0.845 63.827 63.100 -0.196 0.000 0.822 1163 P CB -0.066 31.677 31.700 0.072 0.000 0.784 1164 L N -0.707 119.981 121.223 -0.892 0.000 1.994 1164 L HA -0.095 4.250 4.340 0.010 0.000 0.208 1164 L C 2.534 179.045 176.870 -0.597 0.000 1.071 1164 L CA 1.960 56.031 54.840 -1.281 0.000 0.745 1164 L CB -1.532 39.907 42.059 -1.033 0.000 0.892 1164 L HN -0.141 nan 8.230 nan 0.000 0.431 1165 M N -1.035 118.303 119.600 -0.436 0.000 2.080 1165 M HA -0.164 4.322 4.480 0.010 0.000 0.260 1165 M C 2.139 178.273 176.300 -0.276 0.000 1.068 1165 M CA 2.184 57.285 55.300 -0.332 0.000 1.109 1165 M CB -0.526 31.874 32.600 -0.332 0.000 1.342 1165 M HN 0.204 nan 8.290 nan 0.000 0.405 1166 V N 0.694 120.420 119.914 -0.312 0.000 2.427 1166 V HA -0.228 3.898 4.120 0.010 0.000 0.248 1166 V C 2.581 178.602 176.094 -0.122 0.000 1.051 1166 V CA 2.158 64.320 62.300 -0.230 0.000 1.048 1166 V CB -1.549 30.106 31.823 -0.280 0.000 0.666 1166 V HN 0.684 nan 8.190 nan 0.000 0.456 1167 T N -2.313 112.185 114.554 -0.094 0.000 2.867 1167 T HA -0.167 4.188 4.350 0.010 0.000 0.268 1167 T C 1.718 176.459 174.700 0.069 0.000 1.057 1167 T CA 1.218 63.360 62.100 0.070 0.000 1.136 1167 T CB -0.234 68.695 68.868 0.103 0.000 0.874 1167 T HN 0.396 nan 8.240 nan 0.000 0.466 1168 E N 1.706 121.892 120.200 -0.023 0.000 2.072 1168 E HA 0.093 4.449 4.350 0.010 0.000 0.190 1168 E C 2.632 179.276 176.600 0.073 0.000 0.982 1168 E CA 1.253 57.692 56.400 0.065 0.000 0.803 1168 E CB -0.657 29.041 29.700 -0.003 0.000 0.755 1168 E HN 0.674 nan 8.360 nan 0.000 0.453 1169 A N 0.756 123.570 122.820 -0.010 0.000 1.969 1169 A HA -0.068 4.258 4.320 0.010 0.000 0.218 1169 A C 1.921 179.419 177.584 -0.142 0.000 1.169 1169 A CA 0.826 52.860 52.037 -0.006 0.000 0.635 1169 A CB -0.268 18.714 19.000 -0.030 0.000 0.810 1169 A HN 0.171 nan 8.150 nan 0.000 0.445 1170 L N -0.764 120.384 121.223 -0.125 0.000 2.928 1170 L HA 0.140 4.486 4.340 0.010 0.000 0.246 1170 L C 1.279 178.102 176.870 -0.078 0.000 1.239 1170 L CA -0.419 54.374 54.840 -0.079 0.000 1.035 1170 L CB 0.121 42.130 42.059 -0.082 0.000 1.360 1170 L HN 0.077 nan 8.230 nan 0.000 0.529 1171 K N 0.935 121.180 120.400 -0.259 0.000 2.074 1171 K HA -0.151 4.175 4.320 0.010 0.000 0.209 1171 K C -0.410 176.074 176.600 -0.194 0.000 1.048 1171 K CA 1.554 57.740 56.287 -0.170 0.000 0.926 1171 K CB -1.254 31.195 32.500 -0.084 0.000 0.713 1171 K HN 0.259 nan 8.250 nan 0.000 0.444 1172 P HA -0.137 nan 4.420 nan 0.000 0.220 1172 P C 0.412 177.453 177.300 -0.432 0.000 1.144 1172 P CA 1.213 64.110 63.100 -0.339 0.000 0.800 1172 P CB -0.090 31.315 31.700 -0.491 0.000 0.772 1173 Y N -1.594 118.592 120.300 -0.191 0.000 2.625 1173 Y HA 0.189 4.745 4.550 0.009 0.000 0.285 1173 Y C 1.522 177.299 175.900 -0.205 0.000 1.168 1173 Y CA -0.072 57.934 58.100 -0.156 0.000 1.250 1173 Y CB -0.663 37.721 38.460 -0.126 0.000 1.130 1173 Y HN 0.011 nan 8.280 nan 0.000 0.526 1174 S N -1.722 113.866 115.700 -0.187 0.000 2.554 1174 S HA 0.074 4.550 4.470 0.010 0.000 0.226 1174 S C 0.557 175.021 174.600 -0.227 0.000 0.980 1174 S CA -0.373 57.600 58.200 -0.379 0.000 0.939 1174 S CB -0.582 62.060 63.200 -0.929 0.000 0.832 1174 S HN 0.241 nan 8.310 nan 0.000 0.486 1175 S N 0.900 116.521 115.700 -0.132 0.000 2.544 1175 S HA 0.503 4.979 4.470 0.010 0.000 0.290 1175 S C 1.387 175.952 174.600 -0.058 0.000 1.276 1175 S CA 0.276 58.428 58.200 -0.080 0.000 1.075 1175 S CB 0.138 63.300 63.200 -0.065 0.000 0.849 1175 S HN 1.475 nan 8.310 nan 0.000 0.494 1176 G N 3.254 112.031 108.800 -0.039 0.000 2.659 1176 G HA2 -0.133 3.832 3.960 0.010 0.000 0.212 1176 G HA3 -0.133 3.832 3.960 0.010 0.000 0.212 1176 G C 0.646 175.536 174.900 -0.017 0.000 1.226 1176 G CA 0.035 45.122 45.100 -0.022 0.000 0.739 1176 G HN 1.612 nan 8.290 nan 0.000 0.528 1177 G N 2.015 110.798 108.800 -0.029 0.000 2.647 1177 G HA2 0.453 4.419 3.960 0.010 0.000 0.234 1177 G HA3 0.453 4.419 3.960 0.010 0.000 0.234 1177 G C -1.522 173.399 174.900 0.036 0.000 1.252 1177 G CA 0.473 45.571 45.100 -0.003 0.000 0.846 1177 G HN 0.525 nan 8.290 nan 0.000 0.589 1178 P HA 0.202 nan 4.420 nan 0.000 0.274 1178 P C 0.134 177.469 177.300 0.058 0.000 1.256 1178 P CA -0.436 62.683 63.100 0.032 0.000 0.795 1178 P CB 0.570 32.264 31.700 -0.009 0.000 1.038 1179 R N 0.091 120.611 120.500 0.032 0.000 2.590 1179 R HA 0.311 4.657 4.340 0.010 0.000 0.274 1179 R C -0.663 175.543 176.300 -0.156 0.000 1.061 1179 R CA -0.313 55.750 56.100 -0.062 0.000 1.081 1179 R CB 0.128 30.407 30.300 -0.036 0.000 0.984 1179 R HN 0.244 nan 8.270 nan 0.000 0.448 1180 V N 3.356 123.026 119.914 -0.406 0.000 2.495 1180 V HA 0.372 4.498 4.120 0.010 0.000 0.298 1180 V C -0.798 174.961 176.094 -0.558 0.000 1.031 1180 V CA -0.750 61.280 62.300 -0.451 0.000 0.871 1180 V CB 1.260 32.736 31.823 -0.578 0.000 0.988 1180 V HN 0.675 nan 8.190 nan 0.000 0.432 1181 W N 3.335 124.339 121.300 -0.494 0.000 2.781 1181 W HA 0.784 5.449 4.660 0.009 0.000 0.345 1181 W C -1.009 175.125 176.519 -0.642 0.000 1.085 1181 W CA -0.809 56.323 57.345 -0.356 0.000 1.198 1181 W CB 1.378 30.683 29.460 -0.258 0.000 1.423 1181 W HN 0.326 nan 8.180 nan 0.000 0.532 1182 F N 1.740 121.750 119.950 0.101 0.000 2.499 1182 F HA 0.552 5.085 4.527 0.009 0.000 0.333 1182 F C -0.359 175.363 175.800 -0.131 0.000 1.138 1182 F CA -1.138 56.853 58.000 -0.014 0.000 0.945 1182 F CB 1.216 40.202 39.000 -0.023 0.000 1.181 1182 F HN -0.172 nan 8.300 nan 0.000 0.435 1183 V N 2.873 122.713 119.914 -0.124 0.000 2.459 1183 V HA 0.501 4.627 4.120 0.010 0.000 0.295 1183 V C 0.102 176.018 176.094 -0.297 0.000 1.029 1183 V CA -0.000 62.020 62.300 -0.466 0.000 0.874 1183 V CB 1.563 33.219 31.823 -0.278 0.000 0.985 1183 V HN 0.941 nan 8.190 nan 0.000 0.438 1184 S N 2.680 118.165 115.700 -0.357 0.000 3.552 1184 S HA 0.148 4.624 4.470 0.010 0.000 0.251 1184 S C 0.643 175.297 174.600 0.090 0.000 1.119 1184 S CA -0.222 57.968 58.200 -0.016 0.000 0.830 1184 S CB -0.157 63.098 63.200 0.092 0.000 0.946 1184 S HN 0.542 nan 8.310 nan 0.000 0.470 1185 N N 1.595 120.488 118.700 0.322 0.000 2.441 1185 N HA 0.157 4.903 4.740 0.010 0.000 0.251 1185 N C 0.728 176.312 175.510 0.123 0.000 1.242 1185 N CA 0.010 53.188 53.050 0.213 0.000 0.898 1185 N CB 0.912 39.527 38.487 0.214 0.000 1.100 1185 N HN 0.334 nan 8.380 nan 0.000 0.443 1186 I N 1.639 122.247 120.570 0.063 0.000 2.546 1186 I HA -0.070 4.105 4.170 0.010 0.000 0.255 1186 I C 0.297 176.441 176.117 0.045 0.000 1.163 1186 I CA 0.526 61.847 61.300 0.036 0.000 1.457 1186 I CB -0.616 37.394 38.000 0.017 0.000 1.092 1186 I HN 0.534 nan 8.210 nan 0.000 0.434 1187 D N 0.889 121.322 120.400 0.053 0.000 2.554 1187 D HA -0.050 4.596 4.640 0.010 0.000 0.251 1187 D C 1.664 178.000 176.300 0.060 0.000 1.213 1187 D CA 0.884 54.910 54.000 0.044 0.000 0.900 1187 D CB 0.556 41.373 40.800 0.029 0.000 1.135 1187 D HN 0.375 nan 8.370 nan 0.000 0.522 1188 G N 3.438 112.262 108.800 0.040 0.000 2.532 1188 G HA2 -0.338 3.628 3.960 0.010 0.000 0.222 1188 G HA3 -0.338 3.628 3.960 0.010 0.000 0.222 1188 G C 1.490 176.418 174.900 0.046 0.000 1.102 1188 G CA 1.247 46.369 45.100 0.037 0.000 0.742 1188 G HN 0.578 nan 8.290 nan 0.000 0.577 1189 T N -0.622 113.961 114.554 0.048 0.000 2.720 1189 T HA -0.132 4.223 4.350 0.010 0.000 0.268 1189 T C 1.894 176.651 174.700 0.095 0.000 1.037 1189 T CA 1.433 63.560 62.100 0.046 0.000 1.144 1189 T CB -0.363 68.516 68.868 0.020 0.000 0.864 1189 T HN 0.619 nan 8.240 nan 0.000 0.444 1190 H N -0.208 118.867 119.070 0.008 0.000 2.290 1190 H HA -0.006 4.556 4.556 0.010 0.000 0.298 1190 H C 2.327 177.652 175.328 -0.005 0.000 1.087 1190 H CA 1.388 57.446 56.048 0.017 0.000 1.291 1190 H CB -0.081 29.696 29.762 0.025 0.000 1.369 1190 H HN 0.262 nan 8.280 nan 0.000 0.492 1191 I N 0.012 120.630 120.570 0.079 0.000 2.617 1191 I HA -0.104 4.072 4.170 0.010 0.000 0.256 1191 I C 2.368 178.430 176.117 -0.092 0.000 1.167 1191 I CA 0.837 62.107 61.300 -0.049 0.000 1.469 1191 I CB -0.150 37.811 38.000 -0.065 0.000 1.098 1191 I HN 0.326 nan 8.210 nan 0.000 0.436 1192 A N 1.009 123.807 122.820 -0.038 0.000 1.877 1192 A HA -0.185 4.141 4.320 0.010 0.000 0.216 1192 A C 2.200 179.746 177.584 -0.065 0.000 1.186 1192 A CA 1.366 53.371 52.037 -0.054 0.000 0.620 1192 A CB -0.410 18.585 19.000 -0.007 0.000 0.822 1192 A HN 0.263 nan 8.150 nan 0.000 0.443 1193 K N -0.347 120.045 120.400 -0.014 0.000 2.283 1193 K HA -0.043 4.283 4.320 0.010 0.000 0.202 1193 K C 1.912 178.478 176.600 -0.057 0.000 1.048 1193 K CA 1.512 57.798 56.287 -0.001 0.000 0.948 1193 K CB -0.643 31.891 32.500 0.058 0.000 0.742 1193 K HN 0.539 nan 8.250 nan 0.000 0.458 1194 T N 1.968 116.451 114.554 -0.117 0.000 2.770 1194 T HA 0.040 4.395 4.350 0.010 0.000 0.258 1194 T C 2.012 176.400 174.700 -0.520 0.000 1.039 1194 T CA 0.587 62.497 62.100 -0.317 0.000 1.143 1194 T CB -0.116 68.602 68.868 -0.251 0.000 0.866 1194 T HN 0.076 nan 8.240 nan 0.000 0.428 1195 L N 1.110 122.043 121.223 -0.485 0.000 2.187 1195 L HA -0.067 4.279 4.340 0.010 0.000 0.213 1195 L C 2.927 179.562 176.870 -0.392 0.000 1.100 1195 L CA 0.935 55.342 54.840 -0.723 0.000 0.765 1195 L CB -0.679 40.757 42.059 -1.039 0.000 0.904 1195 L HN 0.253 nan 8.230 nan 0.000 0.437 1196 A N -1.180 121.512 122.820 -0.214 0.000 2.121 1196 A HA -0.160 4.166 4.320 0.010 0.000 0.218 1196 A C 1.953 179.512 177.584 -0.042 0.000 1.154 1196 A CA 1.305 53.310 52.037 -0.054 0.000 0.679 1196 A CB -0.697 18.290 19.000 -0.022 0.000 0.795 1196 A HN 0.585 nan 8.150 nan 0.000 0.458 1197 C N -0.399 118.804 119.300 -0.162 0.000 2.884 1197 C HA 0.568 5.034 4.460 0.010 0.000 0.287 1197 C C 0.451 175.347 174.990 -0.156 0.000 1.310 1197 C CA -0.691 58.253 59.018 -0.125 0.000 1.725 1197 C CB -1.954 25.708 27.740 -0.129 0.000 2.060 1197 C HN 0.433 nan 8.230 nan 0.000 0.618 1198 L N 1.049 122.197 121.223 -0.124 0.000 2.323 1198 L HA 0.527 4.873 4.340 0.010 0.000 0.265 1198 L C -0.408 176.632 176.870 0.283 0.000 1.012 1198 L CA -0.360 54.473 54.840 -0.011 0.000 0.820 1198 L CB 1.122 43.071 42.059 -0.184 0.000 1.334 1198 L HN 0.047 nan 8.230 nan 0.000 0.427 1199 N N 2.201 121.061 118.700 0.266 0.000 2.446 1199 N HA 0.269 5.015 4.740 0.010 0.000 0.265 1199 N C -1.974 173.741 175.510 0.341 0.000 0.975 1199 N CA -1.995 51.211 53.050 0.260 0.000 0.928 1199 N CB 2.268 40.846 38.487 0.151 0.000 1.160 1199 N HN 0.287 nan 8.380 nan 0.000 0.495 1200 P HA -0.168 nan 4.420 nan 0.000 0.218 1200 P C 0.494 178.042 177.300 0.414 0.000 1.146 1200 P CA 1.339 64.644 63.100 0.342 0.000 0.813 1200 P CB 0.566 32.169 31.700 -0.163 0.000 0.778 1201 E N 0.205 120.560 120.200 0.259 0.000 2.153 1201 E HA -0.082 4.274 4.350 0.010 0.000 0.194 1201 E C 1.433 178.228 176.600 0.325 0.000 0.988 1201 E CA 1.530 58.023 56.400 0.155 0.000 0.811 1201 E CB -0.161 29.495 29.700 -0.073 0.000 0.746 1201 E HN 0.391 nan 8.360 nan 0.000 0.466 1202 S N -0.604 115.263 115.700 0.278 0.000 2.754 1202 S HA 0.271 4.746 4.470 0.010 0.000 0.247 1202 S C 0.051 174.771 174.600 0.201 0.000 1.031 1202 S CA -0.686 57.653 58.200 0.230 0.000 1.014 1202 S CB 0.891 64.171 63.200 0.133 0.000 0.918 1202 S HN -0.154 nan 8.310 nan 0.000 0.519 1203 S N 2.560 118.430 115.700 0.283 0.000 2.475 1203 S HA 0.614 5.090 4.470 0.010 0.000 0.298 1203 S C -0.938 173.685 174.600 0.039 0.000 1.119 1203 S CA -0.686 57.547 58.200 0.055 0.000 1.085 1203 S CB 1.463 64.665 63.200 0.005 0.000 1.028 1203 S HN 0.525 nan 8.310 nan 0.000 0.489 1204 L N 4.391 125.464 121.223 -0.250 0.000 2.342 1204 L HA 0.584 4.930 4.340 0.010 0.000 0.276 1204 L C -1.868 174.721 176.870 -0.468 0.000 0.997 1204 L CA -0.454 54.245 54.840 -0.236 0.000 0.838 1204 L CB 0.301 42.251 42.059 -0.182 0.000 1.224 1204 L HN 0.547 nan 8.230 nan 0.000 0.416 1205 F N 5.360 125.049 119.950 -0.436 0.000 2.394 1205 F HA 0.481 5.014 4.527 0.009 0.000 0.340 1205 F C 0.618 176.271 175.800 -0.245 0.000 1.105 1205 F CA -0.420 57.316 58.000 -0.441 0.000 1.124 1205 F CB 1.380 39.908 39.000 -0.787 0.000 1.145 1205 F HN 0.267 nan 8.300 nan 0.000 0.505 1206 I N 5.082 125.645 120.570 -0.012 0.000 2.382 1206 I HA 0.256 4.432 4.170 0.010 0.000 0.285 1206 I C -0.854 175.291 176.117 0.046 0.000 1.007 1206 I CA -0.602 60.694 61.300 -0.007 0.000 1.142 1206 I CB 1.101 39.035 38.000 -0.111 0.000 1.289 1206 I HN 0.299 nan 8.210 nan 0.000 0.453 1207 I N 5.951 126.596 120.570 0.124 0.000 2.281 1207 I HA 0.297 4.473 4.170 0.010 0.000 0.293 1207 I C 0.738 176.926 176.117 0.119 0.000 1.085 1207 I CA -0.260 61.087 61.300 0.080 0.000 1.257 1207 I CB 0.685 38.728 38.000 0.071 0.000 1.430 1207 I HN 0.511 nan 8.210 nan 0.000 0.489 1208 A N 5.025 127.868 122.820 0.039 0.000 2.260 1208 A HA 0.602 4.928 4.320 0.010 0.000 0.312 1208 A C 0.235 177.861 177.584 0.071 0.000 1.321 1208 A CA -0.288 51.793 52.037 0.074 0.000 0.928 1208 A CB 0.540 19.549 19.000 0.015 0.000 1.158 1208 A HN 0.642 nan 8.150 nan 0.000 0.542 1209 S N 2.177 117.996 115.700 0.198 0.000 2.599 1209 S HA 0.231 4.707 4.470 0.010 0.000 0.269 1209 S C 0.582 175.350 174.600 0.279 0.000 1.135 1209 S CA -0.486 57.809 58.200 0.157 0.000 1.027 1209 S CB 0.895 64.045 63.200 -0.084 0.000 1.129 1209 S HN 0.802 nan 8.310 nan 0.000 0.458 1210 K N 2.292 122.865 120.400 0.288 0.000 2.020 1210 K HA -0.137 4.189 4.320 0.010 0.000 0.212 1210 K C 1.857 178.419 176.600 -0.062 0.000 1.050 1210 K CA 2.591 58.915 56.287 0.062 0.000 0.929 1210 K CB -0.442 32.147 32.500 0.148 0.000 0.714 1210 K HN 0.777 nan 8.250 nan 0.000 0.443 1211 T N -2.881 111.688 114.554 0.025 0.000 2.978 1211 T HA -0.061 4.295 4.350 0.010 0.000 0.262 1211 T C 0.934 175.715 174.700 0.135 0.000 1.063 1211 T CA 0.652 62.768 62.100 0.027 0.000 1.140 1211 T CB -0.242 68.635 68.868 0.015 0.000 0.886 1211 T HN 0.355 nan 8.240 nan 0.000 0.470 1212 F N 1.996 121.909 119.950 -0.062 0.000 3.018 1212 F HA -0.273 4.260 4.527 0.010 0.000 0.287 1212 F C 1.026 176.791 175.800 -0.059 0.000 0.813 1212 F CA 1.048 59.005 58.000 -0.071 0.000 1.209 1212 F CB -1.739 37.213 39.000 -0.080 0.000 1.321 1212 F HN 0.534 nan 8.300 nan 0.000 