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 1ykj_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKTQVAIIGA GPSGLLLGQL LHKAGIDNVI LERQTPDYVL GRIRGGVLEQ DATA SEQUENCE GMVDLLREAG VDRRMARDGL VHEGVEIAFA GQRRRIDLKR LSGGKTVTVY DATA SEQUENCE GQTEVTRDLM EAREACGATT VYQAAEVRLH DLQGERPYVT FERDGERLRL DATA SEQUENCE DCDYIAGCDG FHGISRQSIP AERLKVFERV YPFGWLGLLA DTPPVSHELI DATA SEQUENCE YANHPRGFAL CSQRSATRSR YYVQVPLSEK VEDWSDERFW TELKARLPSE DATA SEQUENCE VAEKLVTGPS LEKSIAPLRS FVVEPMQHGR LFLAGDAAHI VPPTGAKGLN DATA SEQUENCE LAASDVSTLY RLLLKAYREG RGELLERYSA ICLRRIWKAE RFSWWMTSVL DATA SEQUENCE HRFPDTDAFS QRIQQTELEY YLGSEAGLAT IAENYVGLPY EEIE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.342 176.300 0.071 0.000 1.140 1001 M CA 0.000 55.340 55.300 0.067 0.000 0.988 1001 M CB 0.000 32.673 32.600 0.122 0.000 1.302 1002 K N 1.883 122.320 120.400 0.062 0.000 2.532 1002 K HA 0.852 5.172 4.320 0.000 0.000 0.265 1002 K C -1.795 174.838 176.600 0.054 0.000 0.948 1002 K CA -0.322 56.001 56.287 0.060 0.000 0.842 1002 K CB 2.812 35.337 32.500 0.041 0.000 1.392 1002 K HN 0.765 nan 8.250 nan 0.000 0.436 1003 T N 0.367 114.956 114.554 0.058 0.000 2.731 1003 T HA 0.206 4.556 4.350 0.000 0.000 0.300 1003 T C -0.231 174.502 174.700 0.056 0.000 1.283 1003 T CA -0.324 61.804 62.100 0.046 0.000 1.005 1003 T CB 1.806 70.701 68.868 0.044 0.000 1.420 1003 T HN 0.691 nan 8.240 nan 0.000 0.503 1004 Q N -0.261 119.560 119.800 0.036 0.000 2.107 1004 Q HA 0.299 4.639 4.340 0.000 0.000 0.195 1004 Q C -0.051 176.060 176.000 0.184 0.000 0.964 1004 Q CA 0.784 56.634 55.803 0.079 0.000 0.833 1004 Q CB 0.421 29.080 28.738 -0.132 0.000 0.910 1004 Q HN 0.381 nan 8.270 nan 0.000 0.465 1005 V N 1.217 121.206 119.914 0.125 0.000 2.378 1005 V HA 0.505 4.625 4.120 0.000 0.000 0.288 1005 V C -0.736 175.421 176.094 0.105 0.000 1.016 1005 V CA -0.788 61.616 62.300 0.174 0.000 0.840 1005 V CB 1.190 33.111 31.823 0.164 0.000 0.994 1005 V HN 0.195 nan 8.190 nan 0.000 0.431 1006 A N 6.645 129.532 122.820 0.111 0.000 2.328 1006 A HA 0.808 5.128 4.320 0.000 0.000 0.284 1006 A C -0.427 177.185 177.584 0.046 0.000 1.160 1006 A CA -0.244 51.830 52.037 0.061 0.000 0.818 1006 A CB 0.162 19.203 19.000 0.068 0.000 1.087 1006 A HN 0.794 nan 8.150 nan 0.000 0.504 1007 I N 3.963 124.535 120.570 0.002 0.000 2.389 1007 I HA 0.248 4.419 4.170 0.000 0.000 0.288 1007 I C -0.652 175.437 176.117 -0.047 0.000 0.999 1007 I CA -0.542 60.754 61.300 -0.007 0.000 1.129 1007 I CB 1.502 39.495 38.000 -0.012 0.000 1.288 1007 I HN 0.417 nan 8.210 nan 0.000 0.444 1008 I N 5.565 126.115 120.570 -0.033 0.000 2.312 1008 I HA 0.563 4.733 4.170 0.000 0.000 0.291 1008 I C 0.684 176.770 176.117 -0.052 0.000 1.031 1008 I CA -0.189 61.076 61.300 -0.058 0.000 1.293 1008 I CB 0.088 38.063 38.000 -0.043 0.000 1.403 1008 I HN 0.820 nan 8.210 nan 0.000 0.484 1009 G N 4.648 113.401 108.800 -0.077 0.000 3.226 1009 G HA2 0.214 4.174 3.960 0.000 0.000 0.685 1009 G HA3 0.214 4.174 3.960 0.000 0.000 0.685 1009 G C -0.443 174.420 174.900 -0.062 0.000 1.207 1009 G CA -0.371 44.696 45.100 -0.055 0.000 0.877 1009 G HN 0.934 nan 8.290 nan 0.000 0.585 1010 A N 1.375 124.162 122.820 -0.055 0.000 2.793 1010 A HA 0.799 5.119 4.320 0.000 0.000 0.301 1010 A C 1.237 178.844 177.584 0.038 0.000 1.172 1010 A CA 1.059 53.071 52.037 -0.041 0.000 0.973 1010 A CB -0.121 18.803 19.000 -0.127 0.000 1.164 1010 A HN 2.079 nan 8.150 nan 0.000 0.542 1011 G N -0.117 108.702 108.800 0.032 0.000 2.532 1011 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 1011 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 1011 G C -1.279 173.645 174.900 0.040 0.000 1.349 1011 G CA -1.189 43.941 45.100 0.050 0.000 1.038 1011 G HN 0.086 nan 8.290 nan 0.000 0.518 1012 P HA -0.105 nan 4.420 nan 0.000 0.216 1012 P C 2.150 179.471 177.300 0.035 0.000 1.153 1012 P CA 1.683 64.805 63.100 0.038 0.000 0.858 1012 P CB 0.099 31.823 31.700 0.041 0.000 0.789 1013 S N -0.317 115.403 115.700 0.033 0.000 2.354 1013 S HA -0.140 4.330 4.470 0.000 0.000 0.219 1013 S C 2.269 176.885 174.600 0.028 0.000 1.035 1013 S CA 1.840 60.061 58.200 0.035 0.000 1.037 1013 S CB -1.622 61.597 63.200 0.032 0.000 0.956 1013 S HN 0.307 nan 8.310 nan 0.000 0.428 1014 G N 1.369 110.179 108.800 0.017 0.000 2.440 1014 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 1014 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 1014 G C 1.392 176.293 174.900 0.002 0.000 1.154 1014 G CA 0.790 45.893 45.100 0.005 0.000 0.767 1014 G HN 0.414 nan 8.290 nan 0.000 0.552 1015 L N -0.394 120.833 121.223 0.007 0.000 2.017 1015 L HA -0.050 4.290 4.340 0.000 0.000 0.208 1015 L C 2.698 179.569 176.870 0.001 0.000 1.073 1015 L CA 0.707 55.550 54.840 0.006 0.000 0.745 1015 L CB -0.461 41.611 42.059 0.022 0.000 0.894 1015 L HN 0.247 nan 8.230 nan 0.000 0.432 1016 L N -0.215 121.013 121.223 0.008 0.000 2.046 1016 L HA -0.208 4.132 4.340 0.000 0.000 0.208 1016 L C 2.301 179.159 176.870 -0.021 0.000 1.077 1016 L CA 1.647 56.485 54.840 -0.003 0.000 0.747 1016 L CB -0.572 41.496 42.059 0.014 0.000 0.896 1016 L HN 0.148 nan 8.230 nan 0.000 0.432 1017 L N -0.174 121.050 121.223 0.001 0.000 2.046 1017 L HA 0.019 4.359 4.340 0.000 0.000 0.208 1017 L C 2.306 179.181 176.870 0.009 0.000 1.077 1017 L CA 2.079 56.925 54.840 0.010 0.000 0.747 1017 L CB -1.414 40.667 42.059 0.036 0.000 0.896 1017 L HN 0.294 nan 8.230 nan 0.000 0.432 1018 G N -1.493 107.313 108.800 0.009 0.000 2.422 1018 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 1018 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 1018 G C 1.501 176.416 174.900 0.026 0.000 1.146 1018 G CA 0.789 45.900 45.100 0.018 0.000 0.769 1018 G HN 0.447 nan 8.290 nan 0.000 0.547 1019 Q N 0.093 119.888 119.800 -0.008 0.000 2.046 1019 Q HA 0.095 4.435 4.340 0.000 0.000 0.200 1019 Q C 2.542 178.534 176.000 -0.012 0.000 0.975 1019 Q CA 1.078 56.873 55.803 -0.012 0.000 0.836 1019 Q CB -0.422 28.294 28.738 -0.036 0.000 0.896 1019 Q HN 0.495 nan 8.270 nan 0.000 0.428 1020 L N -0.488 120.657 121.223 -0.130 0.000 2.141 1020 L HA -0.134 4.206 4.340 0.000 0.000 0.209 1020 L C 2.192 178.971 176.870 -0.152 0.000 1.094 1020 