0.477 1213 T N -4.890 109.649 114.554 -0.024 0.000 3.058 1213 T HA 0.210 4.566 4.350 0.010 0.000 0.278 1213 T C 0.610 175.274 174.700 -0.061 0.000 0.974 1213 T CA 0.571 62.654 62.100 -0.028 0.000 0.893 1213 T CB 0.082 68.962 68.868 0.021 0.000 1.138 1213 T HN 0.129 nan 8.240 nan 0.000 0.529 1214 T N 3.223 117.726 114.554 -0.085 0.000 2.831 1214 T HA 0.055 4.411 4.350 0.010 0.000 0.291 1214 T C 1.259 175.906 174.700 -0.088 0.000 0.981 1214 T CA 0.105 62.162 62.100 -0.073 0.000 1.174 1214 T CB 1.265 70.089 68.868 -0.073 0.000 0.929 1214 T HN 0.403 nan 8.240 nan 0.000 0.532 1215 Q N 2.549 122.318 119.800 -0.053 0.000 2.077 1215 Q HA -0.236 4.110 4.340 0.010 0.000 0.206 1215 Q C 1.814 177.781 176.000 -0.055 0.000 0.989 1215 Q CA 2.020 57.796 55.803 -0.046 0.000 0.853 1215 Q CB 0.047 28.772 28.738 -0.021 0.000 0.907 1215 Q HN 0.740 nan 8.270 nan 0.000 0.418 1216 E N -0.583 119.589 120.200 -0.048 0.000 2.038 1216 E HA -0.164 4.192 4.350 0.010 0.000 0.195 1216 E C 2.045 178.601 176.600 -0.073 0.000 1.000 1216 E CA 2.001 58.376 56.400 -0.043 0.000 0.803 1216 E CB -0.271 29.414 29.700 -0.025 0.000 0.750 1216 E HN 0.336 nan 8.360 nan 0.000 0.448 1217 T N 1.144 115.632 114.554 -0.110 0.000 2.708 1217 T HA -0.113 4.243 4.350 0.010 0.000 0.266 1217 T C 1.749 176.305 174.700 -0.241 0.000 1.037 1217 T CA 0.996 62.994 62.100 -0.169 0.000 1.146 1217 T CB -0.143 68.600 68.868 -0.208 0.000 0.865 1217 T HN 0.030 nan 8.240 nan 0.000 0.435 1218 I N 1.795 122.204 120.570 -0.268 0.000 2.286 1218 I HA -0.114 4.062 4.170 0.010 0.000 0.248 1218 I C 2.592 178.631 176.117 -0.130 0.000 1.115 1218 I CA 1.435 62.561 61.300 -0.290 0.000 1.392 1218 I CB -1.905 35.961 38.000 -0.224 0.000 1.065 1218 I HN 0.267 nan 8.210 nan 0.000 0.418 1219 T N 1.270 115.777 114.554 -0.078 0.000 2.777 1219 T HA -0.106 4.250 4.350 0.010 0.000 0.266 1219 T C 1.791 176.481 174.700 -0.017 0.000 1.040 1219 T CA 1.193 63.278 62.100 -0.025 0.000 1.141 1219 T CB -0.197 68.661 68.868 -0.017 0.000 0.868 1219 T HN 0.269 nan 8.240 nan 0.000 0.444 1220 N N 1.350 120.024 118.700 -0.043 0.000 2.120 1220 N HA -0.013 4.733 4.740 0.010 0.000 0.188 1220 N C 2.175 177.674 175.510 -0.019 0.000 1.024 1220 N CA 1.322 54.351 53.050 -0.035 0.000 0.852 1220 N CB -0.518 37.937 38.487 -0.054 0.000 1.003 1220 N HN 0.410 nan 8.380 nan 0.000 0.424 1221 A N 1.703 124.492 122.820 -0.053 0.000 1.883 1221 A HA -0.162 4.164 4.320 0.010 0.000 0.217 1221 A C 2.153 179.864 177.584 0.212 0.000 1.186 1221 A CA 1.494 53.532 52.037 0.002 0.000 0.624 1221 A CB -0.437 18.351 19.000 -0.353 0.000 0.822 1221 A HN 0.264 nan 8.150 nan 0.000 0.444 1222 K N -1.038 119.485 120.400 0.205 0.000 2.097 1222 K HA -0.098 4.227 4.320 0.010 0.000 0.206 1222 K C 2.059 178.724 176.600 0.109 0.000 1.049 1222 K CA 1.680 58.098 56.287 0.218 0.000 0.933 1222 K CB -0.378 32.218 32.500 0.161 0.000 0.717 1222 K HN 0.480 nan 8.250 nan 0.000 0.442 1223 T N 0.908 115.508 114.554 0.077 0.000 2.821 1223 T HA -0.099 4.257 4.350 0.010 0.000 0.267 1223 T C 1.942 176.699 174.700 0.094 0.000 1.046 1223 T CA 1.266 63.406 62.100 0.066 0.000 1.139 1223 T CB -0.130 68.757 68.868 0.032 0.000 0.871 1223 T HN 0.320 nan 8.240 nan 0.000 0.454 1224 A N 1.477 124.326 122.820 0.048 0.000 1.898 1224 A HA -0.044 4.282 4.320 0.010 0.000 0.216 1224 A C 2.213 179.923 177.584 0.211 0.000 1.181 1224 A CA 1.712 53.730 52.037 -0.032 0.000 0.620 1224 A CB -0.466 18.292 19.000 -0.402 0.000 0.819 1224 A HN 0.443 nan 8.150 nan 0.000 0.442 1225 K N -0.388 120.115 120.400 0.171 0.000 2.057 1225 K HA -0.198 4.127 4.320 0.010 0.000 0.207 1225 K C 1.370 178.036 176.600 0.110 0.000 1.049 1225 K CA 1.724 58.019 56.287 0.013 0.000 0.931 1225 K CB -0.189 32.103 32.500 -0.347 0.000 0.714 1225 K HN 0.403 nan 8.250 nan 0.000 0.440 1226 D N -0.166 120.288 120.400 0.090 0.000 2.097 1226 D HA -0.200 4.446 4.640 0.010 0.000 0.195 1226 D C 1.499 177.873 176.300 0.123 0.000 0.989 1226 D CA 1.082 55.121 54.000 0.065 0.000 0.827 1226 D CB -0.460 40.375 40.800 0.058 0.000 0.966 1226 D HN 0.410 nan 8.370 nan 0.000 0.456 1227 W N 1.162 122.476 121.300 0.023 0.000 2.318 1227 W HA -0.286 4.380 4.660 0.010 0.000 0.313 1227 W C 2.155 178.717 176.519 0.073 0.000 1.221 1227 W CA 1.452 58.821 57.345 0.040 0.000 1.266 1227 W CB -0.734 28.758 29.460 0.054 0.000 1.150 1227 W HN -0.051 nan 8.180 nan 0.000 0.496 1228 F N 0.902 120.899 119.950 0.078 0.000 2.051 1228 F HA -0.186 4.347 4.527 0.009 0.000 0.296 1228 F C 2.107 177.743 175.800 -0.274 0.000 1.122 1228 F CA 2.292 60.195 58.000 -0.161 0.000 1.201 1228 F CB -0.974 38.174 39.000 0.248 0.000 0.978 1228 F HN -0.163 nan 8.300 nan 0.000 0.472 1229 L N -0.163 120.885 121.223 -0.292 0.000 2.353 1229 L HA -0.201 4.145 4.340 0.010 0.000 0.220 1229 L C 2.284 178.917 176.870 -0.395 0.000 1.133 1229 L CA 0.243 54.829 54.840 -0.423 0.000 0.798 1229 L CB -0.648 41.300 42.059 -0.185 0.000 0.922 1229 L HN 0.266 nan 8.230 nan 0.000 0.445 1230 L N -0.954 120.065 121.223 -0.341 0.000 2.079 1230 L HA -0.214 4.131 4.340 0.010 0.000 0.210 1230 L C 2.504 179.177 176.870 -0.328 0.000 1.081 1230 L CA 1.735 56.407 54.840 -0.281 0.000 0.752 1230 L CB -0.352 41.556 42.059 -0.251 0.000 0.896 1230 L HN 0.118 nan 8.230 nan 0.000 0.433 1231 S N -1.673 113.747 115.700 -0.467 0.000 2.398 1231 S HA 0.138 4.613 4.470 0.010 0.000 0.220 1231 S C 1.918 176.255 174.600 -0.437 0.000 1.046 1231 S CA 0.518 58.482 58.200 -0.394 0.000 0.953 1231 S CB -0.187 62.772 63.200 -0.402 0.000 0.856 1231 S HN 0.503 nan 8.310 nan 0.000 0.506 1232 A N 1.002 123.335 122.820 -0.812 0.000 1.827 1232 A HA -0.045 4.281 4.320 0.010 0.000 0.215 1232 A C 1.566 178.804 177.584 -0.576 0.000 1.212 1232 A CA 2.506 53.888 52.037 -1.092 0.000 0.624 1232 A CB -0.383 17.561 19.000 -1.761 0.000 0.853 1232 A HN 0.398 nan 8.150 nan 0.000 0.450 1233 K N -3.162 116.942 120.400 -0.492 0.000 2.770 1233 K HA -0.111 4.215 4.320 0.010 0.000 0.442 1233 K C -0.395 176.079 176.600 -0.210 0.000 0.349 1233 K CA 1.139 57.256 56.287 -0.283 0.000 1.961 1233 K CB -1.150 31.225 32.500 -0.208 0.000 0.522 1233 K HN 0.658 nan 8.250 nan 0.000 0.370 1234 D N 1.249 121.533 120.400 -0.195 0.000 2.177 1234 D HA 0.249 4.895 4.640 0.010 0.000 0.247 1234 D C -1.812 174.433 176.300 -0.092 0.000 1.063 1234 D CA -2.060 51.871 54.000 -0.116 0.000 0.867 1234 D CB 1.460 42.212 40.800 -0.080 0.000 1.168 1234 D HN -0.038 nan 8.370 nan 0.000 0.445 1235 P HA -0.125 nan 4.420 nan 0.000 0.226 1235 P C 1.194 178.486 177.300 -0.014 0.000 1.146 1235 P CA 0.901 63.965 63.100 -0.061 0.000 0.773 1235 P CB -0.002 31.653 31.700 -0.075 0.000 0.772 1236 S N -0.901 114.800 115.700 0.002 0.000 2.453 1236 S HA -0.095 4.381 4.470 0.010 0.000 0.231 1236 S C 1.767 176.431 174.600 0.106 0.000 1.005 1236 S CA 1.498 59.721 58.200 0.038 0.000 0.949 1236 S CB -1.737 61.479 63.200 0.027 0.000 0.774 1236 S HN 0.299 nan 8.310 nan 0.000 0.510 1237 T N -0.519 114.119 114.554 0.141 0.000 3.055 1237 T HA 0.153 4.509 4.350 0.010 0.000 0.265 1237 T C 1.660 176.647 174.700 0.478 0.000 1.111 1237 T CA 0.674 62.954 62.100 0.300 0.000 1.118 1237 T CB -0.643 68.343 68.868 0.197 0.000 0.909 1237 T HN 0.208 nan 8.240 nan 0.000 0.501 1238 V N 2.122 122.253 119.914 0.361 0.000 2.392 1238 V HA -0.147 3.978 4.120 0.010 0.000 0.249 1238 V C 3.164 179.468 176.094 0.349 0.000 1.059 1238 V CA 1.661 64.140 62.300 0.299 0.000 1.051 1238 V CB -1.371 30.457 31.823 0.010 0.000 0.658 1238 V HN 0.686 nan 8.190 nan 0.000 0.455 1239 A N -0.721 122.260 122.820 0.270 0.000 2.125 1239 A HA -0.196 4.130 4.320 0.010 0.000 0.219 1239 A C 2.195 180.006 177.584 0.379 0.000 1.156 1239 A CA 1.615 53.814 52.037 0.270 0.000 0.671 1239 A CB -0.319 18.784 19.000 0.172 0.000 0.794 1239 A HN 0.594 nan 8.150 nan 0.000 0.459 1240 K N -1.760 118.875 120.400 0.393 0.000 2.361 1240 K HA 0.127 4.453 4.320 0.010 0.000 0.194 1240 K C 0.645 177.448 176.600 0.338 0.000 1.032 1240 K CA 0.358 56.870 56.287 0.375 0.000 1.048 1240 K CB 0.189 32.793 32.500 0.173 0.000 0.842 1240 K HN 0.591 nan 8.250 nan 0.000 0.526 1241 H N -1.319 117.996 119.070 0.408 0.000 3.058 1241 H HA 0.192 4.754 4.556 0.010 0.000 0.266 1241 H C -0.714 174.624 175.328 0.016 0.000 1.135 1241 H CA 0.064 56.212 56.048 0.167 0.000 1.174 1241 H CB 0.727 30.338 29.762 -0.252 0.000 1.581 1241 H HN -0.062 nan 8.280 nan 0.000 0.553 1242 F N 1.653 121.750 119.950 0.245 0.000 2.539 1242 F HA 0.363 4.896 4.527 0.009 0.000 0.318 1242 F C 0.123 176.044 175.800 0.201 0.000 1.135 1242 F CA -1.179 56.966 58.000 0.242 0.000 0.915 1242 F CB 1.895 41.052 39.000 0.262 0.000 1.176 1242 F HN -0.241 nan 8.300 nan 0.000 0.440 1243 V N -0.029 120.056 119.914 0.284 0.000 3.074 1243 V HA 1.043 5.169 4.120 0.010 0.000 0.314 1243 V C -0.980 175.238 176.094 0.207 0.000 1.117 1243 V CA -1.211 61.194 62.300 0.175 0.000 1.014 1243 V CB 1.583 33.395 31.823 -0.018 0.000 1.057 1243 V HN 1.013 nan 8.190 nan 0.000 0.438 1244 A N 2.405 125.340 122.820 0.192 0.000 2.449 1244 A HA 0.872 5.198 4.320 0.010 0.000 0.302 1244 A C -0.987 176.725 177.584 0.213 0.000 1.048 1244 A CA -0.736 51.425 52.037 0.206 0.000 0.708 1244 A CB 1.601 20.651 19.000 0.084 0.000 1.274 1244 A HN 1.071 nan 8.150 nan 0.000 0.410 1245 L N 2.268 123.628 121.223 0.227 0.000 2.313 1245 L HA 0.660 5.006 4.340 0.010 0.000 0.273 1245 L C 0.228 177.353 176.870 0.425 0.000 1.028 1245 L CA -0.168 54.834 54.840 0.270 0.000 0.871 1245 L CB 0.666 42.803 42.059 0.131 0.000 1.242 1245 L HN 0.703 nan 8.230 nan 0.000 0.434 1246 S N 0.466 116.317 115.700 0.252 0.000 2.727 1246 S HA 0.521 4.997 4.470 0.010 0.000 0.278 1246 S C 0.405 174.708 174.600 -0.496 0.000 1.186 1246 S CA 0.336 58.512 58.200 -0.041 0.000 0.836 1246 S CB 1.863 65.055 63.200 -0.013 0.000 1.186 1246 S HN 0.635 nan 8.310 nan 0.000 0.499 1247 T N -0.959 113.249 114.554 -0.576 0.000 3.004 1247 T HA 0.338 4.694 4.350 0.010 0.000 0.266 1247 T C 0.115 174.620 174.700 -0.325 0.000 0.986 1247 T CA -0.116 61.645 62.100 -0.566 0.000 0.902 1247 T CB -0.288 68.180 68.868 -0.667 0.000 1.118 1247 T HN 0.358 nan 8.240 nan 0.000 0.522 1248 N N 2.115 120.663 118.700 -0.254 0.000 2.767 1248 N HA 0.219 4.965 4.740 0.010 0.000 0.238 1248 N C 0.742 176.115 175.510 -0.228 0.000 1.083 1248 N CA 0.073 53.018 53.050 -0.176 0.000 0.964 1248 N CB 0.985 39.430 38.487 -0.070 0.000 1.252 1248 N HN 0.224 nan 8.380 nan 0.000 0.512 1249 T N 1.108 115.547 114.554 -0.193 0.000 2.720 1249 T HA -0.147 4.209 4.350 0.010 0.000 0.268 1249 T C 1.868 176.478 174.700 -0.149 0.000 1.037 1249 T CA 1.701 63.692 62.100 -0.182 0.000 1.144 1249 T CB -0.032 68.758 68.868 -0.131 0.000 0.864 1249 T HN 0.587 nan 8.240 nan 0.000 0.444 1250 A N 1.962 124.722 122.820 -0.099 0.000 1.883 1250 A HA -0.165 4.160 4.320 0.010 0.000 0.217 1250 A C 2.336 179.892 177.584 -0.046 0.000 1.186 1250 A CA 1.411 53.413 52.037 -0.058 0.000 0.624 1250 A CB -0.351 18.631 19.000 -0.030 0.000 0.822 1250 A HN 0.223 nan 8.150 nan 0.000 0.444 1251 K N -0.351 120.020 120.400 -0.048 0.000 2.057 1251 K HA -0.025 4.301 4.320 0.010 0.000 0.206 1251 K C 2.037 178.602 176.600 -0.058 0.000 1.050 1251 K CA 1.223 57.532 56.287 0.036 0.000 0.935 1251 K CB -0.950 31.649 32.500 0.165 0.000 0.715 1251 K HN 0.345 nan 8.250 nan 0.000 0.439 1252 V N 2.138 121.790 119.914 -0.437 0.000 2.332 1252 V HA -0.272 3.854 4.120 0.010 0.000 0.248 1252 V C 2.264 178.278 176.094 -0.134 0.000 1.055 1252 V CA 1.807 63.734 62.300 -0.622 0.000 1.038 1252 V CB -0.386 31.040 31.823 -0.662 0.000 0.651 1252 V HN 0.354 nan 8.190 nan 0.000 0.450 1253 K N -0.172 120.170 120.400 -0.098 0.000 2.057 1253 K HA -0.225 4.101 4.320 0.010 0.000 0.206 1253 K C 2.209 178.821 176.600 0.020 0.000 1.050 1253 K CA 1.621 57.890 56.287 -0.030 0.000 0.935 1253 K CB -0.228 32.247 32.500 -0.041 0.000 0.715 1253 K HN 0.552 nan 8.250 nan 0.000 0.439 1254 E N 0.532 120.758 120.200 0.043 0.000 2.160 1254 E HA -0.221 4.134 4.350 0.010 0.000 0.195 1254 E C 1.741 178.415 176.600 0.123 0.000 0.991 1254 E CA 0.946 57.390 56.400 0.073 0.000 0.810 1254 E CB -0.088 29.666 29.700 0.091 0.000 0.742 1254 E HN 0.250 nan 8.360 nan 0.000 0.466 1255 F N -0.391 119.590 119.950 0.051 0.000 2.259 1255 F HA 0.076 4.609 4.527 0.009 0.000 0.298 1255 F C 1.507 177.308 175.800 0.002 0.000 1.088 1255 F CA 1.858 59.906 58.000 0.080 0.000 1.358 1255 F CB 0.397 39.551 39.000 0.257 0.000 1.040 1255 F HN 0.159 nan 8.300 nan 0.000 0.505 1256 G N 0.232 109.000 108.800 -0.053 0.000 2.273 1256 G HA2 -0.119 3.847 3.960 0.010 0.000 0.162 1256 G HA3 -0.119 3.847 3.960 0.010 0.000 0.162 1256 G C 0.079 174.962 174.900 -0.028 0.000 1.006 1256 G CA -0.066 44.938 45.100 -0.159 0.000 0.704 1256 G HN 0.251 nan 8.290 nan 0.000 0.487 1257 I N 2.480 123.114 120.570 0.106 0.000 2.331 1257 I HA 0.385 4.561 4.170 0.010 0.000 0.292 1257 I C 0.272 176.417 176.117 0.045 0.000 0.998 1257 I CA -0.693 60.685 61.300 0.131 0.000 1.267 1257 I CB 1.287 39.415 38.000 0.213 0.000 1.386 1257 I HN 0.375 nan 8.210 nan 0.000 0.476 1258 D N 8.097 128.521 120.400 0.040 0.000 2.283 1258 D HA 0.377 5.022 4.640 0.010 0.000 0.248 1258 D C -2.515 173.769 176.300 -0.028 0.000 1.072 1258 D CA -1.531 52.471 54.000 0.003 0.000 0.929 1258 D CB 0.932 41.742 40.800 0.017 0.000 1.182 1258 D HN 0.110 nan 8.370 nan 0.000 0.433 1259 P HA -0.049 nan 4.420 nan 0.000 0.272 1259 P C 0.247 177.484 177.300 -0.104 0.000 1.248 1259 P CA 0.267 63.309 63.100 -0.097 0.000 0.799 1259 P CB 0.330 31.978 31.700 -0.087 0.000 0.997 1260 Q N -0.600 119.097 119.800 -0.171 0.000 2.301 1260 Q HA -0.275 4.071 4.340 0.010 0.000 0.163 1260 Q C -0.476 175.346 176.000 -0.297 0.000 0.576 1260 Q CA 1.975 57.657 55.803 -0.202 0.000 1.368 1260 Q CB -2.332 26.355 28.738 -0.086 0.000 1.325 1260 Q HN 0.467 nan 8.270 nan 0.000 0.946 1261 N N 0.015 118.571 118.700 -0.241 0.000 2.184 1261 N HA 0.369 5.115 4.740 0.010 0.000 0.206 1261 N C -0.217 175.163 175.510 -0.217 0.000 1.151 1261 N CA 0.349 53.280 53.050 -0.199 0.000 0.878 1261 N CB 0.655 39.156 38.487 0.024 0.000 1.014 1261 N HN 0.407 nan 