L CA 0.687 55.315 54.840 -0.354 0.000 0.763 1020 L CB -0.338 41.215 42.059 -0.843 0.000 0.908 1020 L HN 0.248 nan 8.230 nan 0.000 0.437 1021 L N -1.131 120.115 121.223 0.038 0.000 2.056 1021 L HA -0.227 4.113 4.340 0.000 0.000 0.207 1021 L C 2.647 179.580 176.870 0.105 0.000 1.078 1021 L CA 1.155 56.096 54.840 0.168 0.000 0.749 1021 L CB -0.611 41.521 42.059 0.121 0.000 0.901 1021 L HN 0.340 nan 8.230 nan 0.000 0.433 1022 H N 0.725 119.797 119.070 0.003 0.000 2.267 1022 H HA -0.186 4.370 4.556 0.000 0.000 0.297 1022 H C 2.192 177.522 175.328 0.004 0.000 1.080 1022 H CA 1.785 57.830 56.048 -0.005 0.000 1.278 1022 H CB 0.100 29.855 29.762 -0.012 0.000 1.365 1022 H HN -0.004 nan 8.280 nan 0.000 0.489 1023 K N -0.274 120.167 120.400 0.067 0.000 2.360 1023 K HA -0.067 4.254 4.320 0.000 0.000 0.201 1023 K C 1.551 178.145 176.600 -0.009 0.000 1.046 1023 K CA 0.825 57.118 56.287 0.010 0.000 0.940 1023 K CB 0.002 32.535 32.500 0.055 0.000 0.748 1023 K HN 0.455 nan 8.250 nan 0.000 0.465 1024 A N -0.201 122.647 122.820 0.047 0.000 2.387 1024 A HA 0.300 4.620 4.320 0.000 0.000 0.234 1024 A C 1.155 178.734 177.584 -0.008 0.000 1.253 1024 A CA 0.600 52.688 52.037 0.084 0.000 0.894 1024 A CB 0.152 19.306 19.000 0.257 0.000 0.963 1024 A HN 0.341 nan 8.150 nan 0.000 0.508 1025 G N -0.501 108.245 108.800 -0.090 0.000 2.159 1025 G HA2 -0.214 3.747 3.960 0.000 0.000 0.256 1025 G HA3 -0.214 3.747 3.960 0.000 0.000 0.256 1025 G C 0.079 174.904 174.900 -0.126 0.000 0.977 1025 G CA 0.293 45.320 45.100 -0.122 0.000 0.652 1025 G HN 0.484 nan 8.290 nan 0.000 0.531 1026 I N 1.953 122.453 120.570 -0.118 0.000 2.325 1026 I HA 0.228 4.399 4.170 0.000 0.000 0.291 1026 I C -0.262 175.770 176.117 -0.141 0.000 1.019 1026 I CA -0.895 60.284 61.300 -0.202 0.000 1.302 1026 I CB 0.822 38.674 38.000 -0.247 0.000 1.401 1026 I HN -0.032 nan 8.210 nan 0.000 0.485 1027 D N 6.207 126.516 120.400 -0.153 0.000 2.455 1027 D HA 0.123 4.763 4.640 0.000 0.000 0.241 1027 D C -0.340 175.939 176.300 -0.035 0.000 1.138 1027 D CA 0.502 54.464 54.000 -0.064 0.000 0.877 1027 D CB 0.642 41.413 40.800 -0.049 0.000 1.187 1027 D HN 0.663 nan 8.370 nan 0.000 0.451 1028 N N -1.090 117.616 118.700 0.010 0.000 2.405 1028 N HA 0.504 5.244 4.740 0.000 0.000 0.274 1028 N C -1.920 173.599 175.510 0.015 0.000 1.170 1028 N CA -0.915 52.148 53.050 0.022 0.000 0.848 1028 N CB 1.445 39.950 38.487 0.030 0.000 1.629 1028 N HN 0.046 nan 8.380 nan 0.000 0.481 1029 V N 1.754 121.669 119.914 0.002 0.000 2.531 1029 V HA 0.469 4.589 4.120 0.000 0.000 0.301 1029 V C -0.380 175.671 176.094 -0.072 0.000 1.034 1029 V CA -0.617 61.664 62.300 -0.032 0.000 0.865 1029 V CB 1.291 33.099 31.823 -0.026 0.000 0.995 1029 V HN 0.705 nan 8.190 nan 0.000 0.424 1030 I N 5.731 126.235 120.570 -0.110 0.000 2.331 1030 I HA 0.425 4.596 4.170 0.000 0.000 0.292 1030 I C -0.553 175.411 176.117 -0.255 0.000 0.998 1030 I CA -0.341 60.866 61.300 -0.154 0.000 1.267 1030 I CB 1.308 39.216 38.000 -0.153 0.000 1.386 1030 I HN 0.344 nan 8.210 nan 0.000 0.476 1031 L N 6.122 127.180 121.223 -0.275 0.000 2.296 1031 L HA 0.521 4.861 4.340 0.000 0.000 0.286 1031 L C -0.438 176.249 176.870 -0.305 0.000 1.023 1031 L CA -0.512 54.102 54.840 -0.378 0.000 0.812 1031 L CB 1.597 43.378 42.059 -0.465 0.000 1.223 1031 L HN 0.512 nan 8.230 nan 0.000 0.421 1032 E N 2.305 122.304 120.200 -0.335 0.000 2.246 1032 E HA 0.259 4.609 4.350 0.000 0.000 0.266 1032 E C 0.415 176.950 176.600 -0.108 0.000 0.880 1032 E CA -0.606 55.652 56.400 -0.236 0.000 0.762 1032 E CB 1.679 31.156 29.700 -0.372 0.000 1.180 1032 E HN 0.446 nan 8.360 nan 0.000 0.416 1033 R N 2.718 123.181 120.500 -0.061 0.000 2.096 1033 R HA -0.076 4.264 4.340 0.000 0.000 0.235 1033 R C 0.384 176.670 176.300 -0.023 0.000 1.127 1033 R CA 1.303 57.381 56.100 -0.037 0.000 0.968 1033 R CB 0.203 30.471 30.300 -0.053 0.000 0.861 1033 R HN 0.536 nan 8.270 nan 0.000 0.440 1034 Q N 0.146 119.946 119.800 -0.000 0.000 2.162 1034 Q HA 0.157 4.498 4.340 0.000 0.000 0.197 1034 Q C -0.076 176.043 176.000 0.198 0.000 1.013 1034 Q CA 0.044 55.847 55.803 0.001 0.000 1.040 1034 Q CB 1.182 29.899 28.738 -0.035 0.000 1.114 1034 Q HN 0.262 nan 8.270 nan 0.000 0.547 1035 T N -3.366 111.289 114.554 0.169 0.000 2.943 1035 T HA 0.340 4.690 4.350 0.000 0.000 0.284 1035 T C -2.016 172.688 174.700 0.007 0.000 1.015 1035 T CA -1.922 60.242 62.100 0.105 0.000 1.042 1035 T CB 1.222 70.118 68.868 0.047 0.000 1.055 1035 T HN 0.099 nan 8.240 nan 0.000 0.500 1036 P HA -0.133 nan 4.420 nan 0.000 0.215 1036 P C 0.817 178.051 177.300 -0.110 0.000 1.163 1036 P CA 1.401 64.242 63.100 -0.432 0.000 0.894 1036 P CB -0.144 31.188 31.700 -0.614 0.000 0.791 1037 D N -2.123 118.227 120.400 -0.082 0.000 2.133 1037 D HA -0.239 4.401 4.640 0.000 0.000 0.192 1037 D C 1.878 178.187 176.300 0.016 0.000 1.001 1037 D CA 1.241 55.224 54.000 -0.028 0.000 0.844 1037 D CB -1.110 39.683 40.800 -0.012 0.000 0.944 1037 D HN 0.230 nan 8.370 nan 0.000 0.447 1038 Y N 1.250 121.537 120.300 -0.022 0.000 2.089 1038 Y HA -0.242 4.308 4.550 0.000 0.000 0.282 1038 Y C 2.309 178.219 175.900 0.017 0.000 1.139 1038 Y CA 1.139 59.242 58.100 0.005 0.000 1.123 1038 Y CB -0.530 37.944 38.460 0.024 0.000 0.980 1038 Y HN -0.169 nan 8.280 nan 0.000 0.493 1039 V N 0.018 120.091 119.914 0.267 0.000 2.278 1039 V HA -0.345 3.775 4.120 0.000 0.000 0.251 1039 V C 2.268 178.389 176.094 0.044 0.000 1.062 1039 V CA 1.955 64.367 62.300 0.187 0.000 1.038 1039 V CB -0.879 31.067 31.823 0.205 0.000 0.646 1039 V HN 0.360 nan 8.190 nan 0.000 0.447 1040 L N 0.882 122.109 121.223 0.006 0.000 2.465 1040 L HA 0.050 4.390 4.340 0.000 0.000 0.224 1040 L C 2.275 179.099 176.870 -0.076 0.000 1.145 1040 L CA 1.769 56.589 54.840 -0.033 0.000 0.834 1040 L CB -1.296 40.740 42.059 -0.037 0.000 0.944 1040 L HN 0.349 nan 8.230 nan 0.000 0.451 1041 G N -1.115 107.604 108.800 -0.136 0.000 2.650 1041 G HA2 -0.094 3.866 3.960 0.000 0.000 0.214 1041 G HA3 -0.094 3.866 3.960 0.000 0.000 0.214 1041 G C 0.877 175.677 174.900 -0.168 0.000 1.136 1041 G CA -0.308 44.679 45.100 -0.188 0.000 0.789 1041 G HN 0.252 nan 8.290 nan 0.000 0.536 1042 R N 0.493 120.916 120.500 -0.127 0.000 2.347 1042 R HA 0.245 4.585 4.340 0.000 0.000 0.304 1042 R C 0.621 176.896 176.300 -0.042 0.000 1.072 1042 R CA -0.588 55.470 56.100 -0.070 0.000 0.980 1042 R CB 1.098 31.389 30.300 -0.015 0.000 0.986 1042 R HN 0.024 nan 8.270 nan 0.000 0.448 1043 I N 1.924 122.477 120.570 -0.029 0.000 2.512 1043 I HA -0.036 4.134 4.170 0.000 0.000 0.247 1043 I C 1.475 177.605 176.117 0.022 0.000 1.094 1043 I CA 0.799 62.088 61.300 -0.019 0.000 1.427 1043 I CB -0.634 37.349 38.000 -0.028 0.000 1.149 1043 I HN 0.646 nan 8.210 nan 0.000 0.438 1044 R N -0.045 120.494 120.500 0.066 0.000 3.815 1044 R HA -0.213 4.128 4.340 0.000 0.000 0.470 1044 R C 0.725 177.123 176.300 0.163 0.000 0.241 1044 R CA 1.360 57.524 56.100 0.106 0.000 1.481 1044 R CB -2.255 28.081 30.300 0.059 0.000 0.988 1044 R HN 0.414 nan 8.270 nan 0.000 0.570 1045 G N -1.977 106.898 108.800 0.125 0.000 2.642 1045 G HA2 0.531 4.491 3.960 0.000 0.000 0.291 1045 G HA3 0.531 4.491 3.960 0.000 0.000 0.291 1045 G C 0.410 175.368 174.900 0.096 0.000 1.345 1045 G CA 0.252 45.443 45.100 0.153 0.000 1.043 1045 G HN 0.747 nan 8.290 nan 0.000 0.528 1046 G N -1.849 107.017 108.800 0.110 0.000 4.162 1046 G HA2 0.371 4.331 3.960 0.000 0.000 0.252 1046 G HA3 0.371 4.331 3.960 0.000 0.000 0.252 1046 G C -0.519 174.435 174.900 0.090 0.000 1.064 1046 G CA 0.090 45.234 45.100 0.073 0.000 0.850 1046 G HN 0.609 nan 8.290 nan 0.000 0.454 1047 V N 2.338 122.317 119.914 0.109 0.000 2.394 1047 V HA 0.538 4.658 4.120 0.000 0.000 0.282 1047 V C -0.188 175.950 176.094 0.072 0.000 1.031 1047 V CA -0.457 61.904 62.300 0.102 0.000 0.881 1047 V CB 1.506 33.419 31.823 0.149 0.000 0.982 1047 V HN 0.151 nan 8.190 nan 0.000 0.451 1048 L N 4.775 126.039 121.223 0.069 0.000 2.341 1048 L HA 0.586 4.926 4.340 0.000 0.000 0.278 1048 L C 0.185 177.079 176.870 0.040 0.000 1.005 1048 L CA -0.584 54.294 54.840 0.063 0.000 0.818 1048 L CB 2.081 44.193 42.059 0.088 0.000 1.259 1048 L HN 0.611 nan 8.230 nan 0.000 0.418 1049 E N 0.905 121.126 120.200 0.035 0.000 2.314 1049 E HA 0.060 4.410 4.350 0.000 0.000 0.262 1049 E C 0.072 176.690 176.600 0.030 0.000 1.093 1049 E CA -0.512 55.904 56.400 0.027 0.000 0.908 1049 E CB 1.222 30.945 29.700 0.037 0.000 1.091 1049 E HN 0.403 nan 8.360 nan 0.000 0.425 1050 Q N 1.196 121.001 119.800 0.008 0.000 2.124 1050 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 1050 Q C 1.834 177.798 176.000 -0.060 0.000 0.977 1050 Q CA 2.140 57.929 55.803 -0.023 0.000 0.850 1050 Q CB -0.620 28.096 28.738 -0.037 0.000 0.901 1050 Q HN 0.792 nan 8.270 nan 0.000 0.429 1051 G N 0.294 109.041 108.800 -0.087 0.000 2.442 1051 G HA2 -0.302 3.658 3.960 0.000 0.000 0.219 1051 G HA3 -0.302 3.658 3.960 0.000 0.000 0.219 1051 G C 1.428 176.323 174.900 -0.007 0.000 1.141 1051 G CA 1.116 46.068 45.100 -0.248 0.000 0.763 1051 G HN 0.486 nan 8.290 nan 0.000 0.554 1052 M N 0.428 120.087 119.600 0.100 0.000 2.099 1052 M HA 0.047 4.527 4.480 0.000 0.000 0.262 1052 M C 2.442 178.773 176.300 0.052 0.000 1.067 1052 M CA 1.338 56.704 55.300 0.111 0.000 1.124 1052 M CB -0.308 32.356 32.600 0.107 0.000 1.353 1052 M HN -0.022 nan 8.290 nan 0.000 0.410 1053 V N 1.218 121.145 119.914 0.023 0.000 2.332 1053 V HA -0.312 3.808 4.120 0.000 0.000 0.248 1053 V C 1.942 178.024 176.094 -0.019 0.000 1.055 1053 V CA 2.275 64.573 62.300 -0.003 0.000 1.038 1053 V CB -1.136 30.674 31.823 -0.020 0.000 0.651 1053 V HN 0.507 nan 8.190 nan 0.000 0.450 1054 D N -0.418 119.960 120.400 -0.036 0.000 2.144 1054 D HA -0.127 4.513 4.640 0.000 0.000 0.200 1054 D C 1.960 178.243 176.300 -0.028 0.000 0.978 1054 D CA 0.967 54.939 54.000 -0.046 0.000 0.833 1054 D CB -0.151 40.599 40.800 -0.083 0.000 0.961 1054 D HN 0.354 nan 8.370 nan 0.000 0.470 1055 L N 0.333 121.552 121.223 -0.007 0.000 2.093 1055 L HA -0.096 4.244 4.340 0.000 0.000 0.208 1055 L C 2.009 178.876 176.870 -0.005 0.000 1.085 1055 L CA 0.935 55.781 54.840 0.010 0.000 0.755 1055 L CB -0.265 41.833 42.059 0.065 0.000 0.904 1055 L HN -0.063 nan 8.230 nan 0.000 0.435 1056 L N -0.472 120.755 121.223 0.007 0.000 2.083 1056 L HA -0.159 4.181 4.340 0.000 0.000 0.209 1056 L C 2.702 179.566 176.870 -0.010 0.000 1.083 1056 L CA 1.598 56.442 54.840 0.006 0.000 0.752 1056 L CB -0.919 41.155 42.059 0.024 0.000 0.899 1056 L HN 0.308 nan 8.230 nan 0.000 0.433 1057 R N -0.361 120.128 120.500 -0.018 0.000 2.057 1057 R HA -0.174 4.166 4.340 0.000 0.000 0.229 1057 R C 2.226 178.513 176.300 -0.022 0.000 1.136 1057 R CA 1.506 57.592 56.100 -0.022 0.000 0.952 1057 R CB -0.251 30.032 30.300 -0.027 0.000 0.848 1057 R HN 0.396 nan 8.270 nan 0.000 0.430 1058 E N -0.118 120.066 120.200 -0.025 0.000 2.209 1058 E HA -0.186 4.164 4.350 0.000 0.000 0.196 1058 E C 1.231 177.801 176.600 -0.050 0.000 0.993 1058 E CA 1.180 57.561 56.400 -0.031 0.000 0.819 1058 E CB -0.037 29.643 29.700 -0.032 0.000 0.745 1058 E HN 0.503 nan 8.360 nan 0.000 0.477 1059 A N -0.041 122.747 122.820 -0.053 0.000 2.238 1059 A HA 0.215 4.535 4.320 0.000 0.000 0.208 1059 A C 1.583 179.152 177.584 -0.025 0.000 1.177 1059 A CA 0.872 52.874 52.037 -0.059 0.000 0.804 1059 A CB -0.357 18.611 19.000 -0.054 0.000 0.823 1059 A HN 0.420 nan 8.150 nan 0.000 0.482 1060 G N -1.668 107.122 108.800 -0.016 0.000 2.176 1060 G HA2 -0.177 3.783 3.960 0.000 0.000 0.252 1060 G HA3 -0.177 3.783 3.960 0.000 0.000 0.252 1060 G C 0.150 175.049 174.900 -0.003 0.000 1.024 1060 G CA 0.284 45.382 45.100 -0.004 0.000 0.755 1060 G HN 1.012 nan 8.290 nan 0.000 0.507 1061 V N 0.922 120.833 119.914 -0.004 0.000 2.562 1061 V HA 0.354 4.474 4.120 0.000 0.000 0.274 1061 V C 0.621 176.718 176.094 0.004 0.000 1.075 1061 V CA 0.269 62.573 62.300 0.006 0.000 1.204 1061 V CB 0.892 32.725 31.823 0.016 0.000 1.478 1061 V HN 0.532 nan 8.190 nan 0.000 0.622 1062 D N 0.200 120.591 120.400 -0.015 0.000 2.502 1062 D HA 0.011 4.651 4.640 0.000 0.000 0.232 1062 D C 1.592 177.855 176.300 -0.062 0.000 1.137 1062 D CA -0.291 53.683 54.000 -0.043 0.000 0.827 1062 D CB 0.492 41.265 40.800 -0.046 0.000 1.141 1062 D HN 0.281 nan 8.370 nan 0.000 0.517 1063 R N 1.267 121.745 120.500 -0.036 0.000 2.097 1063 R HA -0.145 4.195 4.340 