8.380 nan 0.000 0.512 1262 M N 0.999 120.405 119.600 -0.323 0.000 2.114 1262 M HA 0.360 4.846 4.480 0.010 0.000 0.332 1262 M C -1.452 174.641 176.300 -0.346 0.000 1.014 1262 M CA -0.646 54.532 55.300 -0.204 0.000 0.956 1262 M CB 0.446 32.933 32.600 -0.188 0.000 1.551 1262 M HN -0.170 nan 8.290 nan 0.000 0.427 1263 F N 4.067 123.946 119.950 -0.118 0.000 2.371 1263 F HA 0.314 4.847 4.527 0.010 0.000 0.363 1263 F C 0.621 176.386 175.800 -0.058 0.000 1.122 1263 F CA -0.687 57.265 58.000 -0.080 0.000 1.129 1263 F CB 0.562 39.518 39.000 -0.074 0.000 1.173 1263 F HN 0.511 nan 8.300 nan 0.000 0.489 1264 E N 3.849 124.027 120.200 -0.037 0.000 2.280 1264 E HA 0.714 5.070 4.350 0.010 0.000 0.264 1264 E C -1.006 175.310 176.600 -0.475 0.000 1.064 1264 E CA -0.602 55.648 56.400 -0.251 0.000 0.900 1264 E CB 1.678 31.123 29.700 -0.426 0.000 1.123 1264 E HN 0.492 nan 8.360 nan 0.000 0.418 1265 F N -1.932 117.430 119.950 -0.980 0.000 2.922 1265 F HA 0.709 5.241 4.527 0.009 0.000 0.345 1265 F C -0.647 174.226 175.800 -1.545 0.000 1.209 1265 F CA -1.351 55.816 58.000 -1.388 0.000 1.018 1265 F CB 1.152 39.866 39.000 -0.477 0.000 1.472 1265 F HN 0.351 nan 8.300 nan 0.000 0.521 1266 W N 0.649 121.675 121.300 -0.457 0.000 2.992 1266 W HA 0.198 4.864 4.660 0.010 0.000 0.342 1266 W C 0.031 176.174 176.519 -0.627 0.000 1.176 1266 W CA -0.352 56.544 57.345 -0.747 0.000 1.118 1266 W CB 1.254 29.924 29.460 -1.316 0.000 1.457 1266 W HN 0.700 nan 8.180 nan 0.000 0.573 1267 D N -0.861 119.390 120.400 -0.248 0.000 2.265 1267 D HA -0.220 4.425 4.640 0.010 0.000 0.208 1267 D C 1.448 177.780 176.300 0.053 0.000 0.977 1267 D CA 1.349 55.302 54.000 -0.077 0.000 0.871 1267 D CB -0.525 40.282 40.800 0.011 0.000 0.925 1267 D HN 0.475 nan 8.370 nan 0.000 0.485 1268 W N 0.408 121.830 121.300 0.203 0.000 3.292 1268 W HA 0.352 5.018 4.660 0.010 0.000 0.263 1268 W C -0.603 176.027 176.519 0.186 0.000 1.318 1268 W CA -0.616 56.809 57.345 0.134 0.000 1.663 1268 W CB -0.480 29.012 29.460 0.053 0.000 1.114 1268 W HN -0.220 nan 8.180 nan 0.000 0.706 1269 V N 2.511 122.596 119.914 0.284 0.000 2.277 1269 V HA 0.418 4.544 4.120 0.010 0.000 0.269 1269 V C 0.942 177.254 176.094 0.363 0.000 1.036 1269 V CA -0.685 61.848 62.300 0.389 0.000 0.821 1269 V CB 0.343 32.395 31.823 0.382 0.000 1.052 1269 V HN 0.134 nan 8.190 nan 0.000 0.462 1270 G N 3.208 112.247 108.800 0.398 0.000 2.398 1270 G HA2 0.372 4.338 3.960 0.010 0.000 0.246 1270 G HA3 0.372 4.338 3.960 0.010 0.000 0.246 1270 G C 1.156 176.258 174.900 0.337 0.000 1.289 1270 G CA 0.251 45.586 45.100 0.393 0.000 0.869 1270 G HN 0.858 nan 8.290 nan 0.000 0.543 1271 G N 2.562 111.495 108.800 0.223 0.000 2.574 1271 G HA2 -0.329 3.637 3.960 0.010 0.000 0.220 1271 G HA3 -0.329 3.637 3.960 0.010 0.000 0.220 1271 G C 1.693 176.614 174.900 0.034 0.000 1.173 1271 G CA 1.006 46.178 45.100 0.122 0.000 0.772 1271 G HN 0.823 nan 8.290 nan 0.000 0.585 1272 R N -0.876 119.606 120.500 -0.030 0.000 2.339 1272 R HA 0.116 4.461 4.340 0.010 0.000 0.199 1272 R C 0.332 176.368 176.300 -0.439 0.000 1.018 1272 R CA 0.717 56.637 56.100 -0.301 0.000 1.036 1272 R CB -0.319 29.715 30.300 -0.444 0.000 0.899 1272 R HN 0.485 nan 8.270 nan 0.000 0.473 1273 Y N 0.136 120.460 120.300 0.040 0.000 2.721 1273 Y HA 0.187 4.743 4.550 0.010 0.000 0.251 1273 Y C 0.981 177.021 175.900 0.234 0.000 1.136 1273 Y CA -0.424 57.734 58.100 0.097 0.000 1.142 1273 Y CB 1.241 39.636 38.460 -0.108 0.000 1.212 1273 Y HN 0.195 nan 8.280 nan 0.000 0.565 1274 S N -0.755 115.068 115.700 0.204 0.000 2.540 1274 S HA 0.010 4.486 4.470 0.010 0.000 0.218 1274 S C 1.534 176.110 174.600 -0.040 0.000 0.977 1274 S CA -0.065 58.194 58.200 0.098 0.000 0.918 1274 S CB -0.522 62.622 63.200 -0.093 0.000 0.806 1274 S HN 0.426 nan 8.310 nan 0.000 0.496 1275 L N -1.711 119.418 121.223 -0.157 0.000 2.353 1275 L HA 0.326 4.672 4.340 0.010 0.000 0.220 1275 L C 1.648 178.381 176.870 -0.227 0.000 1.133 1275 L CA 0.838 55.490 54.840 -0.314 0.000 0.798 1275 L CB -1.492 40.250 42.059 -0.528 0.000 0.922 1275 L HN 0.366 nan 8.230 nan 0.000 0.445 1276 W N 0.666 122.031 121.300 0.107 0.000 3.047 1276 W HA 0.276 4.942 4.660 0.010 0.000 0.250 1276 W C 1.759 178.417 176.519 0.233 0.000 1.314 1276 W CA 0.319 57.744 57.345 0.133 0.000 1.540 1276 W CB -0.615 28.902 29.460 0.096 0.000 1.127 1276 W HN 0.361 nan 8.180 nan 0.000 0.679 1277 S N 0.201 116.097 115.700 0.326 0.000 2.561 1277 S HA 0.663 5.139 4.470 0.010 0.000 0.282 1277 S C 1.628 176.301 174.600 0.122 0.000 1.123 1277 S CA -0.054 58.300 58.200 0.256 0.000 1.011 1277 S CB 0.422 63.688 63.200 0.109 0.000 1.244 1277 S HN -0.005 nan 8.310 nan 0.000 0.503 1278 A N 0.221 123.054 122.820 0.022 0.000 2.076 1278 A HA 0.015 4.341 4.320 0.010 0.000 0.220 1278 A C 1.997 179.469 177.584 -0.186 0.000 1.160 1278 A CA 1.132 53.158 52.037 -0.019 0.000 0.653 1278 A CB -1.123 17.941 19.000 0.106 0.000 0.801 1278 A HN 0.705 nan 8.150 nan 0.000 0.455 1279 I N -0.135 120.233 120.570 -0.336 0.000 2.567 1279 I HA -0.174 4.001 4.170 0.010 0.000 0.257 1279 I C 2.210 178.210 176.117 -0.196 0.000 1.184 1279 I CA 1.403 62.515 61.300 -0.313 0.000 1.451 1279 I CB -1.492 36.259 38.000 -0.414 0.000 1.089 1279 I HN 0.381 nan 8.210 nan 0.000 0.441 1280 G N 0.163 108.866 108.800 -0.161 0.000 3.181 1280 G HA2 -0.000 3.966 3.960 0.010 0.000 0.219 1280 G HA3 -0.000 3.966 3.960 0.010 0.000 0.219 1280 G C 1.526 176.180 174.900 -0.409 0.000 1.182 1280 G CA -0.212 44.776 45.100 -0.186 0.000 0.791 1280 G HN 0.235 nan 8.290 nan 0.000 0.537 1281 L N 2.110 123.118 121.223 -0.359 0.000 2.043 1281 L HA -0.169 4.177 4.340 0.010 0.000 0.212 1281 L C 3.042 179.734 176.870 -0.296 0.000 1.075 1281 L CA 2.639 57.247 54.840 -0.387 0.000 0.752 1281 L CB -0.607 41.194 42.059 -0.430 0.000 0.891 1281 L HN 0.317 nan 8.230 nan 0.000 0.432 1282 S N -1.139 114.432 115.700 -0.215 0.000 2.399 1282 S HA -0.185 4.291 4.470 0.010 0.000 0.231 1282 S C 2.025 176.575 174.600 -0.084 0.000 1.022 1282 S CA 1.533 59.638 58.200 -0.158 0.000 0.983 1282 S CB -0.977 62.137 63.200 -0.144 0.000 0.803 1282 S HN 0.544 nan 8.310 nan 0.000 0.480 1283 I N 2.147 122.652 120.570 -0.108 0.000 2.233 1283 I HA -0.073 4.103 4.170 0.010 0.000 0.243 1283 I C 3.098 179.155 176.117 -0.101 0.000 1.093 1283 I CA 1.032 62.302 61.300 -0.050 0.000 1.380 1283 I CB -0.724 37.255 38.000 -0.035 0.000 1.067 1283 I HN 0.405 nan 8.210 nan 0.000 0.413 1284 A N 1.096 123.710 122.820 -0.343 0.000 1.877 1284 A HA -0.166 4.159 4.320 0.010 0.000 0.216 1284 A C 2.316 179.852 177.584 -0.079 0.000 1.186 1284 A CA 1.464 53.327 52.037 -0.291 0.000 0.620 1284 A CB -0.920 17.807 19.000 -0.455 0.000 0.822 1284 A HN 0.372 nan 8.150 nan 0.000 0.443 1285 L N -1.694 119.472 121.223 -0.094 0.000 2.083 1285 L HA -0.213 4.133 4.340 0.010 0.000 0.209 1285 L C 2.661 179.541 176.870 0.016 0.000 1.083 1285 L CA 1.700 56.501 54.840 -0.064 0.000 0.752 1285 L CB -0.551 41.437 42.059 -0.118 0.000 0.899 1285 L HN 0.629 nan 8.230 nan 0.000 0.433 1286 H N -0.616 118.404 119.070 -0.083 0.000 2.372 1286 H HA -0.066 4.496 4.556 0.010 0.000 0.301 1286 H C 1.778 177.093 175.328 -0.021 0.000 1.065 1286 H CA 1.769 57.786 56.048 -0.052 0.000 1.364 1286 H CB 0.589 30.330 29.762 -0.036 0.000 1.406 1286 H HN 0.270 nan 8.280 nan 0.000 0.521 1287 V N -2.307 117.591 119.914 -0.026 0.000 3.427 1287 V HA 0.468 4.593 4.120 0.010 0.000 0.305 1287 V C 0.632 176.731 176.094 0.008 0.000 1.412 1287 V CA 0.311 62.577 62.300 -0.057 0.000 1.086 1287 V CB 0.180 31.987 31.823 -0.026 0.000 0.964 1287 V HN 0.596 nan 8.190 nan 0.000 0.439 1288 G N -0.049 108.766 108.800 0.026 0.000 2.712 1288 G HA2 -0.229 3.736 3.960 0.010 0.000 0.686 1288 G HA3 -0.229 3.736 3.960 0.010 0.000 0.686 1288 G C -0.375 174.603 174.900 0.131 0.000 1.321 1288 G CA 0.022 45.169 45.100 0.079 0.000 0.813 1288 G HN 0.286 nan 8.290 nan 0.000 0.599 1289 F N 0.668 120.657 119.950 0.065 0.000 2.234 1289 F HA 0.032 4.565 4.527 0.010 0.000 0.299 1289 F C 2.416 178.319 175.800 0.171 0.000 1.087 1289 F CA 2.188 60.271 58.000 0.139 0.000 1.340 1289 F CB 0.078 39.146 39.000 0.114 0.000 1.031 1289 F HN 0.536 nan 8.300 nan 0.000 0.500 1290 D N -0.168 120.369 120.400 0.229 0.000 2.123 1290 D HA -0.201 4.445 4.640 0.010 0.000 0.196 1290 D C 1.854 178.188 176.300 0.057 0.000 0.992 1290 D CA 1.558 55.644 54.000 0.143 0.000 0.833 1290 D CB -0.596 40.274 40.800 0.116 0.000 0.954 1290 D HN 0.386 nan 8.370 nan 0.000 0.455 1291 N N -0.878 117.848 118.700 0.042 0.000 2.188 1291 N HA -0.115 4.631 4.740 0.010 0.000 0.184 1291 N C 1.529 177.017 175.510 -0.037 0.000 1.018 1291 N CA 0.214 53.252 53.050 -0.021 0.000 0.858 1291 N CB -0.088 38.383 38.487 -0.026 0.000 0.989 1291 N HN 0.036 nan 8.380 nan 0.000 0.426 1292 F N 2.325 122.148 119.950 -0.213 0.000 2.134 1292 F HA -0.072 4.460 4.527 0.009 0.000 0.299 1292 F C 1.988 177.643 175.800 -0.241 0.000 1.097 1292 F CA 1.353 59.175 58.000 -0.297 0.000 1.264 1292 F CB -0.100 38.573 39.000 -0.545 0.000 1.001 1292 F HN 0.013 nan 8.300 nan 0.000 0.479 1293 E N -0.611 119.436 120.200 -0.254 0.000 2.204 1293 E HA -0.202 4.154 4.350 0.010 0.000 0.194 1293 E C 2.112 178.644 176.600 -0.113 0.000 0.989 1293 E CA 0.750 57.033 56.400 -0.195 0.000 0.824 1293 E CB -0.144 29.558 29.700 0.003 0.000 0.756 1293 E HN 0.452 nan 8.360 nan 0.000 0.477 1294 Q N 0.435 120.189 119.800 -0.076 0.000 2.119 1294 Q HA -0.121 4.225 4.340 0.010 0.000 0.201 1294 Q C 2.322 178.306 176.000 -0.027 0.000 0.972 1294 Q CA 0.714 56.516 55.803 -0.002 0.000 0.847 1294 Q CB -0.281 28.440 28.738 -0.027 0.000 0.903 1294 Q HN 0.260 nan 8.270 nan 0.000 0.433 1295 L N 0.428 121.573 121.223 -0.129 0.000 2.017 1295 L HA -0.151 4.195 4.340 0.010 0.000 0.208 1295 L C 2.137 179.011 176.870 0.006 0.000 1.073 1295 L CA 1.492 56.271 54.840 -0.102 0.000 0.745 1295 L CB -0.571 41.377 42.059 -0.186 0.000 0.894 1295 L HN 0.140 nan 8.230 nan 0.000 0.432 1296 L N -1.275 119.867 121.223 -0.134 0.000 2.046 1296 L HA -0.185 4.161 4.340 0.010 0.000 0.208 1296 L C 2.482 179.307 176.870 -0.076 0.000 1.077 1296 L CA 1.317 56.107 54.840 -0.084 0.000 0.747 1296 L CB -0.709 41.225 42.059 -0.208 0.000 0.896 1296 L HN 0.237 nan 8.230 nan 0.000 0.432 1297 S N 0.120 115.805 115.700 -0.024 0.000 2.382 1297 S HA -0.126 4.350 4.470 0.010 0.000 0.228 1297 S C 2.053 176.613 174.600 -0.067 0.000 1.027 1297 S CA 1.204 59.470 58.200 0.111 0.000 0.991 1297 S CB -0.597 62.759 63.200 0.260 0.000 0.823 1297 S HN 0.612 nan 8.310 nan 0.000 0.469 1298 G N 1.387 109.855 108.800 -0.554 0.000 2.418 1298 G HA2 -0.082 3.884 3.960 0.010 0.000 0.217 1298 G HA3 -0.082 3.884 3.960 0.010 0.000 0.217 1298 G C 1.554 176.167 174.900 -0.477 0.000 1.158 1298 G CA 0.921 45.216 45.100 -1.342 0.000 0.771 1298 G HN 0.580 nan 8.290 nan 0.000 0.545 1299 A N 0.276 122.932 122.820 -0.274 0.000 1.898 1299 A HA -0.065 4.261 4.320 0.010 0.000 0.216 1299 A C 2.113 179.633 177.584 -0.107 0.000 1.181 1299 A CA 2.036 53.905 52.037 -0.280 0.000 0.620 1299 A CB -0.764 17.709 19.000 -0.878 0.000 0.819 1299 A HN 0.505 nan 8.150 nan 0.000 0.442 1300 H N -2.126 116.859 119.070 -0.142 0.000 2.352 1300 H HA -0.209 4.353 4.556 0.010 0.000 0.299 1300 H C 1.736 177.107 175.328 0.072 0.000 1.097 1300 H CA 2.101 58.134 56.048 -0.025 0.000 1.311 1300 H CB -0.460 29.304 29.762 0.004 0.000 1.377 1300 H HN 0.680 nan 8.280 nan 0.000 0.504 1301 W N 0.198 121.455 121.300 -0.071 0.000 2.335 1301 W HA -0.267 4.398 4.660 0.009 0.000 0.311 1301 W C 2.373 178.882 176.519 -0.017 0.000 1.213 1301 W CA 2.026 59.357 57.345 -0.023 0.000 1.274 1301 W CB -0.371 29.162 29.460 0.122 0.000 1.148 1301 W HN 0.299 nan 8.180 nan 0.000 0.498 1302 M N 0.989 120.763 119.600 0.289 0.000 2.159 1302 M HA -0.178 4.307 4.480 0.010 0.000 0.263 1302 M C 1.419 177.819 176.300 0.167 0.000 1.063 1302 M CA 2.064 57.514 55.300 0.250 0.000 1.110 1302 M CB -0.926 31.830 32.600 0.259 0.000 1.374 1302 M HN -0.112 nan 8.290 nan 0.000 0.411 1303 D N -0.232 120.258 120.400 0.149 0.000 2.123 1303 D HA -0.198 4.448 4.640 0.010 0.000 0.196 1303 D C 2.016 178.306 176.300 -0.017 0.000 0.992 1303 D CA 1.379 55.538 54.000 0.264 0.000 0.833 1303 D CB -0.323 40.644 40.800 0.278 0.000 0.954 1303 D HN 0.561 nan 8.370 nan 0.000 0.455 1304 Q N -0.650 118.986 119.800 -0.273 0.000 2.079 1304 Q HA -0.158 4.188 4.340 0.010 0.000 0.200 1304 Q C 2.198 177.950 176.000 -0.413 0.000 0.974 1304 Q CA 0.905 56.458 55.803 -0.417 0.000 0.840 1304 Q CB -0.108 28.309 28.738 -0.535 0.000 0.898 1304 Q HN 0.504 nan 8.270 nan 0.000 0.430 1305 H N -0.135 118.606 119.070 -0.548 0.000 2.353 1305 H HA -0.163 4.398 4.556 0.010 0.000 0.300 1305 H C 1.873 177.090 175.328 -0.185 0.000 1.090 1305 H CA 1.396 57.170 56.048 -0.457 0.000 1.327 1305 H CB -0.133 29.300 29.762 -0.548 0.000 1.383 1305 H HN 0.243 nan 8.280 nan 0.000 0.508 1306 F N 1.984 121.801 119.950 -0.222 0.000 2.186 1306 F HA -0.065 4.468 4.527 0.010 0.000 0.299 1306 F C 2.858 178.421 175.800 -0.396 0.000 1.090 1306 F CA 1.532 59.382 58.000 -0.251 0.000 1.307 1306 F CB -0.509 38.348 39.000 -0.238 0.000 1.019 1306 F HN 0.044 nan 8.300 nan 0.000 0.489 1307 R N -0.513 119.593 120.500 -0.656 0.000 2.119 1307 R HA -0.066 4.279 4.340 0.010 0.000 0.222 1307 R C 1.882 177.824 176.300 -0.596 0.000 1.088 1307 R CA 1.699 57.280 56.100 -0.864 0.000 0.984 1307 R CB -0.305 29.389 30.300 -1.010 0.000 0.884 1307 R HN 0.445 nan 8.270 nan 0.000 0.447 1308 T N -3.118 111.151 114.554 -0.476 0.000 3.040 1308 T HA 0.152 4.507 4.350 0.010 0.000 0.250 1308 T C 0.447 174.949 174.700 -0.330 0.000 1.058 1308 T CA -0.187 61.693 62.100 -0.367 0.000 0.988 1308 T CB 0.451 69.131 68.868 -0.313 0.000 0.993 1308 T HN -0.096 nan 8.240 nan 0.000 0.519 1309 T N 4.411 118.727 114.554 -0.396 0.000 2.845 1309 T HA 0.470 4.826 4.350 0.010 0.000 0.288 1309 T C -2.680 171.868 174.700 -0.252 0.000 0.980 1309 T CA -1.132 60.760 62.100 -0.347 0.000 1.071 1309 T CB 1.265 69.802 68.868 -0.552 0.000 0.941 1309 T HN 0.087 nan 8.240 nan 0.000 0.487 1310 P HA 0.124 nan 4.420 nan 