0.000 0.000 0.236 1063 R C 2.522 178.792 176.300 -0.050 0.000 1.135 1063 R CA 1.841 57.920 56.100 -0.036 0.000 0.934 1063 R CB -0.144 30.147 30.300 -0.015 0.000 0.846 1063 R HN 0.073 nan 8.270 nan 0.000 0.431 1064 R N 0.252 120.733 120.500 -0.031 0.000 2.081 1064 R HA -0.145 4.196 4.340 0.000 0.000 0.235 1064 R C 2.392 178.612 176.300 -0.134 0.000 1.131 1064 R CA 1.894 57.983 56.100 -0.018 0.000 0.960 1064 R CB -0.275 30.062 30.300 0.062 0.000 0.856 1064 R HN 0.325 nan 8.270 nan 0.000 0.436 1065 M N -0.081 119.339 119.600 -0.300 0.000 2.279 1065 M HA -0.090 4.390 4.480 0.000 0.000 0.264 1065 M C 1.918 177.915 176.300 -0.505 0.000 1.062 1065 M CA 1.792 56.575 55.300 -0.861 0.000 1.099 1065 M CB -0.039 32.081 32.600 -0.801 0.000 1.394 1065 M HN 0.294 nan 8.290 nan 0.000 0.426 1066 A N 0.786 123.454 122.820 -0.253 0.000 1.898 1066 A HA -0.190 4.130 4.320 0.000 0.000 0.216 1066 A C 2.207 179.723 177.584 -0.113 0.000 1.181 1066 A CA 1.767 53.713 52.037 -0.151 0.000 0.620 1066 A CB -0.688 18.256 19.000 -0.092 0.000 0.819 1066 A HN 0.646 nan 8.150 nan 0.000 0.442 1067 R N -0.726 119.718 120.500 -0.094 0.000 2.090 1067 R HA -0.100 4.240 4.340 0.000 0.000 0.228 1067 R C 0.440 176.722 176.300 -0.030 0.000 1.110 1067 R CA 1.708 57.781 56.100 -0.045 0.000 0.973 1067 R CB -0.071 30.217 30.300 -0.020 0.000 0.869 1067 R HN 0.379 nan 8.270 nan 0.000 0.440 1068 D N -0.695 119.674 120.400 -0.052 0.000 2.379 1068 D HA 0.121 4.761 4.640 0.000 0.000 0.208 1068 D C 0.194 176.526 176.300 0.054 0.000 1.065 1068 D CA 0.356 54.381 54.000 0.042 0.000 0.848 1068 D CB 0.722 41.635 40.800 0.188 0.000 0.949 1068 D HN 0.289 nan 8.370 nan 0.000 0.509 1069 G N 0.738 109.459 108.800 -0.132 0.000 2.390 1069 G HA2 0.424 4.384 3.960 0.000 0.000 0.270 1069 G HA3 0.424 4.384 3.960 0.000 0.000 0.270 1069 G C -0.420 174.487 174.900 0.011 0.000 1.211 1069 G CA -0.389 44.676 45.100 -0.059 0.000 0.842 1069 G HN -0.057 nan 8.290 nan 0.000 0.519 1070 L N 2.489 123.744 121.223 0.053 0.000 2.281 1070 L HA 0.278 4.618 4.340 0.000 0.000 0.285 1070 L C 0.386 177.262 176.870 0.010 0.000 1.074 1070 L CA -0.504 54.379 54.840 0.071 0.000 0.817 1070 L CB 1.404 43.539 42.059 0.126 0.000 1.168 1070 L HN 0.165 nan 8.230 nan 0.000 0.434 1071 V N 4.079 124.052 119.914 0.098 0.000 2.407 1071 V HA 0.295 4.415 4.120 0.000 0.000 0.278 1071 V C 0.019 176.286 176.094 0.289 0.000 1.037 1071 V CA -0.478 61.883 62.300 0.103 0.000 0.900 1071 V CB 0.648 32.514 31.823 0.073 0.000 0.983 1071 V HN 0.674 nan 8.190 nan 0.000 0.459 1072 H N 3.486 122.611 119.070 0.091 0.000 2.457 1072 H HA 0.342 4.898 4.556 0.000 0.000 0.335 1072 H C 0.264 175.645 175.328 0.087 0.000 1.115 1072 H CA -0.675 55.430 56.048 0.094 0.000 1.219 1072 H CB 2.274 32.109 29.762 0.121 0.000 1.471 1072 H HN 0.640 nan 8.280 nan 0.000 0.491 1073 E N 2.042 122.346 120.200 0.174 0.000 2.442 1073 E HA 0.096 4.446 4.350 0.000 0.000 0.195 1073 E C 0.658 177.317 176.600 0.100 0.000 1.030 1073 E CA -0.080 56.385 56.400 0.109 0.000 0.869 1073 E CB 0.707 30.443 29.700 0.061 0.000 0.857 1073 E HN 0.713 nan 8.360 nan 0.000 0.505 1074 G N -0.010 108.856 108.800 0.110 0.000 2.708 1074 G HA2 0.518 4.478 3.960 0.000 0.000 0.289 1074 G HA3 0.518 4.478 3.960 0.000 0.000 0.289 1074 G C -1.719 173.245 174.900 0.107 0.000 1.416 1074 G CA -0.405 44.744 45.100 0.082 0.000 0.829 1074 G HN -0.002 nan 8.290 nan 0.000 0.480 1075 V N -0.814 119.134 119.914 0.055 0.000 3.049 1075 V HA 0.738 4.858 4.120 0.000 0.000 0.309 1075 V C -1.260 174.870 176.094 0.060 0.000 1.148 1075 V CA -0.731 61.600 62.300 0.052 0.000 0.990 1075 V CB 2.314 34.041 31.823 -0.160 0.000 1.039 1075 V HN 0.851 nan 8.190 nan 0.000 0.430 1076 E N 3.849 124.119 120.200 0.117 0.000 2.266 1076 E HA 0.627 4.977 4.350 0.000 0.000 0.268 1076 E C -1.459 175.249 176.600 0.179 0.000 0.879 1076 E CA -0.638 55.832 56.400 0.116 0.000 0.762 1076 E CB 2.685 32.437 29.700 0.087 0.000 1.199 1076 E HN 0.538 nan 8.360 nan 0.000 0.422 1077 I N 1.886 122.554 120.570 0.163 0.000 2.466 1077 I HA 0.472 4.642 4.170 0.000 0.000 0.289 1077 I C -0.708 175.549 176.117 0.232 0.000 1.026 1077 I CA -0.720 60.700 61.300 0.201 0.000 1.078 1077 I CB 1.869 39.959 38.000 0.151 0.000 1.249 1077 I HN 0.479 nan 8.210 nan 0.000 0.429 1078 A N 7.287 130.230 122.820 0.206 0.000 2.304 1078 A HA 0.907 5.227 4.320 0.000 0.000 0.323 1078 A C -0.936 176.819 177.584 0.285 0.000 1.195 1078 A CA -0.335 51.810 52.037 0.180 0.000 0.826 1078 A CB 0.639 19.682 19.000 0.072 0.000 1.184 1078 A HN 0.672 nan 8.150 nan 0.000 0.496 1079 F N -0.701 119.260 119.950 0.018 0.000 2.654 1079 F HA 0.631 5.158 4.527 0.000 0.000 0.308 1079 F C 0.444 176.243 175.800 -0.003 0.000 1.108 1079 F CA -0.454 57.549 58.000 0.005 0.000 0.957 1079 F CB 1.370 40.372 39.000 0.004 0.000 1.309 1079 F HN 1.597 nan 8.300 nan 0.000 0.446 1080 A N 1.422 124.193 122.820 -0.082 0.000 2.596 1080 A HA 0.209 4.529 4.320 0.000 0.000 0.300 1080 A C 1.335 178.782 177.584 -0.228 0.000 1.495 1080 A CA 1.367 53.291 52.037 -0.189 0.000 0.769 1080 A CB -2.390 16.455 19.000 -0.259 0.000 1.047 1080 A HN 2.959 nan 8.150 nan 0.000 0.436 1081 G N -1.017 107.705 108.800 -0.129 0.000 2.352 1081 G HA2 0.114 4.074 3.960 0.000 0.000 0.283 1081 G HA3 0.114 4.074 3.960 0.000 0.000 0.283 1081 G C -0.151 174.660 174.900 -0.147 0.000 0.946 1081 G CA 1.329 46.374 45.100 -0.091 0.000 1.317 1081 G HN 2.661 nan 8.290 nan 0.000 0.478 1082 Q N -1.106 118.585 119.800 -0.181 0.000 2.429 1082 Q HA 0.502 4.842 4.340 0.000 0.000 0.247 1082 Q C -0.475 175.463 176.000 -0.104 0.000 0.915 1082 Q CA -1.135 54.560 55.803 -0.179 0.000 0.971 1082 Q CB 1.163 29.723 28.738 -0.298 0.000 1.468 1082 Q HN 0.339 nan 8.270 nan 0.000 0.439 1083 R N 1.880 122.362 120.500 -0.030 0.000 2.390 1083 R HA 0.511 4.851 4.340 0.000 0.000 0.291 1083 R C -0.479 175.852 176.300 0.052 0.000 1.070 1083 R CA -0.508 55.611 56.100 0.031 0.000 1.014 1083 R CB 0.818 31.132 30.300 0.024 0.000 1.007 1083 R HN 0.411 nan 8.270 nan 0.000 0.466 1084 R N 2.464 123.031 120.500 0.112 0.000 2.480 1084 R HA 0.301 4.641 4.340 0.000 0.000 0.306 1084 R C -0.442 175.917 176.300 0.098 0.000 0.958 1084 R CA -0.847 55.325 56.100 0.119 0.000 0.861 1084 R CB 1.892 32.319 30.300 0.212 0.000 1.171 1084 R HN 0.519 nan 8.270 nan 0.000 0.445 1085 R N 3.185 123.725 120.500 0.067 0.000 2.404 1085 R HA 0.451 4.791 4.340 0.000 0.000 0.291 1085 R C -0.412 175.917 176.300 0.048 0.000 1.025 1085 R CA -0.462 55.670 56.100 0.053 0.000 0.991 1085 R CB 0.780 31.102 30.300 0.036 0.000 1.053 1085 R HN 0.551 nan 8.270 nan 0.000 0.479 1086 I N 3.356 123.950 120.570 0.039 0.000 2.354 1086 I HA 0.088 4.259 4.170 0.000 0.000 0.286 1086 I C -0.398 175.737 176.117 0.030 0.000 1.007 1086 I CA -0.619 60.700 61.300 0.031 0.000 1.167 1086 I CB 1.590 39.599 38.000 0.014 0.000 1.320 1086 I HN 0.443 nan 8.210 nan 0.000 0.458 1087 D N 7.286 127.704 120.400 0.029 0.000 2.435 1087 D HA 0.163 4.803 4.640 0.000 0.000 0.230 1087 D C 1.016 177.339 176.300 0.038 0.000 1.215 1087 D CA 0.046 54.065 54.000 0.031 0.000 0.947 1087 D CB 0.796 41.609 40.800 0.023 0.000 1.048 1087 D HN 0.448 nan 8.370 nan 0.000 0.512 1088 L N 3.215 124.470 121.223 0.055 0.000 1.989 1088 L HA -0.170 4.170 4.340 0.000 0.000 0.211 1088 L C 2.524 179.429 176.870 0.058 0.000 1.071 1088 L CA 1.076 55.959 54.840 0.071 0.000 0.749 1088 L CB -0.393 41.737 42.059 0.118 0.000 0.890 1088 L HN 0.369 nan 8.230 nan 0.000 0.431 1089 K N 0.047 120.480 120.400 0.056 0.000 2.009 1089 K HA -0.229 4.091 4.320 0.000 0.000 0.210 1089 K C 2.488 179.105 176.600 0.028 0.000 1.049 1089 K CA 1.404 57.717 56.287 0.042 0.000 0.929 1089 K CB -0.085 32.439 32.500 0.040 0.000 0.714 1089 K HN 0.094 nan 8.250 nan 0.000 0.440 1090 R N 0.383 120.897 120.500 0.024 0.000 2.073 1090 R HA -0.122 4.218 4.340 0.000 0.000 0.234 1090 R C 2.216 178.524 176.300 0.013 0.000 1.134 1090 R CA 1.207 57.317 56.100 0.016 0.000 0.952 1090 R CB -0.318 29.990 30.300 0.013 0.000 0.850 1090 R HN 0.202 nan 8.270 nan 0.000 0.433 1091 L N 0.611 121.844 121.223 0.016 0.000 2.109 1091 L HA -0.075 4.265 4.340 0.000 0.000 0.207 1091 L C 2.310 179.185 176.870 0.009 0.000 1.086 1091 L CA 1.813 56.659 54.840 0.011 0.000 0.760 1091 L CB -1.167 40.900 42.059 0.013 0.000 0.910 1091 L HN 0.230 nan 8.230 nan 0.000 0.437 1092 S N -1.213 114.497 115.700 0.016 0.000 2.603 1092 S HA 0.231 4.701 4.470 0.000 0.000 0.220 1092 S C 1.394 175.998 174.600 0.007 0.000 0.967 1092 S CA 0.332 58.538 58.200 0.011 0.000 0.920 1092 S CB -0.115 63.099 63.200 0.023 0.000 0.773 1092 S HN 0.518 nan 8.310 nan 0.000 0.529 1093 G N 0.307 109.112 108.800 0.008 0.000 2.204 1093 G HA2 0.208 4.168 3.960 0.000 0.000 0.244 1093 G HA3 0.208 4.168 3.960 0.000 0.000 0.244 1093 G C 0.884 175.788 174.900 0.007 0.000 1.062 1093 G CA 0.156 45.260 45.100 0.005 0.000 0.798 1093 G HN 1.784 nan 8.290 nan 0.000 0.496 1094 G N -1.568 107.239 108.800 0.013 0.000 2.195 1094 G HA2 -0.191 3.769 3.960 0.000 0.000 0.224 1094 G HA3 -0.191 3.769 3.960 0.000 0.000 0.224 1094 G C 0.394 175.305 174.900 0.019 0.000 0.990 1094 G CA 0.731 45.840 45.100 0.014 0.000 0.639 1094 G HN 0.934 nan 8.290 nan 0.000 0.514 1095 K N 1.195 121.609 120.400 0.023 0.000 2.154 1095 K HA 0.614 4.934 4.320 0.000 0.000 0.264 1095 K C 0.644 177.276 176.600 0.054 0.000 1.008 1095 K CA 0.509 56.813 56.287 0.028 0.000 0.937 1095 K CB 1.010 33.523 32.500 0.021 0.000 1.002 1095 K HN 0.394 nan 8.250 nan 0.000 0.469 1096 T N -2.687 111.903 114.554 0.060 0.000 2.804 1096 T HA 0.628 4.978 4.350 0.000 0.000 0.290 1096 T C -0.395 174.364 174.700 0.099 0.000 1.099 1096 T CA -0.979 61.177 62.100 0.093 0.000 1.011 1096 T CB 1.104 70.023 68.868 0.084 0.000 1.291 1096 T HN 0.357 nan 8.240 nan 0.000 0.523 1097 V N -2.204 117.788 119.914 0.131 0.000 3.046 1097 V HA 0.925 5.045 4.120 0.000 0.000 0.316 1097 V C -0.669 175.458 176.094 0.054 0.000 1.104 1097 V CA -0.786 61.578 62.300 0.107 0.000 1.006 1097 V CB 1.650 33.585 31.823 0.186 0.000 1.058 1097 V HN 1.106 nan 8.190 nan 0.000 0.440 1098 T N 1.695 116.265 114.554 0.026 0.000 2.824 1098 T HA 0.589 4.939 4.350 0.000 0.000 0.282 1098 T C -0.568 174.127 174.700 -0.007 0.000 0.993 1098 T CA -0.339 61.755 62.100 -0.009 0.000 0.967 1098 T CB 1.569 70.439 68.868 0.003 0.000 0.960 1098 T HN 0.704 nan 8.240 nan 0.000 0.441 1099 V N 4.715 124.580 119.914 -0.082 0.000 2.385 1099 V HA 0.454 4.574 4.120 0.000 0.000 0.269 1099 V C -1.050 175.126 176.094 0.138 0.000 1.043 1099 V CA -0.402 61.879 62.300 -0.032 0.000 0.906 1099 V CB 0.174 31.888 31.823 -0.181 0.000 0.995 1099 V HN 0.828 nan 8.190 nan 0.000 0.467 1100 Y N 3.805 124.094 120.300 -0.018 0.000 2.287 1100 Y HA 0.554 5.105 4.550 0.000 0.000 0.321 1100 Y C 0.472 176.378 175.900 0.010 0.000 1.173 1100 Y CA -0.840 57.258 58.100 -0.003 0.000 1.124 1100 Y CB 1.228 39.688 38.460 -0.001 0.000 1.201 1100 Y HN 0.743 nan 8.280 nan 0.000 0.421 1101 G N 4.095 112.703 108.800 -0.321 0.000 2.368 1101 G HA2 -0.067 3.893 3.960 0.000 0.000 0.233 1101 G HA3 -0.067 3.893 3.960 0.000 0.000 0.233 1101 G C 0.634 175.371 174.900 -0.272 0.000 1.267 1101 G CA 0.280 45.225 45.100 -0.259 0.000 0.873 1101 G HN 0.911 nan 8.290 nan 0.000 0.539 1102 Q N 0.956 120.687 119.800 -0.115 0.000 2.224 1102 Q HA -0.130 4.210 4.340 0.000 0.000 0.203 1102 Q C 2.378 178.323 176.000 -0.092 0.000 0.970 1102 Q CA 1.815 57.576 55.803 -0.070 0.000 0.865 1102 Q CB -0.094 28.639 28.738 -0.009 0.000 0.922 1102 Q HN 0.681 nan 8.270 nan 0.000 0.445 1103 T N 0.609 115.095 114.554 -0.112 0.000 2.708 1103 T HA -0.146 4.204 4.350 0.000 0.000 0.266 1103 T C 1.317 175.938 174.700 -0.131 0.000 1.037 1103 T CA 1.573 63.615 62.100 -0.098 0.000 1.146 1103 T CB -0.176 68.636 68.868 -0.094 0.000 0.865 1103 T HN 0.359 nan 8.240 nan 0.000 0.435 1104 E N 0.768 120.819 120.200 -0.249 0.000 2.077 1104 E HA -0.054 4.296 4.350 0.000 0.000 0.193 1104 E C 2.347 178.831 176.600 -0.194 0.000 0.989 1104 E CA 0.541 56.756 56.400 -0.308 0.000 0.800 1104 E CB -0.694 28.590 29.700 -0.693 0.000 0.746 1104 E HN 0.218 nan 8.360 nan 0.000 0.452 1105 V N 0.776 120.566 119.914 -0.208 0.000 2.287 1105 V HA -0.299 3.821 4.120 0.000 0.000 0.248 1105 V C 2.136 178.252 176.094 0.036 0.000 1.053 1105 V CA 2.295 64.614 62.300 0.033 0.000 1.027 1105 V CB -0.803 31.051 31.823 0.052 0.000 0.646 1105 V HN 