0.000 0.265 1310 P C 1.115 178.351 177.300 -0.106 0.000 1.193 1310 P CA -0.130 62.893 63.100 -0.129 0.000 0.765 1310 P CB 0.413 32.056 31.700 -0.094 0.000 0.823 1311 L N 2.631 123.799 121.223 -0.092 0.000 2.034 1311 L HA -0.285 4.061 4.340 0.010 0.000 0.217 1311 L C 2.254 179.101 176.870 -0.038 0.000 1.077 1311 L CA 1.813 56.618 54.840 -0.058 0.000 0.769 1311 L CB -1.001 41.025 42.059 -0.056 0.000 0.890 1311 L HN 0.540 nan 8.230 nan 0.000 0.435 1312 E N 0.136 120.314 120.200 -0.037 0.000 2.396 1312 E HA -0.211 4.145 4.350 0.010 0.000 0.200 1312 E C 1.013 177.617 176.600 0.007 0.000 1.023 1312 E CA 1.119 57.508 56.400 -0.017 0.000 0.857 1312 E CB -0.189 29.502 29.700 -0.017 0.000 0.775 1312 E HN 0.469 nan 8.360 nan 0.000 0.525 1313 K N 0.649 121.051 120.400 0.004 0.000 2.501 1313 K HA 0.144 4.469 4.320 0.010 0.000 0.204 1313 K C 0.022 176.671 176.600 0.082 0.000 1.067 1313 K CA -0.294 56.025 56.287 0.053 0.000 1.060 1313 K CB 0.380 32.902 32.500 0.037 0.000 0.873 1313 K HN -0.018 nan 8.250 nan 0.000 0.540 1314 N N 1.683 120.404 118.700 0.035 0.000 2.415 1314 N HA 0.128 4.874 4.740 0.010 0.000 0.246 1314 N C 0.858 176.494 175.510 0.210 0.000 1.078 1314 N CA 0.176 53.269 53.050 0.073 0.000 0.942 1314 N CB 1.373 39.874 38.487 0.025 0.000 1.140 1314 N HN 0.078 nan 8.380 nan 0.000 0.501 1315 A N 7.254 130.337 122.820 0.438 0.000 1.870 1315 A HA -0.137 4.189 4.320 0.010 0.000 0.219 1315 A C -0.491 177.150 177.584 0.096 0.000 1.224 1315 A CA 1.559 53.724 52.037 0.214 0.000 0.650 1315 A CB -1.440 17.641 19.000 0.135 0.000 0.836 1315 A HN 0.647 nan 8.150 nan 0.000 0.454 1316 P HA -0.073 nan 4.420 nan 0.000 0.220 1316 P C 1.537 178.850 177.300 0.022 0.000 1.148 1316 P CA 1.507 64.609 63.100 0.004 0.000 0.803 1316 P CB -0.214 31.425 31.700 -0.101 0.000 0.782 1317 V N 0.332 120.300 119.914 0.091 0.000 2.323 1317 V HA -0.190 3.936 4.120 0.010 0.000 0.244 1317 V C 2.835 178.919 176.094 -0.017 0.000 1.041 1317 V CA 1.425 63.769 62.300 0.073 0.000 1.025 1317 V CB -1.205 30.682 31.823 0.107 0.000 0.656 1317 V HN -0.006 nan 8.190 nan 0.000 0.451 1318 L N -0.646 120.543 121.223 -0.057 0.000 2.017 1318 L HA -0.195 4.151 4.340 0.010 0.000 0.208 1318 L C 2.459 179.243 176.870 -0.144 0.000 1.073 1318 L CA 1.547 56.280 54.840 -0.179 0.000 0.745 1318 L CB -0.605 41.248 42.059 -0.343 0.000 0.894 1318 L HN 0.286 nan 8.230 nan 0.000 0.432 1319 L N -0.420 120.759 121.223 -0.074 0.000 2.012 1319 L HA -0.243 4.102 4.340 0.010 0.000 0.210 1319 L C 2.913 179.804 176.870 0.035 0.000 1.073 1319 L CA 1.298 56.140 54.840 0.003 0.000 0.748 1319 L CB -0.759 41.306 42.059 0.012 0.000 0.891 1319 L HN 0.276 nan 8.230 nan 0.000 0.431 1320 A N -0.248 122.575 122.820 0.004 0.000 1.865 1320 A HA -0.238 4.087 4.320 0.010 0.000 0.217 1320 A C 2.242 179.800 177.584 -0.044 0.000 1.191 1320 A CA 1.820 53.844 52.037 -0.021 0.000 0.623 1320 A CB -0.430 18.540 19.000 -0.050 0.000 0.826 1320 A HN 0.298 nan 8.150 nan 0.000 0.444 1321 M N -0.415 119.150 119.600 -0.058 0.000 2.213 1321 M HA 0.002 4.488 4.480 0.010 0.000 0.263 1321 M C 2.081 178.378 176.300 -0.005 0.000 1.062 1321 M CA 1.007 56.273 55.300 -0.057 0.000 1.105 1321 M CB -1.520 31.027 32.600 -0.089 0.000 1.385 1321 M HN 0.370 nan 8.290 nan 0.000 0.417 1322 L N -0.643 120.581 121.223 0.001 0.000 2.083 1322 L HA -0.114 4.232 4.340 0.010 0.000 0.209 1322 L C 2.592 179.558 176.870 0.161 0.000 1.083 1322 L CA 1.220 56.087 54.840 0.045 0.000 0.752 1322 L CB -1.176 40.950 42.059 0.112 0.000 0.899 1322 L HN 0.379 nan 8.230 nan 0.000 0.433 1323 G N 0.162 109.086 108.800 0.207 0.000 2.402 1323 G HA2 -0.200 3.766 3.960 0.010 0.000 0.216 1323 G HA3 -0.200 3.766 3.960 0.010 0.000 0.216 1323 G C 1.510 176.581 174.900 0.285 0.000 1.162 1323 G CA 0.318 45.595 45.100 0.294 0.000 0.777 1323 G HN 0.136 nan 8.290 nan 0.000 0.539 1324 I N 0.027 120.701 120.570 0.174 0.000 2.208 1324 I HA -0.148 4.027 4.170 0.010 0.000 0.245 1324 I C 2.386 178.685 176.117 0.303 0.000 1.097 1324 I CA 0.697 62.121 61.300 0.207 0.000 1.363 1324 I CB -1.178 36.848 38.000 0.044 0.000 1.051 1324 I HN 0.480 nan 8.210 nan 0.000 0.413 1325 W N 1.325 122.621 121.300 -0.007 0.000 2.317 1325 W HA -0.323 4.343 4.660 0.010 0.000 0.318 1325 W C 2.529 179.075 176.519 0.045 0.000 1.227 1325 W CA 1.481 58.781 57.345 -0.074 0.000 1.269 1325 W CB -0.436 28.858 29.460 -0.278 0.000 1.155 1325 W HN 0.093 nan 8.180 nan 0.000 0.484 1326 Y N 0.326 120.791 120.300 0.275 0.000 2.314 1326 Y HA -0.125 4.430 4.550 0.010 0.000 0.293 1326 Y C 2.451 178.447 175.900 0.161 0.000 1.129 1326 Y CA 1.393 59.580 58.100 0.146 0.000 1.201 1326 Y CB -1.052 37.474 38.460 0.111 0.000 0.999 1326 Y HN -0.079 nan 8.280 nan 0.000 0.541 1327 I N -0.153 120.626 120.570 0.347 0.000 2.206 1327 I HA -0.256 3.920 4.170 0.010 0.000 0.239 1327 I C 1.279 177.540 176.117 0.241 0.000 1.078 1327 I CA 1.596 63.078 61.300 0.303 0.000 1.367 1327 I CB -0.340 37.907 38.000 0.411 0.000 1.078 1327 I HN 0.147 nan 8.210 nan 0.000 0.413 1328 N N -0.874 117.995 118.700 0.281 0.000 2.422 1328 N HA -0.004 4.741 4.740 0.010 0.000 0.181 1328 N C 1.386 176.952 175.510 0.093 0.000 1.080 1328 N CA 0.437 53.650 53.050 0.272 0.000 0.893 1328 N CB 0.245 39.011 38.487 0.466 0.000 0.973 1328 N HN 0.308 nan 8.380 nan 0.000 0.456 1329 C N -1.376 117.839 119.300 -0.141 0.000 2.378 1329 C HA 0.285 4.751 4.460 0.010 0.000 0.389 1329 C C 1.709 176.160 174.990 -0.899 0.000 1.394 1329 C CA -0.264 58.350 59.018 -0.673 0.000 2.275 1329 C CB -0.753 26.320 27.740 -1.113 0.000 2.567 1329 C HN 0.346 nan 8.230 nan 0.000 0.556 1330 F N 1.215 120.850 119.950 -0.525 0.000 2.664 1330 F HA 0.265 4.798 4.527 0.009 0.000 0.296 1330 F C 2.028 177.804 175.800 -0.039 0.000 1.125 1330 F CA 1.332 59.207 58.000 -0.207 0.000 1.444 1330 F CB -0.262 38.696 39.000 -0.069 0.000 1.114 1330 F HN 0.379 nan 8.300 nan 0.000 0.576 1331 G N 0.227 109.104 108.800 0.128 0.000 2.160 1331 G HA2 -0.294 3.672 3.960 0.010 0.000 0.244 1331 G HA3 -0.294 3.672 3.960 0.010 0.000 0.244 1331 G C -0.081 174.899 174.900 0.133 0.000 1.022 1331 G CA -0.119 45.050 45.100 0.115 0.000 0.741 1331 G HN 0.287 nan 8.290 nan 0.000 0.508 1332 C N 0.527 119.932 119.300 0.174 0.000 2.627 1332 C HA 0.331 4.797 4.460 0.010 0.000 0.404 1332 C C 1.845 176.908 174.990 0.121 0.000 1.340 1332 C CA -0.102 58.998 59.018 0.137 0.000 1.758 1332 C CB 0.460 28.281 27.740 0.134 0.000 2.501 1332 C HN 0.633 nan 8.230 nan 0.000 0.588 1333 E N 0.603 120.853 120.200 0.084 0.000 2.216 1333 E HA -0.075 4.280 4.350 0.010 0.000 0.192 1333 E C 1.191 177.844 176.600 0.089 0.000 0.988 1333 E CA 0.986 57.424 56.400 0.063 0.000 0.834 1333 E CB 0.306 30.018 29.700 0.021 0.000 0.772 1333 E HN 0.903 nan 8.360 nan 0.000 0.479 1334 T N -1.976 112.653 114.554 0.125 0.000 2.926 1334 T HA 0.461 4.817 4.350 0.010 0.000 0.289 1334 T C -0.758 174.060 174.700 0.197 0.000 1.054 1334 T CA -0.996 61.227 62.100 0.205 0.000 1.015 1334 T CB 2.205 71.274 68.868 0.336 0.000 1.167 1334 T HN -0.161 nan 8.240 nan 0.000 0.526 1335 Q N 0.531 120.442 119.800 0.185 0.000 2.275 1335 Q HA 0.668 5.014 4.340 0.010 0.000 0.266 1335 Q C -1.221 174.666 176.000 -0.189 0.000 1.002 1335 Q CA -0.477 55.348 55.803 0.036 0.000 0.761 1335 Q CB 1.552 30.324 28.738 0.057 0.000 1.255 1335 Q HN 1.125 nan 8.270 nan 0.000 0.446 1336 A N 3.229 125.825 122.820 -0.374 0.000 2.309 1336 A HA 0.735 5.060 4.320 0.010 0.000 0.298 1336 A C -0.892 176.426 177.584 -0.444 0.000 1.165 1336 A CA -0.532 51.028 52.037 -0.794 0.000 0.821 1336 A CB 1.057 19.469 19.000 -0.979 0.000 1.102 1336 A HN 0.556 nan 8.150 nan 0.000 0.500 1337 V N 3.985 123.654 119.914 -0.408 0.000 2.350 1337 V HA 0.344 4.470 4.120 0.010 0.000 0.285 1337 V C -0.488 175.541 176.094 -0.109 0.000 1.014 1337 V CA -0.071 62.131 62.300 -0.164 0.000 0.831 1337 V CB 0.865 32.630 31.823 -0.097 0.000 1.000 1337 V HN 0.717 nan 8.190 nan 0.000 0.433 1338 L N 7.771 128.941 121.223 -0.089 0.000 2.408 1338 L HA 0.432 4.778 4.340 0.010 0.000 0.257 1338 L C -2.530 174.466 176.870 0.210 0.000 1.053 1338 L CA -1.416 53.404 54.840 -0.034 0.000 0.922 1338 L CB 1.924 43.775 42.059 -0.348 0.000 1.261 1338 L HN 0.403 nan 8.230 nan 0.000 0.458 1339 P HA 0.093 nan 4.420 nan 0.000 0.287 1339 P C -1.046 176.478 177.300 0.373 0.000 1.281 1339 P CA -0.313 62.995 63.100 0.347 0.000 0.781 1339 P CB 0.863 32.702 31.700 0.231 0.000 0.903 1340 Y N 2.727 123.161 120.300 0.224 0.000 2.667 1340 Y HA 0.294 4.850 4.550 0.010 0.000 0.340 1340 Y C 0.679 176.661 175.900 0.137 0.000 1.303 1340 Y CA 0.165 58.381 58.100 0.193 0.000 1.769 1340 Y CB -0.220 38.394 38.460 0.257 0.000 1.804 1340 Y HN 0.354 nan 8.280 nan 0.000 0.451 1341 D N 1.078 121.594 120.400 0.194 0.000 2.726 1341 D HA 0.004 4.649 4.640 0.010 0.000 0.203 1341 D C 0.306 176.686 176.300 0.133 0.000 1.297 1341 D CA -0.188 53.917 54.000 0.174 0.000 0.863 1341 D CB 1.553 42.491 40.800 0.230 0.000 1.669 1341 D HN 0.247 nan 8.370 nan 0.000 0.561 1342 Q N 2.553 122.382 119.800 0.047 0.000 2.170 1342 Q HA -0.097 4.249 4.340 0.010 0.000 0.203 1342 Q C 1.164 177.257 176.000 0.155 0.000 0.976 1342 Q CA 1.658 57.470 55.803 0.016 0.000 0.858 1342 Q CB -0.167 28.485 28.738 -0.143 0.000 0.907 1342 Q HN 0.677 nan 8.270 nan 0.000 0.433 1343 Y N -0.690 119.725 120.300 0.192 0.000 2.333 1343 Y HA -0.098 4.457 4.550 0.010 0.000 0.290 1343 Y C 1.047 177.041 175.900 0.157 0.000 1.144 1343 Y CA 0.307 58.529 58.100 0.203 0.000 1.228 1343 Y CB 0.258 38.809 38.460 0.152 0.000 0.985 1343 Y HN 0.050 nan 8.280 nan 0.000 0.542 1344 L N 0.696 122.087 121.223 0.279 0.000 2.737 1344 L HA 0.012 4.358 4.340 0.010 0.000 0.236 1344 L C 1.445 178.425 176.870 0.182 0.000 1.219 1344 L CA -0.046 54.897 54.840 0.171 0.000 1.021 1344 L CB -0.637 41.479 42.059 0.095 0.000 1.291 1344 L HN 0.441 nan 8.230 nan 0.000 0.470 1345 H N -1.722 117.442 119.070 0.156 0.000 2.543 1345 H HA -0.038 4.524 4.556 0.009 0.000 0.286 1345 H C 1.639 177.044 175.328 0.127 0.000 1.037 1345 H CA 0.711 56.833 56.048 0.125 0.000 1.250 1345 H CB 0.012 29.823 29.762 0.082 0.000 1.373 1345 H HN 0.055 nan 8.280 nan 0.000 0.580 1346 R N -0.654 119.692 120.500 -0.255 0.000 2.508 1346 R HA 0.112 4.458 4.340 0.010 0.000 0.300 1346 R C 0.756 177.069 176.300 0.021 0.000 0.970 1346 R CA -0.222 55.794 56.100 -0.139 0.000 1.102 1346 R CB -0.734 29.388 30.300 -0.297 0.000 1.246 1346 R HN 0.333 nan 8.270 nan 0.000 0.539 1347 F N 2.005 121.936 119.950 -0.032 0.000 2.075 1347 F HA -0.153 4.379 4.527 0.010 0.000 0.297 1347 F C 2.139 178.031 175.800 0.154 0.000 1.113 1347 F CA 1.714 59.755 58.000 0.069 0.000 1.218 1347 F CB -0.177 38.895 39.000 0.120 0.000 0.984 1347 F HN 0.092 nan 8.300 nan 0.000 0.472 1348 A N 0.273 123.188 122.820 0.159 0.000 1.908 1348 A HA -0.106 4.220 4.320 0.010 0.000 0.218 1348 A C 2.407 179.981 177.584 -0.017 0.000 1.181 1348 A CA 1.993 54.053 52.037 0.038 0.000 0.627 1348 A CB -1.611 17.430 19.000 0.069 0.000 0.818 1348 A HN 0.496 nan 8.150 nan 0.000 0.445 1349 A N -1.711 121.110 122.820 0.002 0.000 1.972 1349 A HA -0.118 4.208 4.320 0.010 0.000 0.219 1349 A C 2.119 179.634 177.584 -0.116 0.000 1.169 1349 A CA 1.679 53.696 52.037 -0.035 0.000 0.635 1349 A CB -0.765 18.227 19.000 -0.014 0.000 0.810 1349 A HN 0.754 nan 8.150 nan 0.000 0.446 1350 Y N -0.838 119.286 120.300 -0.293 0.000 2.181 1350 Y HA -0.162 4.394 4.550 0.010 0.000 0.288 1350 Y C 1.705 177.247 175.900 -0.597 0.000 1.146 1350 Y CA 1.829 59.641 58.100 -0.480 0.000 1.164 1350 Y CB -0.350 37.725 38.460 -0.642 0.000 0.982 1350 Y HN 0.280 nan 8.280 nan 0.000 0.515 1351 F N -0.034 119.687 119.950 -0.381 0.000 2.780 1351 F HA -0.029 4.504 4.527 0.009 0.000 0.299 1351 F C 2.456 178.066 175.800 -0.317 0.000 1.146 1351 F CA 0.797 58.541 58.000 -0.427 0.000 1.428 1351 F CB -0.214 38.498 39.000 -0.479 0.000 1.115 1351 F HN 0.124 nan 8.300 nan 0.000 0.583 1352 Q N 0.587 120.309 119.800 -0.129 0.000 2.079 1352 Q HA -0.269 4.076 4.340 0.010 0.000 0.200 1352 Q C 2.308 178.225 176.000 -0.138 0.000 0.974 1352 Q CA 1.859 57.612 55.803 -0.083 0.000 0.840 1352 Q CB -0.057 28.647 28.738 -0.057 0.000 0.898 1352 Q HN 0.555 nan 8.270 nan 0.000 0.430 1353 Q N -1.026 118.621 119.800 -0.256 0.000 2.033 1353 Q HA -0.078 4.268 4.340 0.010 0.000 0.196 1353 Q C 1.982 177.778 176.000 -0.339 0.000 0.970 1353 Q CA 1.410 57.041 55.803 -0.287 0.000 0.828 1353 Q CB -0.424 28.099 28.738 -0.357 0.000 0.895 1353 Q HN 0.421 nan 8.270 nan 0.000 0.440 1354 G N 0.930 109.404 108.800 -0.544 0.000 2.469 1354 G HA2 -0.319 3.646 3.960 0.010 0.000 0.219 1354 G HA3 -0.319 3.646 3.960 0.010 0.000 0.219 1354 G C 1.249 176.037 174.900 -0.185 0.000 1.150 1354 G CA 1.171 45.956 45.100 -0.525 0.000 0.763 1354 G HN 0.469 nan 8.290 nan 0.000 0.561 1355 D N 0.087 120.457 120.400 -0.051 0.000 2.146 1355 D HA 0.026 4.672 4.640 0.010 0.000 0.209 1355 D C 2.776 179.094 176.300 0.030 0.000 0.973 1355 D CA 0.550 54.579 54.000 0.049 0.000 0.860 1355 D CB -0.203 40.643 40.800 0.076 0.000 1.015 1355 D HN 0.275 nan 8.370 nan 0.000 0.465 1356 M N 0.445 120.043 119.600 -0.004 0.000 2.117 1356 M HA -0.114 4.371 4.480 0.010 0.000 0.262 1356 M C 2.199 178.489 176.300 -0.015 0.000 1.065 1356 M CA 1.260 56.558 55.300 -0.003 0.000 1.114 1356 M CB -0.241 32.349 32.600 -0.017 0.000 1.361 1356 M HN 0.046 nan 8.290 nan 0.000 0.408 1357 E N -0.225 119.945 120.200 -0.050 0.000 2.208 1357 E HA -0.101 4.255 4.350 0.010 0.000 0.193 1357 E C 1.796 178.389 176.600 -0.012 0.000 0.988 1357 E CA 0.891 57.265 56.400 -0.042 0.000 0.828 1357 E CB 0.282 29.933 29.700 -0.081 0.000 0.763 1357 E HN 0.377 nan 8.360 nan 0.000 0.478 1358 S N 0.423 116.118 115.700 -0.007 0.000 2.356 1358 S HA 0.005 4.481 4.470 0.010 0.000 0.219 1358 S C 1.272 175.889 174.600 0.029 0.000 1.036 1358 S CA 0.839 59.045 58.200 0.010 0.000 0.965 1358 S CB -0.067 63.155 63.200 0.038 0.000 0.864 1358 S HN 0.335 nan 8.310 nan 0.000 0.471 1359 N N 0.520 119.267 118.700 0.078 0.000 2.214 1359 N HA 0.169 4.915 4.740 0.010 0.000 0.214 1359 N C 0.373 175.909 175.510 0.043 