0.364 nan 8.190 nan 0.000 0.447 1106 T N -0.451 114.103 114.554 -0.000 0.000 2.777 1106 T HA -0.210 4.140 4.350 0.000 0.000 0.266 1106 T C 2.031 176.744 174.700 0.022 0.000 1.040 1106 T CA 1.651 63.762 62.100 0.019 0.000 1.141 1106 T CB -0.267 68.610 68.868 0.015 0.000 0.868 1106 T HN 0.403 nan 8.240 nan 0.000 0.444 1107 R N 1.044 121.545 120.500 0.002 0.000 2.081 1107 R HA -0.140 4.200 4.340 0.000 0.000 0.235 1107 R C 1.686 178.002 176.300 0.025 0.000 1.131 1107 R CA 1.843 57.947 56.100 0.006 0.000 0.960 1107 R CB -0.305 29.988 30.300 -0.012 0.000 0.856 1107 R HN 0.263 nan 8.270 nan 0.000 0.436 1108 D N 0.691 121.119 120.400 0.046 0.000 2.144 1108 D HA -0.144 4.496 4.640 0.000 0.000 0.199 1108 D C 1.993 178.319 176.300 0.045 0.000 0.984 1108 D CA 1.008 55.047 54.000 0.064 0.000 0.834 1108 D CB -0.128 40.745 40.800 0.121 0.000 0.955 1108 D HN 0.288 nan 8.370 nan 0.000 0.465 1109 L N -0.277 120.972 121.223 0.043 0.000 2.109 1109 L HA -0.051 4.289 4.340 0.000 0.000 0.207 1109 L C 2.494 179.377 176.870 0.022 0.000 1.086 1109 L CA 0.676 55.533 54.840 0.028 0.000 0.760 1109 L CB -0.247 41.831 42.059 0.031 0.000 0.910 1109 L HN -0.013 nan 8.230 nan 0.000 0.437 1110 M N -0.714 118.907 119.600 0.035 0.000 2.117 1110 M HA -0.217 4.263 4.480 0.000 0.000 0.262 1110 M C 2.134 178.449 176.300 0.024 0.000 1.065 1110 M CA 1.703 57.031 55.300 0.046 0.000 1.114 1110 M CB -0.294 32.340 32.600 0.057 0.000 1.361 1110 M HN 0.179 nan 8.290 nan 0.000 0.408 1111 E N 0.270 120.480 120.200 0.016 0.000 2.051 1111 E HA -0.184 4.166 4.350 0.000 0.000 0.192 1111 E C 2.096 178.694 176.600 -0.004 0.000 0.991 1111 E CA 1.355 57.759 56.400 0.007 0.000 0.799 1111 E CB -0.150 29.557 29.700 0.013 0.000 0.748 1111 E HN 0.506 nan 8.360 nan 0.000 0.449 1112 A N 1.328 124.144 122.820 -0.006 0.000 1.865 1112 A HA -0.256 4.064 4.320 0.000 0.000 0.217 1112 A C 2.100 179.647 177.584 -0.061 0.000 1.191 1112 A CA 1.803 53.824 52.037 -0.026 0.000 0.623 1112 A CB -0.561 18.426 19.000 -0.022 0.000 0.826 1112 A HN 0.102 nan 8.150 nan 0.000 0.444 1113 R N -0.648 119.819 120.500 -0.055 0.000 2.091 1113 R HA -0.170 4.170 4.340 0.000 0.000 0.238 1113 R C 2.294 178.553 176.300 -0.068 0.000 1.136 1113 R CA 1.698 57.747 56.100 -0.085 0.000 0.959 1113 R CB -0.257 30.019 30.300 -0.039 0.000 0.856 1113 R HN 0.702 nan 8.270 nan 0.000 0.437 1114 E N -0.196 119.991 120.200 -0.022 0.000 2.106 1114 E HA -0.180 4.170 4.350 0.000 0.000 0.192 1114 E C 1.748 178.334 176.600 -0.022 0.000 0.984 1114 E CA 1.103 57.498 56.400 -0.009 0.000 0.806 1114 E CB -0.024 29.680 29.700 0.008 0.000 0.750 1114 E HN 0.452 nan 8.360 nan 0.000 0.458 1115 A N 0.725 123.528 122.820 -0.028 0.000 1.883 1115 A HA -0.220 4.100 4.320 0.000 0.000 0.217 1115 A C 2.513 180.076 177.584 -0.035 0.000 1.186 1115 A CA 1.529 53.552 52.037 -0.023 0.000 0.624 1115 A CB -1.081 17.908 19.000 -0.018 0.000 0.822 1115 A HN 0.474 nan 8.150 nan 0.000 0.444 1116 C N -1.533 117.712 119.300 -0.091 0.000 2.409 1116 C HA 0.215 4.676 4.460 0.000 0.000 0.284 1116 C C 2.203 177.154 174.990 -0.065 0.000 1.354 1116 C CA 0.898 59.831 59.018 -0.142 0.000 1.787 1116 C CB -1.489 25.933 27.740 -0.531 0.000 1.900 1116 C HN 1.190 nan 8.230 nan 0.000 0.520 1117 G N -0.385 108.386 108.800 -0.049 0.000 2.148 1117 G HA2 -0.109 3.851 3.960 0.000 0.000 0.254 1117 G HA3 -0.109 3.851 3.960 0.000 0.000 0.254 1117 G C 0.207 175.105 174.900 -0.004 0.000 0.981 1117 G CA 0.404 45.500 45.100 -0.006 0.000 0.670 1117 G HN 1.007 nan 8.290 nan 0.000 0.528 1118 A N -0.146 122.640 122.820 -0.057 0.000 2.448 1118 A HA 0.586 4.907 4.320 0.000 0.000 0.239 1118 A C 0.930 178.512 177.584 -0.003 0.000 1.080 1118 A CA 1.245 53.266 52.037 -0.025 0.000 0.779 1118 A CB 0.210 19.152 19.000 -0.097 0.000 1.026 1118 A HN 0.915 nan 8.150 nan 0.000 0.499 1119 T N 2.156 116.714 114.554 0.007 0.000 2.761 1119 T HA 0.491 4.842 4.350 0.000 0.000 0.296 1119 T C -0.180 174.499 174.700 -0.035 0.000 0.934 1119 T CA 0.358 62.458 62.100 -0.000 0.000 1.091 1119 T CB 0.294 69.165 68.868 0.005 0.000 0.896 1119 T HN 0.612 nan 8.240 nan 0.000 0.515 1120 T N 2.793 117.325 114.554 -0.036 0.000 3.011 1120 T HA 0.362 4.713 4.350 0.000 0.000 0.303 1120 T C -0.372 174.246 174.700 -0.137 0.000 0.997 1120 T CA -0.603 61.419 62.100 -0.131 0.000 1.007 1120 T CB 1.226 70.028 68.868 -0.110 0.000 1.017 1120 T HN 0.332 nan 8.240 nan 0.000 0.443 1121 V N 4.655 124.424 119.914 -0.243 0.000 2.304 1121 V HA 0.353 4.473 4.120 0.000 0.000 0.269 1121 V C -0.507 175.434 176.094 -0.256 0.000 1.036 1121 V CA -0.817 61.386 62.300 -0.163 0.000 0.840 1121 V CB -0.611 31.101 31.823 -0.185 0.000 1.036 1121 V HN 0.774 nan 8.190 nan 0.000 0.466 1122 Y N 2.396 122.685 120.300 -0.017 0.000 2.281 1122 Y HA 0.230 4.780 4.550 0.000 0.000 0.337 1122 Y C 1.349 177.252 175.900 0.005 0.000 1.304 1122 Y CA -0.212 57.882 58.100 -0.010 0.000 1.465 1122 Y CB 0.367 38.830 38.460 0.006 0.000 1.350 1122 Y HN 0.651 nan 8.280 nan 0.000 0.575 1123 Q N -1.015 118.883 119.800 0.164 0.000 2.435 1123 Q HA -0.224 4.116 4.340 0.000 0.000 0.312 1123 Q C -0.715 175.340 176.000 0.092 0.000 1.333 1123 Q CA 0.400 56.262 55.803 0.099 0.000 0.883 1123 Q CB -1.631 27.170 28.738 0.104 0.000 1.170 1123 Q HN 0.576 nan 8.270 nan 0.000 0.443 1124 A N 0.289 123.136 122.820 0.045 0.000 2.478 1124 A HA 0.685 5.005 4.320 0.000 0.000 0.327 1124 A C 0.505 178.155 177.584 0.110 0.000 1.431 1124 A CA 0.250 52.352 52.037 0.109 0.000 1.014 1124 A CB 0.406 19.296 19.000 -0.184 0.000 1.143 1124 A HN 0.542 nan 8.150 nan 0.000 0.532 1125 A N 2.593 125.499 122.820 0.143 0.000 2.304 1125 A HA 0.583 4.903 4.320 0.000 0.000 0.271 1125 A C 0.631 178.282 177.584 0.112 0.000 1.091 1125 A CA -0.323 51.768 52.037 0.090 0.000 0.812 1125 A CB -0.002 19.035 19.000 0.061 0.000 1.056 1125 A HN 1.065 nan 8.150 nan 0.000 0.489 1126 E N -0.704 119.534 120.200 0.064 0.000 2.269 1126 E HA -0.149 4.201 4.350 0.000 0.000 0.223 1126 E C -0.294 176.362 176.600 0.093 0.000 1.244 1126 E CA 0.844 57.280 56.400 0.060 0.000 0.713 1126 E CB -2.712 27.019 29.700 0.053 0.000 1.178 1126 E HN 0.451 nan 8.360 nan 0.000 0.370 1127 V N 1.404 121.372 119.914 0.090 0.000 2.599 1127 V HA 0.019 4.139 4.120 0.000 0.000 0.300 1127 V C 1.053 177.166 176.094 0.032 0.000 1.034 1127 V CA 0.663 63.023 62.300 0.099 0.000 1.115 1127 V CB 0.510 32.351 31.823 0.031 0.000 0.934 1127 V HN 0.169 nan 8.190 nan 0.000 0.485 1128 R N 3.943 124.457 120.500 0.023 0.000 2.628 1128 R HA 0.557 4.897 4.340 0.000 0.000 0.288 1128 R C -1.260 174.842 176.300 -0.331 0.000 0.980 1128 R CA -0.995 55.024 56.100 -0.135 0.000 0.891 1128 R CB 1.851 32.091 30.300 -0.099 0.000 1.188 1128 R HN 0.409 nan 8.270 nan 0.000 0.450 1129 L N 3.320 124.289 121.223 -0.422 0.000 2.379 1129 L HA 0.457 4.797 4.340 0.000 0.000 0.269 1129 L C 0.300 176.701 176.870 -0.782 0.000 1.084 1129 L CA 0.002 54.588 54.840 -0.422 0.000 0.802 1129 L CB 0.521 42.456 42.059 -0.206 0.000 1.175 1129 L HN 0.418 nan 8.230 nan 0.000 0.448 1130 H N 0.844 119.689 119.070 -0.375 0.000 2.961 1130 H HA 0.157 4.713 4.556 0.000 0.000 0.371 1130 H C -0.614 174.446 175.328 -0.446 0.000 1.190 1130 H CA -0.716 54.995 56.048 -0.562 0.000 1.138 1130 H CB 1.632 30.575 29.762 -1.364 0.000 1.816 1130 H HN 0.568 nan 8.280 nan 0.000 0.551 1131 D N 1.270 121.593 120.400 -0.128 0.000 2.708 1131 D HA -0.173 4.467 4.640 0.000 0.000 0.236 1131 D C 0.854 177.120 176.300 -0.056 0.000 1.146 1131 D CA 0.427 54.398 54.000 -0.048 0.000 0.662 1131 D CB -0.891 39.926 40.800 0.029 0.000 1.059 1131 D HN 0.521 nan 8.370 nan 0.000 0.428 1132 L N -0.472 120.706 121.223 -0.074 0.000 2.081 1132 L HA -0.229 4.111 4.340 0.000 0.000 0.212 1132 L C 2.387 179.164 176.870 -0.155 0.000 1.080 1132 L CA 1.584 56.362 54.840 -0.103 0.000 0.754 1132 L CB -0.403 41.601 42.059 -0.091 0.000 0.893 1132 L HN 0.326 nan 8.230 nan 0.000 0.433 1133 Q N -0.245 119.464 119.800 -0.153 0.000 2.451 1133 Q HA 0.095 4.435 4.340 0.000 0.000 0.206 1133 Q C 1.208 177.157 176.000 -0.086 0.000 0.947 1133 Q CA 0.235 55.939 55.803 -0.165 0.000 0.937 1133 Q CB 0.133 28.782 28.738 -0.148 0.000 1.025 1133 Q HN 0.521 nan 8.270 nan 0.000 0.511 1134 G N 0.808 109.575 108.800 -0.055 0.000 2.525 1134 G HA2 0.092 4.052 3.960 0.000 0.000 0.287 1134 G HA3 0.092 4.052 3.960 0.000 0.000 0.287 1134 G C 0.183 175.058 174.900 -0.041 0.000 1.350 1134 G CA -0.377 44.704 45.100 -0.030 0.000 1.039 1134 G HN 0.107 nan 8.290 nan 0.000 0.513 1135 E N -0.961 119.219 120.200 -0.032 0.000 2.318 1135 E HA 0.079 4.429 4.350 0.000 0.000 0.193 1135 E C 1.123 177.689 176.600 -0.057 0.000 0.998 1135 E CA 0.462 56.830 56.400 -0.053 0.000 0.859 1135 E CB 0.209 29.887 29.700 -0.036 0.000 0.812 1135 E HN 0.350 nan 8.360 nan 0.000 0.492 1136 R N 1.610 122.105 120.500 -0.008 0.000 2.983 1136 R HA 0.258 4.598 4.340 0.000 0.000 0.300 1136 R C -2.451 173.911 176.300 0.103 0.000 1.367 1136 R CA -1.659 54.460 56.100 0.032 0.000 1.564 1136 R CB 0.822 31.151 30.300 0.049 0.000 1.314 1136 R HN 0.150 nan 8.270 nan 0.000 0.622 1137 P HA -0.041 nan 4.420 nan 0.000 0.269 1137 P C -1.173 176.231 177.300 0.173 0.000 1.209 1137 P CA 0.220 63.356 63.100 0.059 0.000 0.776 1137 P CB 0.612 32.312 31.700 0.000 0.000 0.876 1138 Y N -0.593 119.765 120.300 0.098 0.000 2.625 1138 Y HA 0.708 5.258 4.550 0.000 0.000 0.338 1138 Y C -1.487 174.541 175.900 0.213 0.000 1.123 1138 Y CA -1.401 56.773 58.100 0.124 0.000 1.046 1138 Y CB 0.756 39.269 38.460 0.088 0.000 1.299 1138 Y HN 0.141 nan 8.280 nan 0.000 0.464 1139 V N 1.382 121.535 119.914 0.398 0.000 2.864 1139 V HA 0.819 4.939 4.120 0.000 0.000 0.314 1139 V C -0.467 175.937 176.094 0.515 0.000 1.073 1139 V CA -0.358 62.145 62.300 0.339 0.000 0.956 1139 V CB 2.019 33.974 31.823 0.220 0.000 1.023 1139 V HN 1.057 nan 8.190 nan 0.000 0.435 1140 T N 0.506 115.345 114.554 0.476 0.000 2.900 1140 T HA 0.899 5.249 4.350 0.000 0.000 0.295 1140 T C -0.922 174.017 174.700 0.398 0.000 1.044 1140 T CA -0.559 61.775 62.100 0.390 0.000 0.995 1140 T CB 1.890 70.963 68.868 0.343 0.000 1.072 1140 T HN 0.809 nan 8.240 nan 0.000 0.473 1141 F N -1.008 118.995 119.950 0.088 0.000 2.789 1141 F HA 0.863 5.390 4.527 0.000 0.000 0.319 1141 F C -1.105 174.719 175.800 0.040 0.000 1.168 1141 F CA -1.397 56.633 58.000 0.050 0.000 0.934 1141 F CB 1.402 40.420 39.000 0.031 0.000 1.375 1141 F HN 0.553 nan 8.300 nan 0.000 0.480 1142 E N 0.827 121.089 120.200 0.104 0.000 2.199 1142 E HA 0.453 4.803 4.350 0.000 0.000 0.265 1142 E C -1.390 175.275 176.600 0.108 0.000 0.882 1142 E CA -0.981 55.421 56.400 0.003 0.000 0.759 1142 E CB 2.501 32.212 29.700 0.017 0.000 1.148 1142 E HN 0.522 nan 8.360 nan 0.000 0.412 1143 R N 2.811 123.343 120.500 0.054 0.000 2.409 1143 R HA 0.132 4.472 4.340 0.000 0.000 0.313 1143 R C -1.287 175.044 176.300 0.052 0.000 0.953 1143 R CA -0.565 55.606 56.100 0.117 0.000 0.849 1143 R CB 0.472 30.881 30.300 0.181 0.000 1.171 1143 R HN 0.671 nan 8.270 nan 0.000 0.458 1144 D N 3.106 123.538 120.400 0.054 0.000 2.890 1144 D HA -0.203 4.437 4.640 0.000 0.000 0.226 1144 D C 0.780 177.088 176.300 0.014 0.000 1.207 1144 D CA 1.291 55.311 54.000 0.033 0.000 0.764 1144 D CB -1.300 39.520 40.800 0.034 0.000 0.948 1144 D HN 0.938 nan 8.370 nan 0.000 0.404 1145 G N 0.518 109.324 108.800 0.010 0.000 2.451 1145 G HA2 -0.410 3.550 3.960 0.000 0.000 0.253 1145 G HA3 -0.410 3.550 3.960 0.000 0.000 0.253 1145 G C 0.205 175.093 174.900 -0.019 0.000 1.033 1145 G CA 0.853 45.952 45.100 -0.002 0.000 0.633 1145 G HN 1.120 nan 8.290 nan 0.000 0.537 1146 E N 0.043 120.225 120.200 -0.031 0.000 2.277 1146 E HA 0.689 5.039 4.350 0.000 0.000 0.274 1146 E C -0.064 176.469 176.600 -0.112 0.000 1.022 1146 E CA -1.094 55.270 56.400 -0.061 0.000 0.853 1146 E CB 1.209 30.873 29.700 -0.059 0.000 1.086 1146 E HN 0.211 nan 8.360 nan 0.000 0.397 1147 R N 3.073 123.497 120.500 -0.127 0.000 2.202 1147 R HA 0.340 4.680 4.340 0.000 0.000 0.334 1147 R C -1.086 175.053 176.300 -0.270 0.000 1.036 1147 R CA -0.200 55.790 56.100 -0.184 0.000 0.878 1147 R CB 0.307 30.543 30.300 -0.106 0.000 1.067 1147 R HN 0.610 nan 8.270 nan 0.000 0.457 1148 L N 3.764 124.671 121.223 -0.527 0.000 2.330 1148 L HA 0.628 4.968 4.340 0.000 0.000 0.271 1148 L C 0.040 176.622 176.870 -0.481 0.000 1.013 1148 L CA -1.134 53.371 54.840 -0.557 0.000 0.816 1148 L CB 