0.000 1.132 1359 N CA -0.247 52.880 53.050 0.129 0.000 0.856 1359 N CB 0.654 39.336 38.487 0.324 0.000 1.020 1359 N HN 0.235 nan 8.380 nan 0.000 0.509 1360 G N 1.317 110.133 108.800 0.026 0.000 3.209 1360 G HA2 0.119 4.085 3.960 0.010 0.000 0.274 1360 G HA3 0.119 4.085 3.960 0.010 0.000 0.274 1360 G C -0.048 174.873 174.900 0.036 0.000 0.850 1360 G CA -0.055 45.045 45.100 0.000 0.000 1.907 1360 G HN -0.003 nan 8.290 nan 0.000 0.591 1361 K N 0.540 120.959 120.400 0.031 0.000 2.443 1361 K HA 0.333 4.659 4.320 0.010 0.000 0.251 1361 K C -0.555 176.111 176.600 0.110 0.000 0.972 1361 K CA -1.012 55.335 56.287 0.100 0.000 0.833 1361 K CB 2.000 34.548 32.500 0.079 0.000 1.317 1361 K HN 0.443 nan 8.250 nan 0.000 0.441 1362 Y N -1.214 119.049 120.300 -0.062 0.000 2.672 1362 Y HA 0.442 4.998 4.550 0.010 0.000 0.252 1362 Y C -0.367 175.484 175.900 -0.082 0.000 1.132 1362 Y CA -0.610 57.426 58.100 -0.107 0.000 1.228 1362 Y CB 0.841 39.242 38.460 -0.099 0.000 1.310 1362 Y HN 0.153 nan 8.280 nan 0.000 0.549 1363 I N 2.816 123.140 120.570 -0.409 0.000 2.465 1363 I HA 0.276 4.452 4.170 0.010 0.000 0.291 1363 I C 0.392 176.424 176.117 -0.141 0.000 1.014 1363 I CA -0.765 60.309 61.300 -0.376 0.000 1.093 1363 I CB 1.826 39.552 38.000 -0.457 0.000 1.267 1363 I HN 0.312 nan 8.210 nan 0.000 0.431 1364 T N 2.131 116.632 114.554 -0.089 0.000 2.816 1364 T HA 0.304 4.659 4.350 0.010 0.000 0.282 1364 T C 1.044 175.746 174.700 0.004 0.000 0.993 1364 T CA -0.540 61.556 62.100 -0.007 0.000 0.994 1364 T CB 1.310 70.187 68.868 0.016 0.000 1.025 1364 T HN 0.547 nan 8.240 nan 0.000 0.529 1365 K N 0.389 120.813 120.400 0.040 0.000 2.360 1365 K HA -0.073 4.253 4.320 0.010 0.000 0.201 1365 K C 2.276 178.892 176.600 0.027 0.000 1.046 1365 K CA 1.357 57.673 56.287 0.049 0.000 0.945 1365 K CB -0.207 32.335 32.500 0.069 0.000 0.750 1365 K HN 0.762 nan 8.250 nan 0.000 0.464 1366 S N -1.125 114.584 115.700 0.014 0.000 2.575 1366 S HA 0.139 4.614 4.470 0.010 0.000 0.215 1366 S C 1.369 175.960 174.600 -0.014 0.000 0.966 1366 S CA 0.334 58.537 58.200 0.005 0.000 0.911 1366 S CB 0.540 63.745 63.200 0.009 0.000 0.780 1366 S HN 0.410 nan 8.310 nan 0.000 0.514 1367 G N 0.734 109.515 108.800 -0.032 0.000 2.195 1367 G HA2 -0.114 3.852 3.960 0.010 0.000 0.246 1367 G HA3 -0.114 3.852 3.960 0.010 0.000 0.246 1367 G C 0.283 175.138 174.900 -0.075 0.000 0.984 1367 G CA -0.130 44.933 45.100 -0.061 0.000 0.633 1367 G HN 1.252 nan 8.290 nan 0.000 0.525 1368 A N 0.233 123.019 122.820 -0.056 0.000 2.371 1368 A HA 0.690 5.015 4.320 0.010 0.000 0.257 1368 A C 0.750 178.277 177.584 -0.094 0.000 1.089 1368 A CA 0.378 52.382 52.037 -0.054 0.000 0.794 1368 A CB 0.347 19.333 19.000 -0.023 0.000 1.029 1368 A HN 0.672 nan 8.150 nan 0.000 0.488 1369 R N 1.636 122.084 120.500 -0.087 0.000 2.340 1369 R HA 0.387 4.733 4.340 0.010 0.000 0.300 1369 R C 0.048 176.289 176.300 -0.099 0.000 1.069 1369 R CA -0.346 55.691 56.100 -0.105 0.000 0.984 1369 R CB 0.448 30.736 30.300 -0.019 0.000 1.003 1369 R HN 0.767 nan 8.270 nan 0.000 0.459 1370 V N 1.675 121.492 119.914 -0.162 0.000 2.872 1370 V HA 0.063 4.189 4.120 0.010 0.000 0.307 1370 V C 0.107 176.040 176.094 -0.270 0.000 1.072 1370 V CA -0.098 61.998 62.300 -0.339 0.000 1.148 1370 V CB 1.090 32.548 31.823 -0.610 0.000 0.954 1370 V HN 0.955 nan 8.190 nan 0.000 0.490 1371 D N 1.215 121.451 120.400 -0.272 0.000 2.696 1371 D HA 0.253 4.899 4.640 0.010 0.000 0.269 1371 D C -0.059 176.229 176.300 -0.020 0.000 1.319 1371 D CA 0.064 54.013 54.000 -0.086 0.000 0.826 1371 D CB -0.491 40.319 40.800 0.016 0.000 1.086 1371 D HN 1.048 nan 8.370 nan 0.000 0.481 1372 H N -3.522 115.532 119.070 -0.026 0.000 2.990 1372 H HA 0.527 5.088 4.556 0.010 0.000 0.336 1372 H C -0.661 174.597 175.328 -0.116 0.000 1.306 1372 H CA -1.009 55.021 56.048 -0.030 0.000 1.118 1372 H CB 0.448 30.192 29.762 -0.030 0.000 1.856 1372 H HN -0.295 nan 8.280 nan 0.000 0.538 1373 Q N 0.662 120.506 119.800 0.074 0.000 2.394 1373 Q HA 0.320 4.665 4.340 0.010 0.000 0.248 1373 Q C 0.232 175.985 176.000 -0.412 0.000 0.992 1373 Q CA 0.623 56.364 55.803 -0.105 0.000 0.888 1373 Q CB 1.594 30.322 28.738 -0.017 0.000 1.257 1373 Q HN 0.983 nan 8.270 nan 0.000 0.462 1374 T N -2.799 111.364 114.554 -0.652 0.000 2.586 1374 T HA 0.557 4.913 4.350 0.010 0.000 0.224 1374 T C 0.532 174.594 174.700 -1.063 0.000 0.878 1374 T CA -0.311 60.949 62.100 -1.400 0.000 1.153 1374 T CB -0.289 68.097 68.868 -0.802 0.000 1.777 1374 T HN 0.601 nan 8.240 nan 0.000 0.522 1375 G N 3.174 111.566 108.800 -0.679 0.000 2.257 1375 G HA2 0.421 4.386 3.960 0.010 0.000 0.235 1375 G HA3 0.421 4.386 3.960 0.010 0.000 0.235 1375 G C -2.171 172.716 174.900 -0.021 0.000 1.225 1375 G CA -0.552 44.489 45.100 -0.098 0.000 0.878 1375 G HN 0.707 nan 8.290 nan 0.000 0.505 1376 P HA 0.388 nan 4.420 nan 0.000 0.283 1376 P C -0.199 177.152 177.300 0.084 0.000 1.278 1376 P CA -0.794 62.366 63.100 0.101 0.000 0.834 1376 P CB 1.573 33.372 31.700 0.166 0.000 1.150 1377 I N 0.818 121.439 120.570 0.085 0.000 2.379 1377 I HA 0.125 4.300 4.170 0.010 0.000 0.290 1377 I C 0.323 176.552 176.117 0.186 0.000 1.063 1377 I CA -0.584 60.769 61.300 0.088 0.000 1.351 1377 I CB 0.881 38.903 38.000 0.038 0.000 1.410 1377 I HN -0.020 nan 8.210 nan 0.000 0.505 1378 V N 7.667 127.669 119.914 0.146 0.000 2.509 1378 V HA 0.459 4.584 4.120 0.010 0.000 0.284 1378 V C -0.281 175.948 176.094 0.225 0.000 1.047 1378 V CA -0.212 62.170 62.300 0.137 0.000 0.952 1378 V CB 1.178 33.020 31.823 0.031 0.000 0.988 1378 V HN 0.823 nan 8.190 nan 0.000 0.469 1379 W N 2.763 124.016 121.300 -0.079 0.000 2.937 1379 W HA 0.801 5.468 4.660 0.011 0.000 0.360 1379 W C -0.303 176.158 176.519 -0.098 0.000 1.215 1379 W CA -0.516 56.770 57.345 -0.099 0.000 1.183 1379 W CB 1.130 30.503 29.460 -0.146 0.000 1.458 1379 W HN 1.083 nan 8.180 nan 0.000 0.574 1380 G N 0.766 109.536 108.800 -0.051 0.000 2.361 1380 G HA2 0.351 4.317 3.960 0.010 0.000 0.305 1380 G HA3 0.351 4.317 3.960 0.010 0.000 0.305 1380 G C -1.956 173.018 174.900 0.124 0.000 1.367 1380 G CA -0.889 44.084 45.100 -0.212 0.000 0.951 1380 G HN 0.565 nan 8.290 nan 0.000 0.615 1381 E N -0.269 120.099 120.200 0.280 0.000 2.408 1381 E HA 0.579 4.935 4.350 0.010 0.000 0.275 1381 E C -2.613 174.113 176.600 0.210 0.000 0.935 1381 E CA -1.428 55.153 56.400 0.301 0.000 0.775 1381 E CB 2.540 32.501 29.700 0.435 0.000 1.277 1381 E HN 0.343 nan 8.360 nan 0.000 0.455 1382 P HA 0.126 nan 4.420 nan 0.000 0.269 1382 P C -0.061 177.145 177.300 -0.156 0.000 1.215 1382 P CA -0.145 62.973 63.100 0.030 0.000 0.780 1382 P CB 0.412 32.145 31.700 0.054 0.000 0.898 1383 G N -0.027 108.484 108.800 -0.483 0.000 2.356 1383 G HA2 0.407 4.373 3.960 0.010 0.000 0.298 1383 G HA3 0.407 4.373 3.960 0.010 0.000 0.298 1383 G C 0.792 175.199 174.900 -0.821 0.000 1.145 1383 G CA -0.344 44.003 45.100 -1.254 0.000 0.850 1383 G HN 0.523 nan 8.290 nan 0.000 0.487 1384 T N -0.851 113.429 114.554 -0.456 0.000 3.040 1384 T HA 0.033 4.388 4.350 0.010 0.000 0.250 1384 T C 1.643 176.205 174.700 -0.230 0.000 1.058 1384 T CA 0.006 61.909 62.100 -0.328 0.000 0.988 1384 T CB -0.027 68.822 68.868 -0.032 0.000 0.993 1384 T HN 0.436 nan 8.240 nan 0.000 0.519 1385 N N 2.179 120.758 118.700 -0.202 0.000 2.091 1385 N HA -0.138 4.608 4.740 0.010 0.000 0.193 1385 N C 2.177 177.537 175.510 -0.251 0.000 1.021 1385 N CA 1.806 54.773 53.050 -0.139 0.000 0.862 1385 N CB -0.667 37.757 38.487 -0.105 0.000 1.018 1385 N HN 0.624 nan 8.380 nan 0.000 0.429 1386 G N 1.266 109.805 108.800 -0.435 0.000 2.442 1386 G HA2 -0.279 3.687 3.960 0.010 0.000 0.219 1386 G HA3 -0.279 3.687 3.960 0.010 0.000 0.219 1386 G C 1.419 175.655 174.900 -1.107 0.000 1.141 1386 G CA 0.608 45.193 45.100 -0.858 0.000 0.763 1386 G HN 0.432 nan 8.290 nan 0.000 0.554 1387 Q N -0.606 118.406 119.800 -1.313 0.000 2.297 1387 Q HA -0.100 4.245 4.340 0.010 0.000 0.208 1387 Q C 1.827 177.458 176.000 -0.614 0.000 0.981 1387 Q CA 1.115 56.239 55.803 -1.133 0.000 0.876 1387 Q CB -0.092 28.173 28.738 -0.789 0.000 0.921 1387 Q HN 0.665 nan 8.270 nan 0.000 0.446 1388 H N -2.295 116.573 119.070 -0.337 0.000 2.586 1388 H HA 0.322 4.883 4.556 0.009 0.000 0.273 1388 H C 1.116 176.369 175.328 -0.125 0.000 0.997 1388 H CA 0.594 56.541 56.048 -0.169 0.000 1.177 1388 H CB 0.808 30.488 29.762 -0.138 0.000 1.471 1388 H HN 0.248 nan 8.280 nan 0.000 0.538 1389 A N 0.781 123.532 122.820 -0.115 0.000 1.983 1389 A HA 0.102 4.428 4.320 0.010 0.000 0.207 1389 A C 1.324 178.974 177.584 0.109 0.000 1.412 1389 A CA 0.326 52.348 52.037 -0.025 0.000 0.750 1389 A CB -0.229 18.754 19.000 -0.027 0.000 1.047 1389 A HN 0.247 nan 8.150 nan 0.000 0.504 1390 F N -4.417 115.702 119.950 0.281 0.000 2.817 1390 F HA 0.435 4.968 4.527 0.009 0.000 0.333 1390 F C 1.232 177.272 175.800 0.400 0.000 1.085 1390 F CA -0.821 57.366 58.000 0.311 0.000 1.170 1390 F CB -0.216 38.987 39.000 0.338 0.000 1.066 1390 F HN 0.054 nan 8.300 nan 0.000 0.564 1391 Y N 2.006 122.375 120.300 0.116 0.000 2.365 1391 Y HA -0.213 4.342 4.550 0.009 0.000 0.287 1391 Y C 2.708 178.812 175.900 0.341 0.000 1.162 1391 Y CA 1.548 59.810 58.100 0.271 0.000 1.260 1391 Y CB -0.898 37.687 38.460 0.209 0.000 0.976 1391 Y HN 0.325 nan 8.280 nan 0.000 0.548 1392 Q N 0.618 120.651 119.800 0.389 0.000 2.112 1392 Q HA -0.218 4.128 4.340 0.010 0.000 0.206 1392 Q C 2.197 178.346 176.000 0.249 0.000 0.987 1392 Q CA 1.988 57.957 55.803 0.276 0.000 0.858 1392 Q CB -0.779 28.065 28.738 0.177 0.000 0.905 1392 Q HN 0.628 nan 8.270 nan 0.000 0.420 1393 L N -0.722 120.651 121.223 0.251 0.000 2.109 1393 L HA -0.016 4.330 4.340 0.010 0.000 0.207 1393 L C 2.132 179.103 176.870 0.168 0.000 1.086 1393 L CA 0.935 55.884 54.840 0.182 0.000 0.760 1393 L CB -0.130 42.029 42.059 0.166 0.000 0.910 1393 L HN 0.338 nan 8.230 nan 0.000 0.437 1394 I N -0.895 119.798 120.570 0.204 0.000 2.252 1394 I HA -0.316 3.859 4.170 0.010 0.000 0.245 1394 I C 2.161 178.286 176.117 0.013 0.000 1.102 1394 I CA 1.388 62.734 61.300 0.078 0.000 1.385 1394 I CB -0.455 37.526 38.000 -0.032 0.000 1.064 1394 I HN 0.343 nan 8.210 nan 0.000 0.414 1395 H N 0.220 119.385 119.070 0.158 0.000 2.343 1395 H HA -0.007 4.555 4.556 0.009 0.000 0.303 1395 H C 1.198 176.564 175.328 0.063 0.000 1.068 1395 H CA 1.057 57.212 56.048 0.178 0.000 1.359 1395 H CB 0.257 30.213 29.762 0.324 0.000 1.402 1395 H HN 0.308 nan 8.280 nan 0.000 0.515 1396 Q N 0.025 119.901 119.800 0.127 0.000 2.110 1396 Q HA 0.228 4.574 4.340 0.010 0.000 0.232 1396 Q C 0.418 176.427 176.000 0.015 0.000 0.810 1396 Q CA -0.258 55.538 55.803 -0.011 0.000 1.083 1396 Q CB 1.999 30.652 28.738 -0.142 0.000 1.193 1396 Q HN 0.317 nan 8.270 nan 0.000 0.471 1397 G N 0.590 109.419 108.800 0.048 0.000 2.509 1397 G HA2 0.188 4.154 3.960 0.010 0.000 0.269 1397 G HA3 0.188 4.154 3.960 0.010 0.000 0.269 1397 G C 0.658 175.573 174.900 0.025 0.000 1.416 1397 G CA 0.061 45.185 45.100 0.039 0.000 1.052 1397 G HN 0.194 nan 8.290 nan 0.000 0.542 1398 T N -2.665 111.901 114.554 0.021 0.000 3.182 1398 T HA 0.422 4.777 4.350 0.010 0.000 0.277 1398 T C 0.189 174.903 174.700 0.023 0.000 1.013 1398 T CA -0.277 61.835 62.100 0.019 0.000 0.900 1398 T CB 0.219 69.094 68.868 0.012 0.000 1.098 1398 T HN 0.174 nan 8.240 nan 0.000 0.543 1399 K N 1.485 121.900 120.400 0.025 0.000 2.259 1399 K HA 0.597 4.923 4.320 0.010 0.000 0.252 1399 K C -0.803 175.813 176.600 0.025 0.000 0.936 1399 K CA -0.682 55.620 56.287 0.026 0.000 0.810 1399 K CB 2.063 34.575 32.500 0.019 0.000 1.143 1399 K HN 0.233 nan 8.250 nan 0.000 0.427 1400 M N 4.569 124.182 119.600 0.022 0.000 2.108 1400 M HA 0.418 4.903 4.480 0.010 0.000 0.354 1400 M C -1.259 175.025 176.300 -0.027 0.000 1.229 1400 M CA -0.217 55.071 55.300 -0.020 0.000 1.081 1400 M CB 0.278 32.861 32.600 -0.029 0.000 1.606 1400 M HN 0.552 nan 8.290 nan 0.000 0.467 1401 I N 7.835 128.375 120.570 -0.050 0.000 2.466 1401 I HA 0.377 4.553 4.170 0.010 0.000 0.279 1401 I C -2.302 173.745 176.117 -0.117 0.000 1.033 1401 I CA -1.988 59.302 61.300 -0.016 0.000 1.123 1401 I CB 1.603 39.667 38.000 0.105 0.000 1.237 1401 I HN 0.483 nan 8.210 nan 0.000 0.460 1402 P HA 0.102 nan 4.420 nan 0.000 0.268 1402 P C -0.947 176.286 177.300 -0.112 0.000 1.204 1402 P CA -0.092 62.848 63.100 -0.265 0.000 0.768 1402 P CB 0.481 32.009 31.700 -0.287 0.000 0.842 1403 C N 2.744 122.015 119.300 -0.048 0.000 2.498 1403 C HA 0.404 4.870 4.460 0.010 0.000 0.316 1403 C C -0.352 174.720 174.990 0.137 0.000 1.209 1403 C CA -0.293 58.719 59.018 -0.010 0.000 1.518 1403 C CB 1.367 29.139 27.740 0.052 0.000 2.147 1403 C HN 0.491 nan 8.230 nan 0.000 0.483 1404 D N 1.726 122.172 120.400 0.077 0.000 2.392 1404 D HA 0.488 5.134 4.640 0.010 0.000 0.228 1404 D C -0.829 175.591 176.300 0.201 0.000 1.074 1404 D CA 0.026 54.157 54.000 0.218 0.000 0.838 1404 D CB 0.549 41.492 40.800 0.237 0.000 1.067 1404 D HN 0.260 nan 8.370 nan 0.000 0.511 1405 F N 2.462 122.509 119.950 0.163 0.000 2.410 1405 F HA 0.440 4.973 4.527 0.010 0.000 0.349 1405 F C -0.083 176.021 175.800 0.506 0.000 1.117 1405 F CA -0.644 57.489 58.000 0.222 0.000 1.104 1405 F CB 0.759 39.620 39.000 -0.231 0.000 1.122 1405 F HN 0.069 nan 8.300 nan 0.000 0.483 1406 L N 5.211 126.852 121.223 0.697 0.000 2.370 1406 L HA 0.728 5.074 4.340 0.010 0.000 0.266 1406 L C -0.795 176.248 176.870 0.288 0.000 1.002 1406 L CA -0.555 54.612 54.840 0.546 0.000 0.818 1406 L CB 2.357 44.703 42.059 0.477 0.000 1.325 1406 L HN 0.574 nan 8.230 nan 0.000 0.418 1407 I N 2.551 122.973 120.570 -0.247 0.000 2.771 1407 I HA 0.430 4.606 4.170 0.010 0.000 0.291 1407 I C -2.907 172.496 176.117 -1.190 0.000 1.527 1407 I CA -1.346 59.592 61.300 -0.604 0.000 1.024 1407 I CB 3.305 40.721 38.000 -0.972 0.000 1.388 1407 I HN 0.400 nan 8.210 nan 0.000 0.447 1408 P HA 0.212 nan 4.420 nan 0.000 0.294 1408 P C 0.375 177.524 177.300 -0.253 0.000 1.294 1408 P CA -0.294 62.329 63.100 -0.795 0.000 0.827 1408 P CB 2.380 33.998 31.700 -0.138 0.000 0.992 1409 V N 2.656 122.454 119.914 -0.194 0.000 2.295 1409 V HA -0.189 3.937 4.120 0.010 0.000 0.246 1409 V C 1.303 177.472 176.094 0.125 0.000 1.049 1409 V CA 1.809 64.094 62.300 -0.025 0.000 1.024 1409 V CB -0.937 30.859 31.823 -0.046 0.000 0.648 1409 V HN 0.596 nan 8.190 nan 0.000 0.447 1410 Q N -0.079 119.727 119.800 0.010 0.000 2.257 1410 Q HA 0.395 4.741 4.340 0.010 0.000 0.255 1410 Q C -0.071 175.787 176.000 -0.237 0.000 0.920 1410 Q CA -0.098 55.655 55.803 -0.082 0.000 0.927 1410 Q CB 1.790 30.509 28.738 -0.030 0.000 1.229 1410 Q HN 0.362 nan 8.270 nan 0.000 0.433 1411 T N 0.814 115.065 114.554 -0.505 0.000 2.922 1411 T HA 0.073 4.429 4.350 0.010 0.000 0.285 1411 T C 0.889 175.452 174.700 -0.227 0.000 1.005 1411 T CA -0.440 61.372 62.100 -0.479 0.000 1.061 1411 T CB 0.928 69.372 68.868 -0.708 0.000 1.007 1411 T HN 0.497 nan 8.240 nan 0.000 0.502 1412 Q N 1.302 121.003 119.800 -0.165 0.000 2.435 1412 Q HA 0.033 4.379 4.340 0.010 0.000 0.207 1412 Q C -0.096 175.551 176.000 -0.589 0.000 0.956 1412 Q CA 0.955 56.570 55.803 -0.313 0.000 0.917 1412 Q CB 0.129 28.724 28.738 -0.239 0.000 0.997 1412 Q HN 0.629 nan 8.270 nan 0.000 0.497 1413 H N 0.436 119.474 119.070 -0.053 0.000 2.488 1413 H HA 0.193 4.755 4.556 0.010 0.000 0.237 1413 H C -2.124 173.153 175.328 -0.085 0.000 1.395 1413 H CA -1.686 54.322 56.048 -0.066 0.000 1.491 1413 H CB 1.094 30.814 29.762 -0.070 0.000 1.567 1413 H HN 0.017 nan 8.280 nan 0.000 0.508 1414 P HA 0.057 nan 4.420 nan 0.000 0.225 1414 P C 0.774 178.083 177.300 0.014 0.000 1.768 1414 P CA -0.123 62.975 63.100 -0.003 0.000 0.943 1414 P CB -0.725 30.960 31.700 -0.025 0.000 1.936 1415 I N -3.050 117.518 120.570 -0.002 0.000 3.060 1415 I HA 0.225 4.401 4.170 0.010 0.000 0.285 1415 I C 0.805 176.935 176.117 0.021 0.000 1.190 1415 I CA -0.668 60.613 61.300 -0.032 0.000 1.363 1415 I CB 0.085 37.999 38.000 -0.143 0.000 1.396 1415 I HN -0.074 nan 8.210 nan 0.000 0.607 1416 R N 1.673 122.191 120.500 0.031 0.000 3.627 1416 R HA -0.204 4.142 4.340 0.010 0.000 0.281 1416 R C 0.007 176.350 176.300 0.071 0.000 1.140 1416 R CA 1.042 57.189 56.100 0.077 0.000 0.761 1416 R CB -2.073 28.335 30.300 0.181 0.000 1.181 1416 R HN 0.929 nan 8.270 nan 0.000 0.472 1417 K N -1.295 119.132 120.400 0.045 0.000 3.077 1417 K HA -0.280 4.046 4.320 0.010 0.000 0.264 1417 K C 0.825 177.457 176.600 0.054 0.000 1.008 1417 K CA 1.070 57.380 56.287 0.038 0.000 0.740 1417 K CB -1.696 30.822 32.500 0.030 0.000 1.273 1417 K HN 0.857 nan 8.250 nan 0.000 0.477 1418 G N -0.182 108.662 108.800 0.074 0.000 2.179 1418 G HA2 -0.359 3.607 3.960 0.010 0.000 0.260 1418 G HA3 -0.359 3.607 3.960 0.010 0.000 0.260 1418 G C 0.629 175.609 174.900 0.134 0.000 0.977 1418 G CA 0.428 45.591 45.100 0.104 0.000 0.641 1418 G HN 0.310 nan 8.290 nan 0.000 0.533 1419 L N 0.408 121.712 121.223 0.134 0.000 2.012 1419 L HA 0.043 4.389 4.340 0.010 0.000 0.210 1419 L C 2.431 179.368 176.870 0.112 0.000 1.073 1419 L CA 3.220 58.124 54.840 0.106 0.000 0.748 1419 L CB -0.669 41.446 42.059 0.093 0.000 0.891 1419 L HN 0.411 nan 8.230 nan 0.000 0.431 1420 H N -2.038 117.066 119.070 0.055 0.000 2.321 1420 H HA -0.162 4.400 4.556 0.009 0.000 0.300 1420 H C 2.196 177.584 175.328 0.100 0.000 1.087 1420 H CA 2.021 58.107 56.048 0.063 0.000 1.319 1420 H CB -0.320 29.477 29.762 0.058 0.000 1.379 1420 H HN 0.513 nan 8.280 nan 0.000 0.501 1421 H N 0.597 119.753 119.070 0.145 0.000 2.423 1421 H HA -0.039 4.523 4.556 0.009 0.000 0.297 1421 H C 2.232 177.589 175.328 0.048 0.000 1.075 1421 H CA 1.508 57.604 56.048 0.080 0.000 1.342 1421 H CB 0.160 29.953 29.762 0.051 0.000 1.395 1421 H HN 0.245 nan 8.280 nan 0.000 0.530 1422 K N 0.214 120.645 120.400 0.052 0.000 2.026 1422 K HA -0.114 4.212 4.320 0.010 0.000 0.208 1422 K C 2.006 178.579 176.600 -0.044 0.000 1.048 1422 K CA 1.807 58.082 56.287 -0.019 0.000 0.929 1422 K CB -0.159 32.348 32.500 0.012 0.000 0.713 1422 K HN 0.328 nan 8.250 nan 0.000 0.439 1423 I N 1.063 121.621 120.570 -0.019 0.000 2.315 1423 I HA -0.254 3.922 4.170 0.010 0.000 0.248 1423 I C 2.367 178.490 176.117 0.011 0.000 1.117 1423 I CA 0.486 61.776 61.300 -0.017 0.000 1.404 1423 I CB -0.188 37.789 38.000 -0.039 0.000 1.071 1423 I HN 0.220 nan 8.210 nan 0.000 0.419 1424 L N 0.748 121.978 121.223 0.011 0.000 2.046 1424 L HA -0.185 4.161 4.340 0.010 0.000 0.208 1424 L C 2.311 179.210 176.870 0.048 0.000 1.077 1424 L CA 1.830 56.715 54.840 0.076 0.000 0.747 1424 L CB -0.390 41.709 42.059 0.067 0.000 0.896 1424 L HN 0.118 nan 8.230 nan 0.000 0.432 1425 L N -0.838 120.295 121.223 -0.150 0.000 2.046 1425 L HA -0.180 4.166 4.340 0.010 0.000 0.208 1425 L C 2.666 179.533 176.870 -0.006 0.000 1.077 1425 L CA 1.162 55.912 54.840 -0.151 0.000 0.747 1425 L CB -0.860 41.045 42.059 -0.256 0.000 0.896 1425 L HN 0.371 nan 8.230 nan 0.000 0.432 1426 A N -0.034 122.777 122.820 -0.015 0.000 1.940 1426 A HA -0.220 4.106 4.320 0.010 0.000 0.219 1426 A C 2.101 179.696 177.584 0.019 0.000 1.176 1426 A CA 1.891 53.924 52.037 -0.006 0.000 0.631 1426 A CB -0.569 18.421 19.000 -0.017 0.000 0.814 1426 A HN 0.472 nan 8.150 nan 0.000 0.446 1427 N N -1.334 117.412 118.700 0.077 0.000 2.171 1427 N HA -0.110 4.635 4.740 0.010 0.000 0.184 1427 N C 1.610 177.171 175.510 0.084 0.000 1.021 1427 N CA 1.442 54.568 53.050 0.127 0.000 0.854 1427 N CB -0.383 38.252 38.487 0.248 0.000 0.994 1427 N HN 0.549 nan 8.380 nan 0.000 0.426 1428 F N 2.339 122.183 119.950 -0.178 0.000 2.091 1428 F HA -0.166 4.367 4.527 0.009 0.000 0.299 1428 F C 2.109 177.700 175.800 -0.349 0.000 1.103 1428 F CA 1.320 58.997 58.000 -0.539 0.000 1.228 1428 F CB -0.343 38.364 39.000 -0.488 0.000 0.984 1428 F HN -0.080 nan 8.300 nan 0.000 0.477 1429 L N -0.113 121.056 121.223 -0.090 0.000 2.044 1429 L HA -0.120 4.226 4.340 0.010 0.000 0.205 1429 L C 2.863 179.580 176.870 -0.256 0.000 1.075 1429 L CA 1.109 55.837 54.840 -0.188 0.000 0.747 1429 L CB -1.264 40.770 42.059 -0.042 0.000 0.903 1429 L HN 0.233 nan 8.230 nan 0.000 0.435 1430 A N -0.721 122.003 122.820 -0.160 0.000 1.933 1430 A HA -0.217 4.109 4.320 0.010 0.000 0.218 1430 A C 2.282 179.777 177.584 -0.147 0.000 1.175 1430 A CA 1.313 53.267 52.037 -0.139 0.000 0.628 1430 A CB -0.390 18.561 19.000 -0.082 0.000 0.814 1430 A HN 0.389 nan 8.150 nan 0.000 0.444 1431 Q N -0.309 119.409 119.800 -0.136 0.000 2.050 1431 Q HA -0.158 4.187 4.340 0.010 0.000 0.202 1431 Q C 2.445 178.283 176.000 -0.270 0.000 0.980 1431 Q CA 2.362 58.142 55.803 -0.038 0.000 0.840 1431 Q CB -1.121 27.748 28.738 0.219 0.000 0.898 1431 Q HN 0.884 nan 8.270 nan 0.000 0.424 1432 T N -1.708 112.453 114.554 -0.654 0.000 2.821 1432 T HA -0.115 4.241 4.350 0.010 0.000 0.267 1432 T C 1.722 176.208 174.700 -0.356 0.000 1.046 1432 T CA 1.308 63.016 62.100 -0.652 0.000 1.139 1432 T CB -0.086 68.288 68.868 -0.824 0.000 0.871 1432 T HN 0.335 nan 8.240 nan 0.000 0.454 1433 E N 1.445 121.458 120.200 -0.312 0.000 2.077 1433 E HA -0.091 4.265 4.350 0.010 0.000 0.193 1433 E C 2.463 178.962 176.600 -0.168 0.000 0.989 1433 E CA 1.031 57.283 56.400 -0.246 0.000 0.800 1433 E CB -0.425 29.141 29.700 -0.223 0.000 0.746 1433 E HN 0.647 nan 8.360 nan 0.000 0.452 1434 A N 1.113 123.863 122.820 -0.118 0.000 1.877 1434 A HA -0.147 4.179 4.320 0.010 0.000 0.216 1434 A C 2.217 179.837 177.584 0.060 0.000 1.186 1434 A CA 1.111 53.119 52.037 -0.047 0.000 0.620 1434 A CB -0.704 18.288 19.000 -0.013 0.000 0.822 1434 A HN 0.303 nan 8.150 nan 0.000 0.443 1435 L N -1.068 120.187 121.223 0.054 0.000 2.079 1435 L HA -0.205 4.141 4.340 0.010 0.000 0.210 1435 L C 2.846 179.716 176.870 -0.000 0.000 1.081 1435 L CA 1.502 56.345 54.840 0.005 0.000 0.752 1435 L CB -0.413 41.563 42.059 -0.139 0.000 0.896 1435 L HN 0.511 nan 8.230 nan 0.000 0.433 1436 M N 0.131 119.700 119.600 -0.052 0.000 2.134 1436 M HA -0.170 4.316 4.480 0.010 0.000 0.262 1436 M C 2.245 178.543 176.300 -0.004 0.000 1.076 1436 M CA 1.829 57.107 55.300 -0.035 0.000 1.143 1436 M CB -0.369 32.157 32.600 -0.123 0.000 1.346 1436 M HN 0.082 nan 8.290 nan 0.000 0.421 1437 K N -0.449 119.925 120.400 -0.044 0.000 2.031 1437 K HA 0.047 4.372 4.320 0.010 0.000 0.205 1437 K C 0.996 177.610 176.600 0.023 0.000 1.049 1437 K CA 1.212 57.484 56.287 -0.025 0.000 0.939 1437 K CB -0.300 32.154 32.500 -0.077 0.000 0.717 1437 K HN 0.607 nan 8.250 nan 0.000 0.438 1438 G N 0.943 109.764 108.800 0.035 0.000 2.645 1438 G HA2 -0.321 3.645 3.960 0.010 0.000 0.239 1438 G HA3 -0.321 3.645 3.960 0.010 0.000 0.239 1438 G C -0.852 174.079 174.900 0.051 0.000 1.331 1438 G CA 0.224 45.393 45.100 0.115 0.000 0.890 1438 G HN 0.376 nan 8.290 nan 0.000 0.572 1439 K N -0.304 120.185 120.400 0.148 0.000 2.656 1439 K HA 0.532 4.858 4.320 0.010 0.000 0.253 1439 K C 0.504 177.186 176.600 0.136 0.000 1.002 1439 K CA 0.120 56.468 56.287 0.102 0.000 0.880 1439 K CB 0.944 33.489 32.500 0.076 0.000 1.232 1439 K HN 1.337 nan 8.250 nan 0.000 0.456 1440 S N 2.139 117.889 115.700 0.083 0.000 2.596 1440 S HA 0.057 4.533 4.470 0.010 0.000 0.260 1440 S C 1.132 175.770 174.600 0.063 0.000 1.336 1440 S CA 0.045 58.286 58.200 0.069 0.000 0.993 1440 S CB 1.056 64.286 63.200 0.050 0.000 0.923 1440 S HN 0.583 nan 8.310 nan 0.000 0.567 1441 T N 1.466 116.048 114.554 0.046 0.000 2.684 1441 T HA -0.101 4.255 4.350 0.010 0.000 0.267 1441 T C 1.675 176.394 174.700 0.032 0.000 1.036 1441 T CA 1.688 63.809 62.100 0.035 0.000 1.148 1441 T CB -0.492 68.388 68.868 0.021 0.000 0.863 1441 T HN 0.647 nan 8.240 nan 0.000 0.436 1442 E N 1.236 121.453 120.200 0.028 0.000 2.110 1442 E HA -0.097 4.259 4.350 0.010 0.000 0.193 1442 E C 2.251 178.865 176.600 0.024 0.000 0.988 1442 E CA 0.984 57.398 56.400 0.023 0.000 0.804 1442 E CB -0.273 29.439 29.700 0.020 0.000 0.745 1442 E HN 0.636 nan 8.360 nan 0.000 0.458 1443 E N 0.706 120.923 120.200 0.028 0.000 2.047 1443 E HA -0.114 4.242 4.350 0.010 0.000 0.191 1443 E C 2.062 178.679 176.600 0.028 0.000 0.987 1443 E CA 0.988 57.402 56.400 0.024 0.000 0.799 1443 E CB -0.102 29.611 29.700 0.023 0.000 0.752 1443 E HN 0.201 nan 8.360 nan 0.000 0.449 1444 A N 1.724 124.572 122.820 0.045 0.000 1.877 1444 A HA -0.227 4.098 4.320 0.010 0.000 0.216 1444 A C 2.123 179.731 177.584 0.040 0.000 1.186 1444 A CA 1.637 53.706 52.037 0.055 0.000 0.620 1444 A CB -0.519 18.528 19.000 0.078 0.000 0.822 1444 A HN 0.101 nan 8.150 nan 0.000 0.443 1445 R N -0.047 120.472 120.500 0.033 0.000 2.083 1445 R HA -0.203 4.143 4.340 0.010 0.000 0.237 1445 R C 2.281 178.594 176.300 0.020 0.000 1.137 1445 R CA 2.085 58.200 56.100 0.025 0.000 0.951 1445 R CB -0.327 29.986 30.300 0.021 0.000 0.851 1445 R HN 0.532 nan 8.270 nan 0.000 0.434 1446 K N 0.432 120.842 120.400 0.017 0.000 2.103 1446 K HA -0.196 4.130 4.320 0.010 0.000 0.207 1446 K C 1.794 178.401 176.600 0.011 0.000 1.048 1446 K CA 2.045 58.339 56.287 0.012 0.000 0.930 1446 K CB 0.014 32.520 32.500 0.009 0.000 0.716 1446 K HN 0.349 nan 8.250 nan 0.000 0.444 1447 E N 0.398 120.606 120.200 0.013 0.000 2.072 1447 E HA -0.163 4.193 4.350 0.010 0.000 0.191 1447 E C 2.094 178.702 176.600 0.014 0.000 0.985 1447 E CA 1.109 57.515 56.400 0.011 0.000 0.801 1447 E CB -0.031 29.676 29.700 0.012 0.000 0.750 1447 E HN 0.296 nan 8.360 nan 0.000 0.452 1448 L N 0.812 122.047 121.223 0.020 0.000 2.083 1448 L HA -0.230 4.116 4.340 0.010 0.000 0.209 1448 L C 2.531 179.410 176.870 0.015 0.000 1.083 1448 L CA 1.214 56.066 54.840 0.021 0.000 0.752 1448 L CB -0.292 41.784 42.059 0.027 0.000 0.899 1448 L HN 0.156 nan 8.230 nan 0.000 0.433 1449 Q N -0.404 119.404 119.800 0.013 0.000 2.079 1449 Q HA -0.167 4.179 4.340 0.010 0.000 0.200 1449 Q C 2.416 178.420 176.000 0.007 0.000 0.974 1449 Q CA 1.565 57.374 55.803 0.010 0.000 0.840 1449 Q CB -0.244 28.500 28.738 0.009 0.000 0.898 1449 Q HN 0.553 nan 8.270 nan 0.000 0.430 1450 A N 0.831 123.655 122.820 0.006 0.000 2.015 1450 A HA -0.013 4.313 4.320 0.010 0.000 0.219 1450 A C 2.118 179.704 177.584 0.003 0.000 1.163 1450 A CA 1.312 53.351 52.037 0.003 0.000 0.646 1450 A CB -0.463 18.538 19.000 0.001 0.000 0.806 1450 A HN 0.363 nan 8.150 nan 0.000 0.448 1451 A N -1.545 121.278 122.820 0.005 0.000 2.235 1451 A HA 0.393 4.719 4.320 0.010 0.000 0.208 1451 A C 1.756 179.343 177.584 0.005 0.000 1.172 1451 A CA 1.176 53.216 52.037 0.005 0.000 0.786 1451 A CB -1.008 17.996 19.000 0.008 0.000 0.804 1451 A HN 1.856 nan 8.150 nan 0.000 0.479 1452 G N -0.612 108.191 108.800 0.005 0.000 2.147 1452 G HA2 -0.232 3.734 3.960 0.010 0.000 0.244 1452 G HA3 -0.232 3.734 3.960 0.010 0.000 0.244 1452 G C 0.082 174.985 174.900 0.006 0.000 1.005 1452 G CA 0.286 45.389 45.100 0.005 0.000 0.713 1452 G HN 0.388 nan 8.290 nan 0.000 0.515 1453 K N 1.157 121.562 120.400 0.009 0.000 2.295 1453 K HA 0.422 4.748 4.320 0.010 0.000 0.270 1453 K C 1.260 177.866 176.600 0.010 0.000 1.011 1453 K CA 0.479 56.773 56.287 0.010 0.000 0.953 1453 K CB 1.125 33.634 32.500 0.015 0.000 0.956 1453 K HN 0.666 nan 8.250 nan 0.000 0.477 1454 S N 2.053 117.759 115.700 0.009 0.000 2.614 1454 S HA 0.199 4.675 4.470 0.010 0.000 0.265 1454 S C -1.313 173.294 174.600 0.011 0.000 1.303 1454 S CA -1.005 57.200 58.200 0.009 0.000 1.000 1454 S CB 0.887 64.092 63.200 0.008 0.000 0.935 1454 S HN 0.385 nan 8.310 nan 0.000 0.551 1455 P HA -0.143 nan 4.420 nan 0.000 0.215 1455 P C 1.076 178.384 177.300 0.013 0.000 1.153 1455 P CA 1.310 64.416 63.100 0.011 0.000 0.853 1455 P CB 0.023 31.729 31.700 0.009 0.000 0.788 1456 E N -0.387 119.821 120.200 0.012 0.000 2.208 1456 E HA -0.112 4.243 4.350 0.010 0.000 0.193 1456 E C 1.498 178.108 176.600 0.017 0.000 0.988 1456 E CA 0.826 57.234 56.400 0.014 0.000 0.828 1456 E CB -0.271 29.435 29.700 0.011 0.000 0.763 1456 E HN 0.298 nan 8.360 nan 0.000 0.478 1457 D N 0.787 121.197 120.400 0.016 0.000 2.183 1457 D HA -0.051 4.595 4.640 0.010 0.000 0.205 1457 D C 2.041 178.357 176.300 0.026 0.000 0.962 1457 D CA 0.197 54.208 54.000 0.018 0.000 0.849 1457 D CB -0.111 40.697 40.800 0.013 0.000 0.978 1457 D HN 0.106 nan 8.370 nan 0.000 0.488 1458 L N 0.474 121.712 121.223 0.024 0.000 2.046 1458 L HA -0.118 4.228 4.340 0.010 0.000 0.208 1458 L C 2.155 179.045 176.870 0.034 0.000 1.077 1458 L CA 1.130 55.987 54.840 0.028 0.000 0.747 1458 L CB -0.108 41.964 42.059 0.022 0.000 0.896 1458 L HN 0.017 nan 8.230 nan 0.000 0.432 1459 M N 0.559 120.177 119.600 0.030 0.000 2.254 1459 M HA -0.195 4.290 4.480 0.010 0.000 0.265 1459 M C 2.148 178.475 176.300 0.045 0.000 1.066 1459 M CA 2.204 57.522 55.300 0.030 0.000 1.123 1459 M CB -0.376 32.237 32.600 0.022 0.000 1.388 1459 M HN 0.403 nan 8.290 nan 0.000 0.425 1460 K N -0.442 119.991 120.400 0.055 0.000 2.243 1460 K HA -0.032 4.293 4.320 0.010 0.000 0.201 1460 K C 1.809 178.504 176.600 0.157 0.000 1.051 1460 K CA 0.887 57.225 56.287 0.085 0.000 0.970 1460 K CB -0.310 32.225 32.500 0.059 0.000 0.755 1460 K HN 0.365 nan 8.250 nan 0.000 0.465 1461 L N 0.700 121.995 121.223 0.119 0.000 2.202 1461 L HA 0.003 4.349 4.340 0.010 0.000 0.205 1461 L C 2.212 179.173 176.870 0.151 0.000 1.083 1461 L CA 0.077 55.007 54.840 0.151 0.000 0.790 1461 L CB -0.239 41.866 42.059 0.076 0.000 0.942 1461 L HN 0.165 nan 8.230 nan 0.000 0.452 1462 L N 1.096 122.370 121.223 0.085 0.000 1.997 1462 L HA -0.244 4.101 4.340 0.010 0.000 0.227 1462 L C -0.567 176.316 176.870 0.022 0.000 1.087 1462 L CA 2.577 57.447 54.840 0.051 0.000 0.797 1462 L CB -1.759 40.318 42.059 0.030 0.000 0.902 1462 L HN 0.102 nan 8.230 nan 0.000 0.441 1463 P HA -0.186 nan 4.420 nan 0.000 0.215 1463 P C 1.376 178.558 177.300 -0.196 0.000 1.157 1463 P CA 1.926 64.932 63.100 -0.156 0.000 0.874 1463 P CB -0.376 31.157 31.700 -0.278 0.000 0.790 1464 H N -0.816 118.239 119.070 -0.026 0.000 2.489 1464 H HA 0.020 4.582 4.556 0.010 0.000 0.293 1464 H C 1.357 176.644 175.328 -0.069 0.000 1.066 1464 H CA 1.046 57.063 56.048 -0.052 0.000 1.305 1464 H CB -0.116 29.627 29.762 -0.031 0.000 1.386 1464 H HN 0.272 nan 8.280 nan 0.000 0.551 1465 K N 0.828 121.279 120.400 0.085 0.000 2.404 1465 K HA 0.140 4.466 4.320 0.010 0.000 0.194 1465 K C 0.124 176.823 176.600 0.166 0.000 1.023 1465 K CA -0.093 56.270 56.287 0.126 0.000 1.094 1465 K CB 0.942 33.526 32.500 0.141 0.000 0.841 1465 K HN -0.090 nan 8.250 nan 0.000 0.523 1466 V N 2.008 121.946 119.914 0.041 0.000 2.498 1466 V HA 0.173 4.299 4.120 0.010 0.000 0.279 1466 V C -0.462 175.632 176.094 -0.000 0.000 1.048 1466 V CA -0.288 62.066 62.300 0.090 0.000 0.967 1466 V CB 0.495 32.334 31.823 0.026 0.000 0.988 1466 V HN 0.004 nan 8.190 nan 0.000 0.473 1467 F N 3.030 122.998 119.950 0.029 0.000 2.375 1467 F HA 0.418 4.951 4.527 0.010 0.000 0.361 1467 F C 1.296 177.125 175.800 0.048 0.000 1.117 1467 F CA -0.718 57.312 58.000 0.050 0.000 1.037 1467 F CB 1.426 40.459 39.000 0.055 0.000 1.192 1467 F HN 0.567 nan 8.300 nan 0.000 0.452 1468 E N 2.214 122.506 120.200 0.154 0.000 2.347 1468 E HA 0.082 4.437 4.350 0.010 0.000 0.196 1468 E C 1.694 178.373 176.600 0.133 0.000 1.008 1468 E CA 0.500 56.969 56.400 0.115 0.000 0.852 1468 E CB 0.029 29.769 29.700 0.067 0.000 0.783 1468 E HN 0.949 nan 8.360 nan 0.000 0.505 1469 G N 2.199 111.106 108.800 0.179 0.000 2.582 1469 G HA2 -0.464 3.502 3.960 0.010 0.000 0.288 1469 G HA3 -0.464 3.502 3.960 0.010 0.000 0.288 1469 G C 0.298 175.256 174.900 0.097 0.000 1.247 1469 G CA 0.276 45.464 45.100 0.147 0.000 0.972 1469 G HN 0.379 nan 8.290 nan 0.000 0.557 1470 N N -0.933 117.819 118.700 0.086 0.000 2.725 1470 N HA -0.187 4.559 4.740 0.010 0.000 0.249 1470 N C 0.167 175.702 175.510 0.042 0.000 1.103 1470 N CA 1.924 55.024 53.050 0.083 0.000 0.707 1470 N CB -0.727 37.818 38.487 0.098 0.000 1.043 1470 N HN 0.863 nan 8.380 nan 0.000 0.553 1471 R N 0.738 121.247 120.500 0.015 0.000 2.265 1471 R HA 0.371 4.716 4.340 0.010 0.000 0.328 1471 R C -2.172 174.095 176.300 -0.056 0.000 0.969 1471 R CA -1.603 54.472 56.100 -0.042 0.000 0.832 1471 R CB 1.164 31.433 30.300 -0.052 0.000 1.139 1471 R HN 0.193 nan 8.270 nan 0.000 0.457 1472 P HA -0.003 nan 4.420 nan 0.000 0.268 1472 P C -0.647 176.619 177.300 -0.056 0.000 1.205 1472 P CA 0.027 63.092 63.100 -0.059 0.000 0.771 1472 P CB 1.311 32.932 31.700 -0.131 0.000 0.858 1473 T N -0.545 114.026 114.554 0.029 0.000 2.868 1473 T HA 0.456 4.812 4.350 0.010 0.000 0.306 1473 T C -0.732 174.056 174.700 0.147 0.000 1.224 1473 T CA -0.911 61.231 62.100 0.070 0.000 1.012 1473 T CB 1.385 70.225 68.868 -0.046 0.000 1.221 1473 T HN 0.237 nan 8.240 nan 0.000 0.499 1474 N N 0.676 119.504 118.700 0.214 0.000 2.321 1474 N HA 0.600 5.346 4.740 0.010 0.000 0.299 1474 N C -1.284 174.385 175.510 0.266 0.000 1.048 1474 N CA -0.565 52.644 53.050 0.264 0.000 0.836 1474 N CB 2.236 40.902 38.487 0.297 0.000 1.269 1474 N HN 0.640 nan 8.380 nan 0.000 0.486 1475 S N 1.839 117.692 115.700 0.254 0.000 2.530 1475 S HA 0.552 5.027 4.470 0.010 0.000 0.322 1475 S C 0.037 174.875 174.600 0.398 0.000 1.085 1475 S CA -0.554 57.830 58.200 0.306 0.000 1.096 1475 S CB 0.496 63.805 63.200 0.181 0.000 0.988 1475 S HN 0.342 nan 8.310 nan 0.000 0.466 1476 I N 3.873 124.724 120.570 0.469 0.000 2.359 1476 I HA 0.387 4.563 4.170 0.010 0.000 0.284 1476 I C -0.802 175.523 176.117 0.347 0.000 1.018 1476 I CA -0.684 60.853 61.300 0.395 0.000 1.173 1476 I CB 1.331 39.564 38.000 0.388 0.000 1.326 1476 I HN 0.230 nan 8.210 nan 0.000 0.462 1477 V N 7.072 127.124 119.914 0.231 0.000 2.459 1477 V HA 0.538 4.664 4.120 0.010 0.000 0.295 1477 V C -0.431 175.707 176.094 0.074 0.000 1.029 1477 V CA -0.662 61.614 62.300 -0.040 0.000 0.874 1477 V CB 1.370 33.166 31.823 -0.046 0.000 0.985 1477 V HN 0.523 nan 8.190 nan 0.000 0.438 1478 F N 0.294 120.261 119.950 0.029 0.000 2.576 1478 F HA 0.616 5.149 4.527 0.009 0.000 0.313 1478 F C 1.183 177.007 175.800 0.040 0.000 1.078 1478 F CA -0.832 57.196 58.000 0.046 0.000 0.921 1478 F CB 1.063 40.086 39.000 0.038 0.000 1.232 1478 F HN 0.308 nan 8.300 nan 0.000 0.459 1479 T N -0.401 114.282 114.554 0.215 0.000 2.653 1479 T HA -0.178 4.178 4.350 0.010 0.000 0.268 1479 T C 0.317 175.097 174.700 0.134 0.000 1.035 1479 T CA 1.944 64.121 62.100 0.129 0.000 1.154 1479 T CB -0.223 68.730 68.868 0.141 0.000 0.862 1479 T HN 0.644 nan 8.240 nan 0.000 0.441 1480 K N -0.414 120.147 120.400 0.268 0.000 2.578 1480 K HA 0.388 4.714 4.320 0.010 0.000 0.269 1480 K C -2.101 174.725 176.600 0.376 0.000 0.941 1480 K CA -0.777 55.663 56.287 0.256 0.000 0.847 1480 K CB 1.393 33.983 32.500 0.150 0.000 1.397 1480 K HN -0.078 nan 8.250 nan 0.000 0.422 1481 L N 4.030 125.471 121.223 0.364 0.000 2.387 1481 L HA 0.239 4.585 4.340 0.010 0.000 0.267 1481 L C -0.281 176.666 176.870 0.129 0.000 1.197 1481 L CA 0.410 55.400 54.840 0.251 0.000 1.070 1481 L CB -0.276 41.969 42.059 0.309 0.000 1.349 1481 L HN 0.692 nan 8.230 nan 0.000 0.422 1482 T N 0.631 115.215 114.554 0.050 0.000 2.897 1482 T HA 0.508 4.864 4.350 0.010 0.000 0.278 1482 T C -1.819 172.733 174.700 -0.247 0.000 0.981 1482 T CA -1.792 60.250 62.100 -0.098 0.000 0.973 1482 T CB 1.127 69.999 68.868 0.007 0.000 1.092 1482 T HN 0.145 nan 8.240 nan 0.000 0.543 1483 P HA -0.019 nan 4.420 nan 0.000 0.215 1483 P C 1.229 178.453 177.300 -0.127 0.000 1.153 1483 P CA 0.751 63.664 63.100 -0.312 0.000 0.853 1483 P CB -0.128 31.359 31.700 -0.355 0.000 0.788 1484 F N 0.074 119.902 119.950 -0.203 0.000 2.075 1484 F HA -0.198 4.334 4.527 0.010 0.000 0.297 1484 F C 1.996 177.728 175.800 -0.113 0.000 1.113 1484 F CA 1.492 59.405 58.000 -0.145 0.000 1.218 1484 F CB -0.617 38.270 39.000 -0.187 0.000 0.984 1484 F HN -0.251 nan 8.300 nan 0.000 0.472 1485 I N 0.224 120.843 120.570 0.082 0.000 2.226 1485 I HA -0.249 3.926 4.170 0.010 0.000 0.245 1485 I C 2.444 178.431 176.117 -0.217 0.000 1.100 1485 I CA 1.155 62.411 61.300 -0.074 0.000 1.374 1485 I CB -1.522 36.444 38.000 -0.056 0.000 1.057 1485 I HN 0.297 nan 8.210 nan 0.000 0.413 1486 L N 1.524 122.632 121.223 -0.192 0.000 2.042 1486 L HA -0.086 4.260 4.340 0.010 0.000 0.210 1486 L C 2.402 179.248 176.870 -0.039 0.000 1.076 1486 L CA 2.241 56.982 54.840 -0.165 0.000 0.749 1486 L CB -1.257 40.712 42.059 -0.150 0.000 0.893 1486 L HN 0.205 nan 8.230 nan 0.000 0.432 1487 G N -1.123 107.655 108.800 -0.037 0.000 2.418 1487 G HA2 -0.253 3.713 3.960 0.010 0.000 0.217 1487 G HA3 -0.253 3.713 3.960 0.010 0.000 0.217 1487 G C 1.601 176.550 174.900 0.081 0.000 1.158 1487 G CA 0.846 46.045 45.100 0.166 0.000 0.771 1487 G HN 0.650 nan 8.290 nan 0.000 0.545 1488 A N 0.567 123.300 122.820 -0.145 0.000 1.902 1488 A HA 0.098 4.423 4.320 0.010 0.000 0.217 1488 A C 2.452 180.046 177.584 0.016 0.000 1.181 1488 A CA 1.285 53.266 52.037 -0.093 0.000 0.623 1488 A CB -0.417 18.472 19.000 -0.186 0.000 0.818 1488 A HN 0.353 nan 8.150 nan 0.000 0.443 1489 L N -0.536 120.681 121.223 -0.009 0.000 2.017 1489 L HA -0.191 4.155 4.340 0.010 0.000 0.208 1489 L C 2.515 179.580 176.870 0.325 0.000 1.073 1489 L CA 1.363 56.240 54.840 0.061 0.000 0.745 1489 L CB -0.574 41.450 42.059 -0.059 0.000 0.894 1489 L HN 0.391 nan 8.230 nan 0.000 0.432 1490 I N -0.087 120.755 120.570 0.453 0.000 2.179 1490 I HA -0.273 3.903 4.170 0.010 0.000 0.242 1490 I C 2.837 179.304 176.117 0.584 0.000 1.088 1490 I CA 1.193 62.923 61.300 0.717 0.000 1.357 1490 I CB -0.559 37.773 38.000 0.553 0.000 1.051 1490 I HN 0.192 nan 8.210 nan 0.000 0.409 1491 A N 0.656 123.685 122.820 0.348 0.000 1.933 1491 A HA -0.269 4.057 4.320 0.010 0.000 0.218 1491 A C 2.431 180.007 177.584 -0.014 0.000 1.175 1491 A CA 1.875 53.958 52.037 0.076 0.000 0.628 1491 A CB -0.689 18.280 19.000 -0.052 0.000 0.814 1491 A HN 0.474 nan 8.150 nan 0.000 0.444 1492 M N -1.723 117.911 119.600 0.057 0.000 2.080 1492 M HA -0.225 4.260 4.480 0.010 0.000 0.260 1492 M C 2.024 178.262 176.300 -0.103 0.000 1.068 1492 M CA 2.046 57.323 55.300 -0.038 0.000 1.109 1492 M CB -0.300 32.209 32.600 -0.152 0.000 1.342 1492 M HN 0.539 nan 8.290 nan 0.000 0.405 1493 Y N 0.408 120.710 120.300 0.002 0.000 2.314 1493 Y HA -0.170 4.387 4.550 0.010 0.000 0.293 1493 Y C 2.286 178.221 175.900 0.059 0.000 1.129 1493 Y CA 1.361 59.376 58.100 -0.143 0.000 1.201 1493 Y CB -0.136 37.830 38.460 -0.823 0.000 0.999 1493 Y HN 0.365 nan 8.280 nan 0.000 0.541 1494 E N -0.588 119.816 120.200 0.341 0.000 2.058 1494 E HA -0.239 4.117 4.350 0.010 0.000 0.194 1494 E C 1.759 178.504 176.600 0.240 0.000 0.997 1494 E CA 1.402 58.018 56.400 0.360 0.000 0.801 1494 E CB -0.204 29.657 29.700 0.268 0.000 0.746 1494 E HN 0.591 nan 8.360 nan 0.000 0.450 1495 H N 0.460 119.612 119.070 0.136 0.000 2.462 1495 H HA -0.020 4.541 4.556 0.010 0.000 0.292 1495 H C 1.992 177.293 175.328 -0.044 0.000 1.049 1495 H CA 0.945 56.924 56.048 -0.114 0.000 1.334 1495 H CB -0.060 29.251 29.762 -0.751 0.000 1.404 1495 H HN 0.122 nan 8.280 nan 0.000 0.544 1496 K N 1.192 121.655 120.400 0.106 0.000 2.026 1496 K HA -0.103 4.223 4.320 0.010 0.000 0.208 1496 K C 2.098 178.776 176.600 0.130 0.000 1.048 1496 K CA 1.153 57.494 56.287 0.090 0.000 0.929 1496 K CB -0.131 32.441 32.500 0.120 0.000 0.713 1496 K HN 0.139 nan 8.250 nan 0.000 0.439 1497 I N 0.737 121.431 120.570 0.207 0.000 2.208 1497 I HA -0.270 3.906 4.170 0.010 0.000 0.245 1497 I C 2.335 178.580 176.117 0.213 0.000 1.097 1497 I CA 1.146 62.574 61.300 0.214 0.000 1.363 1497 I CB -0.347 37.821 38.000 0.280 0.000 1.051 1497 I HN 0.193 nan 8.210 nan 0.000 0.413 1498 F N 1.464 121.520 119.950 0.176 0.000 2.075 1498 F HA -0.208 4.324 4.527 0.009 0.000 0.297 1498 F C 2.371 178.261 175.800 0.151 0.000 1.113 1498 F CA 1.706 59.847 58.000 0.234 0.000 1.218 1498 F CB -0.593 38.648 39.000 0.401 0.000 0.984 1498 F HN -0.231 nan 8.300 nan 0.000 0.472 1499 V N 0.843 120.783 119.914 0.043 0.000 2.287 1499 V HA -0.359 3.766 4.120 0.010 0.000 0.248 1499 V C 2.389 178.318 176.094 -0.274 0.000 1.053 1499 V CA 2.405 64.636 62.300 -0.115 0.000 1.027 1499 V CB -0.980 30.864 31.823 0.036 0.000 0.646 1499 V HN 0.444 nan 8.190 nan 0.000 0.447 1500 Q N -0.007 119.613 119.800 -0.300 0.000 2.084 1500 Q HA -0.141 4.204 4.340 0.010 0.000 0.202 1500 Q C 2.435 178.060 176.000 -0.624 0.000 0.978 1500 Q CA 1.660 57.058 55.803 -0.675 0.000 0.844 1500 Q CB -0.601 27.695 28.738 -0.737 0.000 0.898 1500 Q HN 0.727 nan 8.270 nan 0.000 0.426 1501 G N 0.587 109.261 108.800 -0.210 0.000 2.440 1501 G HA2 -0.244 3.722 3.960 0.010 0.000 0.218 1501 G HA3 -0.244 3.722 3.960 0.010 0.000 0.218 1501 G C 1.540 176.398 174.900 -0.071 0.000 1.154 1501 G CA 1.033 46.141 45.100 0.013 0.000 0.767 1501 G HN 0.214 nan 8.290 nan 0.000 0.552 1502 V N 0.510 120.268 119.914 -0.259 0.000 2.287 1502 V HA -0.191 3.935 4.120 0.010 0.000 0.248 1502 V C 3.041 179.037 176.094 -0.163 0.000 1.053 1502 V CA 1.601 63.761 62.300 -0.233 0.000 1.027 1502 V CB -0.575 31.031 31.823 -0.362 0.000 0.646 1502 V HN 0.252 nan 8.190 nan 0.000 0.447 1503 V N -1.380 118.378 119.914 -0.261 0.000 2.332 1503 V HA -0.248 3.878 4.120 0.010 0.000 0.248 1503 V C 2.154 178.141 176.094 -0.178 0.000 1.055 1503 V CA 1.870 64.003 62.300 -0.277 0.000 1.038 1503 V CB -0.647 30.910 31.823 -0.443 0.000 0.651 1503 V HN 0.657 nan 8.190 nan 0.000 0.450 1504 W N -0.590 120.657 121.300 -0.088 0.000 2.937 1504 W HA 0.156 4.822 4.660 0.010 0.000 0.245 1504 W C 1.333 177.864 176.519 0.020 0.000 1.306 1504 W CA 0.655 57.980 57.345 -0.034 0.000 1.470 1504 W CB -0.923 28.586 29.460 0.082 0.000 1.132 1504 W HN 0.517 nan 8.180 nan 0.000 0.675 1505 D N 0.337 120.835 120.400 0.164 0.000 2.800 1505 D HA -0.207 4.438 4.640 0.010 0.000 0.232 1505 D C 0.009 176.386 176.300 0.128 0.000 1.137 1505 D CA 0.864 54.928 54.000 0.107 0.000 0.718 1505 D CB -1.319 39.531 40.800 0.084 0.000 1.084 1505 D HN 0.282 nan 8.370 nan 0.000 0.432 1506 I N -4.055 116.613 120.570 0.163 0.000 2.947 1506 I HA 0.557 4.732 4.170 0.010 0.000 0.314 1506 I C 0.359 176.552 176.117 0.126 0.000 1.028 1506 I CA -1.141 60.242 61.300 0.137 0.000 1.077 1506 I CB 1.429 39.525 38.000 0.159 0.000 1.274 1506 I HN -0.108 nan 8.210 nan 0.000 0.485 1507 N N 1.797 120.575 118.700 0.130 0.000 2.558 1507 N HA 0.229 4.975 4.740 0.010 0.000 0.233 1507 N C 0.043 175.599 175.510 0.076 0.000 1.038 1507 N CA -0.218 52.932 53.050 0.167 0.000 0.934 1507 N CB 0.804 39.424 38.487 0.221 0.000 1.175 1507 N HN 0.630 nan 8.380 nan 0.000 0.512 1508 S N 2.387 118.016 115.700 -0.118 0.000 2.603 1508 S HA 0.047 4.523 4.470 0.010 0.000 0.229 1508 S C 0.388 174.621 174.600 -0.613 0.000 0.972 1508 S CA 0.406 58.359 58.200 -0.411 0.000 0.935 1508 S CB -0.334 62.483 63.200 -0.637 0.000 0.769 1508 S HN 0.601 nan 8.310 nan 0.000 0.536 1509 F N 1.258 121.336 119.950 0.214 0.000 2.683 1509 F HA 0.289 4.822 4.527 0.010 0.000 0.306 1509 F C 0.484 176.361 175.800 0.127 0.000 1.102 1509 F CA -0.983 57.135 58.000 0.196 0.000 1.244 1509 F CB 0.251 39.356 39.000 0.175 0.000 1.029 1509 F HN 0.089 nan 8.300 nan 0.000 0.545 1510 D N -0.449 120.060 120.400 0.182 0.000 2.592 1510 D HA 0.367 5.013 4.640 0.010 0.000 0.259 1510 D C -0.214 176.031 176.300 -0.092 0.000 1.144 1510 D CA -0.687 53.311 54.000 -0.004 0.000 1.080 1510 D CB 0.665 41.486 40.800 0.035 0.000 1.225 1510 D HN 0.026 nan 8.370 nan 0.000 0.619 1511 Q N -0.667 118.935 119.800 -0.331 0.000 3.576 1511 Q HA 0.119 4.465 4.340 0.010 0.000 0.249 1511 Q C -0.892 174.972 176.000 -0.227 0.000 0.771 1511 Q CA -0.541 55.151 55.803 -0.185 0.000 0.897 1511 Q CB -1.248 27.420 28.738 -0.117 0.000 1.551 1511 Q HN 0.733 nan 8.270 nan 0.000 0.388 1512 W N 0.875 122.216 121.300 0.069 0.000 2.525 1512 W HA 0.131 4.796 4.660 0.009 0.000 0.259 1512 W C 1.946 178.499 176.519 0.057 0.000 1.253 1512 W CA 0.983 58.365 57.345 0.062 0.000 1.262 1512 W CB 0.185 29.682 29.460 0.061 0.000 1.122 1512 W HN 0.610 nan 8.180 nan 0.000 0.607 1513 G N 0.547 109.477 108.800 0.217 0.000 2.625 1513 G HA2 -0.145 3.821 3.960 0.010 0.000 0.214 1513 G HA3 -0.145 3.821 3.960 0.010 0.000 0.214 1513 G C 1.316 176.271 174.900 0.091 0.000 1.132 1513 G CA 1.225 46.414 45.100 0.148 0.000 0.782 1513 G HN 0.314 nan 8.290 nan 0.000 0.538 1514 V N -3.120 116.837 119.914 0.072 0.000 3.354 1514 V HA 0.211 4.337 4.120 0.010 0.000 0.258 1514 V C 1.938 178.068 176.094 0.059 0.000 1.159 1514 V CA 1.057 63.382 62.300 0.041 0.000 1.125 1514 V CB 0.007 31.833 31.823 0.005 0.000 0.774 1514 V HN 0.327 nan 8.190 nan 0.000 0.464 1515 E N 0.692 120.954 120.200 0.103 0.000 2.051 1515 E HA -0.205 4.151 4.350 0.010 0.000 0.192 1515 E C 2.082 178.735 176.600 0.087 0.000 0.991 1515 E CA 1.704 58.172 56.400 0.114 0.000 0.799 1515 E CB -0.250 29.565 29.700 0.192 0.000 0.748 1515 E HN 0.530 nan 8.360 nan 0.000 0.449 1516 L N 0.963 122.237 121.223 0.085 0.000 2.012 1516 L HA -0.117 4.229 4.340 0.010 0.000 0.210 1516 L C 2.233 179.131 176.870 0.046 0.000 1.073 1516 L CA 2.383 57.260 54.840 0.063 0.000 0.748 1516 L CB -1.073 41.020 42.059 0.056 0.000 0.891 1516 L HN 0.123 nan 8.230 nan 0.000 0.431 1517 G N -0.908 107.914 108.800 0.037 0.000 2.440 1517 G HA2 -0.284 3.682 3.960 0.010 0.000 0.218 1517 G HA3 -0.284 3.682 3.960 0.010 0.000 0.218 1517 G C 1.692 176.607 174.900 0.024 0.000 1.154 1517 G CA 0.939 46.053 45.100 0.023 0.000 0.767 1517 G HN 0.441 nan 8.290 nan 0.000 0.552 1518 K N 0.565 120.983 120.400 0.030 0.000 2.057 1518 K HA -0.140 4.186 4.320 0.010 0.000 0.207 1518 K C 2.837 179.457 176.600 0.033 0.000 1.049 1518 K CA 1.593 57.896 56.287 0.028 0.000 0.931 1518 K CB -0.229 32.289 32.500 0.030 0.000 0.714 1518 K HN 0.625 nan 8.250 nan 0.000 0.440 1519 Q N 0.864 120.690 119.800 0.043 0.000 2.119 1519 Q HA -0.103 4.243 4.340 0.010 0.000 0.201 1519 Q C 2.038 178.067 176.000 0.047 0.000 0.972 1519 Q CA 1.117 56.947 55.803 0.046 0.000 0.847 1519 Q CB -0.394 28.376 28.738 0.052 0.000 0.903 1519 Q HN 0.263 nan 8.270 nan 0.000 0.433 1520 L N 0.639 121.890 121.223 0.046 0.000 2.201 1520 L HA -0.053 4.293 4.340 0.010 0.000 0.212 1520 L C 2.597 179.491 176.870 0.040 0.000 1.105 1520 L CA 0.750 55.622 54.840 0.054 0.000 0.775 1520 L CB -0.581 41.503 42.059 0.042 0.000 0.913 1520 L HN 0.343 nan 8.230 nan 0.000 0.440 1521 A N -0.227 122.608 122.820 0.025 0.000 1.929 1521 A HA -0.125 4.201 4.320 0.010 0.000 0.216 1521 A C 2.247 179.846 177.584 0.025 0.000 1.176 1521 A CA 1.066 53.112 52.037 0.016 0.000 0.628 1521 A CB -0.154 18.852 19.000 0.010 0.000 0.816 1521 A HN 0.141 nan 8.150 nan 0.000 0.444 1522 K N 0.425 120.844 120.400 0.032 0.000 2.211 1522 K HA -0.049 4.277 4.320 0.010 0.000 0.203 1522 K C 1.702 178.328 176.600 0.044 0.000 1.050 1522 K CA 1.320 57.627 56.287 0.033 0.000 0.945 1522 K CB -0.254 32.266 32.500 0.033 0.000 0.732 1522 K HN 0.544 nan 8.250 nan 0.000 0.451 1523 K N 0.301 120.737 120.400 0.060 0.000 2.116 1523 K HA 0.079 4.405 4.320 0.010 0.000 0.203 1523 K C 2.178 178.841 176.600 0.106 0.000 1.052 1523 K CA 0.748 57.085 56.287 0.084 0.000 0.952 1523 K CB 0.004 32.575 32.500 0.118 0.000 0.729 1523 K HN 0.027 nan 8.250 nan 0.000 0.446 1524 I N 0.827 121.452 120.570 0.092 0.000 2.500 1524 I HA -0.181 3.995 4.170 0.010 0.000 0.252 1524 I C 2.288 178.433 176.117 0.046 0.000 1.142 1524 I CA 0.784 62.128 61.300 0.072 0.000 1.451 1524 I CB -0.105 37.886 38.000 -0.016 0.000 1.093 1524 I HN 0.216 nan 8.210 nan 0.000 0.430 1525 E N 1.516 121.736 120.200 0.034 0.000 2.068 1525 E HA -0.252 4.103 4.350 0.010 0.000 0.207 1525 E C -0.632 175.984 176.600 0.027 0.000 1.032 1525 E CA 2.180 58.595 56.400 0.025 0.000 0.839 1525 E CB -0.743 28.970 29.700 0.022 0.000 0.758 1525 E HN 0.355 nan 8.360 nan 0.000 0.457 1526 P HA -0.103 nan 4.420 nan 0.000 0.229 1526 P C 0.349 177.668 177.300 0.032 0.000 1.160 1526 P CA 1.173 64.289 63.100 0.028 0.000 0.777 1526 P CB 0.037 31.754 31.700 0.027 0.000 0.814 1527 E N -0.212 120.016 120.200 0.047 0.000 2.358 1527 E HA 0.009 4.364 4.350 0.010 0.000 0.195 1527 E C 1.968 178.593 176.600 0.041 0.000 1.010 1527 E CA 0.358 56.790 56.400 0.054 0.000 0.856 1527 E CB -0.342 29.416 29.700 0.097 0.000 0.795 1527 E HN 0.308 nan 8.360 nan 0.000 0.504 1528 L N 0.820 122.061 121.223 0.031 0.000 2.240 1528 L HA -0.106 4.240 4.340 0.010 0.000 0.211 1528 L C 1.729 178.607 176.870 0.013 0.000 1.106 1528 L CA 0.405 55.257 54.840 0.020 0.000 0.793 1528 L CB -0.178 41.889 42.059 0.014 0.000 0.927 1528 L HN 0.034 nan 8.230 nan 0.000 0.446 1529 D N 0.827 121.235 120.400 0.014 0.000 2.106 1529 D HA -0.108 4.538 4.640 0.010 0.000 0.191 1529 D C 1.338 177.642 176.300 0.007 0.000 0.997 1529 D CA 1.302 55.308 54.000 0.010 0.000 0.834 1529 D CB -0.447 40.359 40.800 0.011 0.000 0.956 1529 D HN 0.281 nan 8.370 nan 0.000 0.448 1530 G N -0.538 108.269 108.800 0.010 0.000 2.699 1530 G HA2 0.113 4.079 3.960 0.010 0.000 0.246 1530 G HA3 0.113 4.079 3.960 0.010 0.000 0.246 1530 G C 0.796 175.699 174.900 0.005 0.000 1.219 1530 G CA 0.289 45.394 45.100 0.008 0.000 0.866 1530 G HN 0.207 nan 8.290 nan 0.000 0.572 1531 S N -1.177 114.525 115.700 0.003 0.000 2.502 1531 S HA 0.150 4.626 4.470 0.010 0.000 0.215 1531 S C 1.307 175.909 174.600 0.003 0.000 1.009 1531 S CA 0.183 58.382 58.200 -0.001 0.000 0.908 1531 S CB -0.155 63.043 63.200 -0.004 0.000 0.801 1531 S HN 0.545 nan 8.310 nan 0.000 0.505 1532 S N 4.351 120.055 115.700 0.007 0.000 2.562 1532 S HA 0.280 4.755 4.470 0.010 0.000 0.281 1532 S C -2.390 172.220 174.600 0.017 0.000 1.333 1532 S CA -0.783 57.424 58.200 0.011 0.000 1.052 1532 S CB 0.681 63.888 63.200 0.011 0.000 0.884 1532 S HN 0.488 nan 8.310 nan 0.000 0.506 1533 P HA 0.188 nan 4.420 nan 0.000 0.272 1533 P C -0.877 176.445 177.300 0.036 0.000 1.223 1533 P CA -0.353 62.764 63.100 0.029 0.000 0.784 1533 P CB 0.485 32.202 31.700 0.028 0.000 0.923 1534 V N 2.041 121.987 119.914 0.052 0.000 2.472 1534 V HA 0.352 4.478 4.120 0.010 0.000 0.290 1534 V C 1.326 177.463 176.094 0.071 0.000 1.037 1534 V CA 0.153 62.495 62.300 0.070 0.000 0.908 1534 V CB 1.199 33.091 31.823 0.114 0.000 0.985 1534 V HN 0.835 nan 8.190 nan 0.000 0.454 1535 T N -2.156 112.427 114.554 0.049 0.000 3.144 1535 T HA 0.018 4.374 4.350 0.010 0.000 0.290 1535 T C 1.207 175.909 174.700 0.003 0.000 0.966 1535 T CA 0.439 62.560 62.100 0.035 0.000 0.907 1535 T CB 0.129 69.008 68.868 0.018 0.000 1.152 1535 T HN 0.647 nan 8.240 nan 0.000 0.532 1536 S N 0.367 116.041 115.700 -0.043 0.000 2.603 1536 S HA 0.158 4.633 4.470 0.010 0.000 0.220 1536 S C 0.657 175.077 174.600 -0.299 0.000 0.967 1536 S CA -0.335 57.758 58.200 -0.179 0.000 0.920 1536 S CB -0.513 62.532 63.200 -0.259 0.000 0.773 1536 S HN 0.665 nan 8.310 nan 0.000 0.529 1537 H N 1.588 120.663 119.070 0.008 0.000 3.065 1537 H HA 0.387 4.949 4.556 0.010 0.000 0.279 1537 H C -0.544 174.787 175.328 0.005 0.000 1.594 1537 H CA -0.367 55.685 56.048 0.007 0.000 1.547 1537 H CB 0.119 29.886 29.762 0.008 0.000 1.771 1537 H HN 0.417 nan 8.280 nan 0.000 0.871 1538 D N -0.894 119.604 120.400 0.162 0.000 2.361 1538 D HA -0.029 4.617 4.640 0.010 0.000 0.239 1538 D C 1.204 177.545 176.300 0.069 0.000 1.200 1538 D CA 0.108 54.155 54.000 0.078 0.000 0.915 1538 D CB 0.707 41.540 40.800 0.054 0.000 1.170 1538 D HN 0.431 nan 8.370 nan 0.000 0.444 1539 S N 0.219 115.943 115.700 0.040 0.000 2.419 1539 S HA -0.275 4.201 4.470 0.010 0.000 0.235 1539 S C 1.920 176.534 174.600 0.024 0.000 1.019 1539 S CA 1.050 59.268 58.200 0.031 0.000 0.982 1539 S CB -0.697 62.513 63.200 0.018 0.000 0.789 1539 S HN 0.524 nan 8.310 nan 0.000 0.490 1540 S N 1.507 117.215 115.700 0.013 0.000 2.345 1540 S HA -0.109 4.367 4.470 0.010 0.000 0.219 1540 S C 2.000 176.596 174.600 -0.006 0.000 1.031 1540 S CA 1.796 59.994 58.200 -0.004 0.000 0.984 1540 S CB -1.303 61.889 63.200 -0.014 0.000 0.874 1540 S HN 0.666 nan 8.310 nan 0.000 0.451 1541 T N 2.556 117.105 114.554 -0.008 0.000 2.720 1541 T HA -0.106 4.249 4.350 0.010 0.000 0.268 1541 T C 1.644 176.333 174.700 -0.018 0.000 1.037 1541 T CA 1.818 63.886 62.100 -0.054 0.000 1.144 1541 T CB -0.771 68.021 68.868 -0.127 0.000 0.864 1541 T HN 0.578 nan 8.240 nan 0.000 0.444 1542 N N 0.469 119.198 118.700 0.049 0.000 2.043 1542 N HA -0.088 4.658 4.740 0.010 0.000 0.193 1542 N C 2.297 177.840 175.510 0.055 0.000 1.037 1542 N CA 0.947 54.042 53.050 0.075 0.000 0.851 1542 N CB -0.342 38.194 38.487 0.081 0.000 1.027 1542 N HN 0.416 nan 8.380 nan 0.000 0.422 1543 G N 1.510 110.335 108.800 0.042 0.000 2.418 1543 G HA2 -0.195 3.771 3.960 0.010 0.000 0.217 1543 G HA3 -0.195 3.771 3.960 0.010 0.000 0.217 1543 G C 1.539 176.481 174.900 0.070 0.000 1.158 1543 G CA 0.477 45.605 45.100 0.046 0.000 0.771 1543 G HN 0.122 nan 8.290 nan 0.000 0.545 1544 L N 0.039 121.287 121.223 0.041 0.000 2.017 1544 L HA -0.030 4.316 4.340 0.010 0.000 0.208 1544 L C 2.880 179.817 176.870 0.112 0.000 1.073 1544 L CA 0.778 55.657 54.840 0.064 0.000 0.745 1544 L CB -0.372 41.694 42.059 0.012 0.000 0.894 1544 L HN 0.188 nan 8.230 nan 0.000 0.432 1545 I N 0.066 120.672 120.570 0.060 0.000 2.163 1545 I HA -0.309 3.866 4.170 0.010 0.000 0.243 1545 I C 2.171 178.331 176.117 0.071 0.000 1.085 1545 I CA 1.227 62.558 61.300 0.052 0.000 1.347 1545 I CB -0.429 37.591 38.000 0.032 0.000 1.044 1545 I HN 0.380 nan 8.210 nan 0.000 0.408 1546 N N 0.607 119.358 118.700 0.085 0.000 2.244 1546 N HA -0.193 4.552 4.740 0.010 0.000 0.183 1546 N C 1.741 177.311 175.510 0.100 0.000 1.016 1546 N CA 1.179 54.276 53.050 0.078 0.000 0.866 1546 N CB -0.491 38.041 38.487 0.075 0.000 0.980 1546 N HN 0.287 nan 8.380 nan 0.000 0.430 1547 F N 1.871 121.821 119.950 -0.001 0.000 2.134 1547 F HA -0.003 4.523 4.527 -0.002 0.000 0.299 1547 F C 2.076 177.874 175.800 -0.003 0.000 1.097 1547 F CA 0.900 58.899 58.000 -0.002 0.000 1.264 1547 F CB -0.318 38.679 39.000 -0.005 0.000 1.001 1547 F HN -0.111 nan 8.300 nan 0.000 0.479 1548 I N 0.414 120.999 120.570 0.025 0.000 2.208 1548 I HA -0.339 3.837 4.170 0.010 0.000 0.245 1548 I C 2.338 178.387 176.117 -0.114 0.000 1.097 1548 I CA 1.575 62.835 61.300 -0.066 0.000 1.363 1548 I CB -0.518 37.499 38.000 0.029 0.000 1.051 1548 I HN 0.099 nan 8.210 nan 0.000 0.413 1549 K N 0.187 120.549 120.400 -0.062 0.000 2.148 1549 K HA -0.237 4.088 4.320 0.010 0.000 0.204 1549 K C 2.128 178.673 176.600 -0.091 0.000 1.050 1549 K CA 1.247 57.500 56.287 -0.056 0.000 0.942 1549 K CB -0.198 32.291 32.500 -0.020 0.000 0.724 1549 K HN 0.435 nan 8.250 nan 0.000 0.446 1550 Q N 0.726 120.447 119.800 -0.131 0.000 2.049 1550 Q HA -0.146 4.200 4.340 0.010 0.000 0.198 1550 Q C 1.814 177.686 176.000 -0.214 0.000 0.971 1550 Q CA 1.111 56.824 55.803 -0.149 0.000 0.833 1550 Q CB 0.264 28.919 28.738 -0.140 0.000 0.896 1550 Q HN 0.193 nan 8.270 nan 0.000 0.434 1551 Q N 0.239 119.817 119.800 -0.370 0.000 2.435 1551 Q HA -0.068 4.278 4.340 0.010 0.000 0.207 1551 Q C 1.806 177.682 176.000 -0.206 0.000 0.956 1551 Q CA 0.559 56.144 55.803 -0.363 0.000 0.917 1551 Q CB -0.076 28.270 28.738 -0.654 0.000 0.997 1551 Q HN 0.394 nan 8.270 nan 0.000 0.497 1552 R N 0.993 121.397 120.500 -0.160 0.000 2.096 1552 R HA -0.115 4.231 4.340 0.010 0.000 0.235 1552 R C 1.582 177.839 176.300 -0.071 0.000 1.127 1552 R CA 1.129 57.172 56.100 -0.094 0.000 0.968 1552 R CB 0.207 30.465 30.300 -0.069 0.000 0.861 1552 R HN 0.118 nan 8.270 nan 0.000 0.440 1553 E N 0.177 120.333 120.200 -0.074 0.000 2.385 1553 E HA 0.074 4.430 4.350 0.010 0.000 0.194 1553 E C -0.301 176.267 176.600 -0.052 0.000 1.013 1553 E CA 0.228 56.597 56.400 -0.053 0.000 0.866 1553 E CB 0.421 30.094 29.700 -0.046 0.000 0.832 1553 E HN 0.373 nan 8.360 nan 0.000 0.500 1554 A N 2.627 125.404 122.820 -0.071 0.000 2.566 1554 A HA -0.040 4.286 4.320 0.010 0.000 0.245 1554 A C 0.187 177.747 177.584 -0.041 0.000 1.056 1554 A CA 0.302 52.302 52.037 -0.061 0.000 0.757 1554 A CB -0.173 18.777 19.000 -0.084 0.000 0.979 1554 A HN 0.105 nan 8.150 nan 0.000 0.508 1555 K N 3.746 124.129 120.400 -0.028 0.000 2.156 1555 K HA 0.654 4.979 4.320 0.010 0.000 0.271 1555 K C -0.277 176.315 176.600 -0.014 0.000 0.995 1555 K CA -0.780 55.496 56.287 -0.018 0.000 0.890 1555 K CB 1.492 33.984 32.500 -0.014 0.000 1.073 1555 K HN 0.520 nan 8.250 nan 0.000 0.454 1556 I N 0.000 120.564 120.570 -0.009 0.000 2.984 1556 I HA 0.000 4.176 4.170 0.010 0.000 0.288 1556 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 1556 I CB 0.000 37.999 38.000 -0.002 0.000 1.214 1556 I HN 0.000 nan 8.210 nan 0.000 0.494