1.937 43.531 42.059 -0.775 0.000 1.287 1148 L HN 0.535 nan 8.230 nan 0.000 0.435 1149 R N 2.091 122.481 120.500 -0.183 0.000 2.494 1149 R HA 0.609 4.949 4.340 0.000 0.000 0.305 1149 R C -1.640 174.745 176.300 0.142 0.000 0.959 1149 R CA -0.683 55.421 56.100 0.006 0.000 0.864 1149 R CB 1.601 31.855 30.300 -0.076 0.000 1.159 1149 R HN 0.451 nan 8.270 nan 0.000 0.446 1150 L N 4.440 125.845 121.223 0.303 0.000 2.318 1150 L HA 0.455 4.795 4.340 0.000 0.000 0.277 1150 L C -1.370 175.641 176.870 0.235 0.000 1.008 1150 L CA -0.331 54.673 54.840 0.274 0.000 0.846 1150 L CB 1.428 43.680 42.059 0.323 0.000 1.220 1150 L HN 0.674 nan 8.230 nan 0.000 0.423 1151 D N 4.306 124.800 120.400 0.156 0.000 2.264 1151 D HA 0.614 5.254 4.640 0.000 0.000 0.249 1151 D C -0.183 176.191 176.300 0.124 0.000 1.070 1151 D CA 0.153 54.243 54.000 0.150 0.000 0.912 1151 D CB 1.617 42.459 40.800 0.069 0.000 1.193 1151 D HN 0.826 nan 8.370 nan 0.000 0.427 1152 C N -0.618 118.753 119.300 0.118 0.000 3.314 1152 C HA 0.418 4.878 4.460 0.000 0.000 0.344 1152 C C 0.477 175.484 174.990 0.028 0.000 1.461 1152 C CA -0.654 58.417 59.018 0.087 0.000 1.249 1152 C CB 1.251 29.057 27.740 0.110 0.000 1.632 1152 C HN 0.507 nan 8.230 nan 0.000 0.452 1153 D N -0.561 119.840 120.400 0.001 0.000 2.259 1153 D HA 0.204 4.845 4.640 0.000 0.000 0.216 1153 D C -0.355 175.635 176.300 -0.517 0.000 0.961 1153 D CA 1.704 55.541 54.000 -0.271 0.000 0.878 1153 D CB 0.139 40.804 40.800 -0.224 0.000 1.009 1153 D HN 0.670 nan 8.370 nan 0.000 0.490 1154 Y N -0.589 119.804 120.300 0.156 0.000 2.581 1154 Y HA 0.499 5.049 4.550 0.000 0.000 0.345 1154 Y C -0.279 175.707 175.900 0.144 0.000 1.036 1154 Y CA -0.965 57.235 58.100 0.166 0.000 1.042 1154 Y CB 2.000 40.571 38.460 0.185 0.000 1.289 1154 Y HN -0.329 nan 8.280 nan 0.000 0.471 1155 I N 1.873 122.642 120.570 0.331 0.000 2.465 1155 I HA 0.700 4.870 4.170 0.000 0.000 0.291 1155 I C -0.673 175.570 176.117 0.210 0.000 1.014 1155 I CA -1.111 60.308 61.300 0.199 0.000 1.093 1155 I CB 1.908 39.975 38.000 0.111 0.000 1.267 1155 I HN 0.714 nan 8.210 nan 0.000 0.431 1156 A N 4.397 127.297 122.820 0.133 0.000 2.256 1156 A HA 0.676 4.996 4.320 0.000 0.000 0.317 1156 A C 0.287 177.911 177.584 0.067 0.000 1.318 1156 A CA -0.526 51.573 52.037 0.102 0.000 0.894 1156 A CB 0.646 19.681 19.000 0.058 0.000 1.165 1156 A HN 0.886 nan 8.150 nan 0.000 0.525 1157 G N 0.908 109.751 108.800 0.073 0.000 2.448 1157 G HA2 0.414 4.374 3.960 0.000 0.000 0.309 1157 G HA3 0.414 4.374 3.960 0.000 0.000 0.309 1157 G C 0.037 174.956 174.900 0.033 0.000 1.027 1157 G CA -0.151 44.972 45.100 0.039 0.000 1.104 1157 G HN 0.755 nan 8.290 nan 0.000 0.428 1158 C N 2.836 122.144 119.300 0.014 0.000 2.624 1158 C HA 0.213 4.673 4.460 0.000 0.000 0.263 1158 C C 0.752 175.739 174.990 -0.005 0.000 1.587 1158 C CA -1.006 58.018 59.018 0.009 0.000 1.718 1158 C CB -0.545 27.204 27.740 0.014 0.000 3.050 1158 C HN 0.809 nan 8.230 nan 0.000 0.517 1159 D N -0.079 120.312 120.400 -0.014 0.000 2.388 1159 D HA 0.365 5.005 4.640 0.000 0.000 0.221 1159 D C 1.069 177.358 176.300 -0.019 0.000 1.133 1159 D CA 0.439 54.427 54.000 -0.019 0.000 0.831 1159 D CB -0.142 40.639 40.800 -0.030 0.000 0.962 1159 D HN 0.519 nan 8.370 nan 0.000 0.502 1160 G N 0.407 109.195 108.800 -0.019 0.000 2.877 1160 G HA2 -0.344 3.617 3.960 0.000 0.000 0.279 1160 G HA3 -0.344 3.617 3.960 0.000 0.000 0.279 1160 G C 0.255 175.128 174.900 -0.044 0.000 1.431 1160 G CA -0.256 44.836 45.100 -0.013 0.000 0.883 1160 G HN 0.121 nan 8.290 nan 0.000 0.547 1161 F N 0.503 120.301 119.950 -0.254 0.000 2.161 1161 F HA -0.041 4.486 4.527 0.000 0.000 0.300 1161 F C 2.296 177.780 175.800 -0.528 0.000 1.089 1161 F CA 2.651 60.382 58.000 -0.449 0.000 1.282 1161 F CB -0.257 38.406 39.000 -0.562 0.000 1.010 1161 F HN 0.525 nan 8.300 nan 0.000 0.485 1162 H N -0.681 118.241 119.070 -0.247 0.000 2.537 1162 H HA 0.300 4.856 4.556 0.000 0.000 0.295 1162 H C 1.397 176.605 175.328 -0.201 0.000 1.054 1162 H CA -0.096 55.771 56.048 -0.303 0.000 1.156 1162 H CB -0.500 29.163 29.762 -0.165 0.000 1.468 1162 H HN 0.247 nan 8.280 nan 0.000 0.551 1163 G N 0.347 109.072 108.800 -0.125 0.000 2.590 1163 G HA2 0.011 3.971 3.960 0.000 0.000 0.276 1163 G HA3 0.011 3.971 3.960 0.000 0.000 0.276 1163 G C 0.806 175.654 174.900 -0.086 0.000 1.337 1163 G CA -0.008 45.045 45.100 -0.078 0.000 1.030 1163 G HN 0.410 nan 8.290 nan 0.000 0.534 1164 I N -1.527 119.003 120.570 -0.067 0.000 4.139 1164 I HA 0.087 4.257 4.170 0.000 0.000 0.320 1164 I C 2.547 178.626 176.117 -0.063 0.000 1.290 1164 I CA 1.292 62.553 61.300 -0.065 0.000 1.253 1164 I CB 0.318 38.285 38.000 -0.055 0.000 1.122 1164 I HN 0.449 nan 8.210 nan 0.000 0.421 1165 S N 0.781 116.450 115.700 -0.051 0.000 2.371 1165 S HA -0.184 4.286 4.470 0.000 0.000 0.224 1165 S C 2.280 176.864 174.600 -0.027 0.000 1.029 1165 S CA 1.138 59.317 58.200 -0.035 0.000 0.978 1165 S CB -0.726 62.466 63.200 -0.014 0.000 0.833 1165 S HN 0.541 nan 8.310 nan 0.000 0.466 1166 R N 0.793 121.275 120.500 -0.029 0.000 2.096 1166 R HA -0.029 4.311 4.340 0.000 0.000 0.235 1166 R C 1.893 178.178 176.300 -0.025 0.000 1.127 1166 R CA 1.408 57.504 56.100 -0.007 0.000 0.968 1166 R CB -0.198 30.102 30.300 -0.000 0.000 0.861 1166 R HN 0.393 nan 8.270 nan 0.000 0.440 1167 Q N -0.364 119.403 119.800 -0.054 0.000 2.482 1167 Q HA 0.039 4.379 4.340 0.000 0.000 0.209 1167 Q C 1.276 177.241 176.000 -0.058 0.000 0.961 1167 Q CA 0.692 56.459 55.803 -0.059 0.000 0.945 1167 Q CB 0.718 29.411 28.738 -0.075 0.000 1.012 1167 Q HN 0.244 nan 8.270 nan 0.000 0.515 1168 S N -0.100 115.566 115.700 -0.056 0.000 2.548 1168 S HA 0.201 4.671 4.470 0.000 0.000 0.215 1168 S C 0.861 175.432 174.600 -0.047 0.000 0.976 1168 S CA -0.166 57.998 58.200 -0.061 0.000 0.908 1168 S CB 0.446 63.603 63.200 -0.071 0.000 0.781 1168 S HN 0.242 nan 8.310 nan 0.000 0.519 1169 I N 2.872 123.406 120.570 -0.061 0.000 2.428 1169 I HA 0.235 4.405 4.170 0.000 0.000 0.289 1169 I C -2.515 173.495 176.117 -0.179 0.000 1.019 1169 I CA -2.550 58.665 61.300 -0.142 0.000 1.351 1169 I CB 0.751 38.666 38.000 -0.141 0.000 1.412 1169 I HN -0.170 nan 8.210 nan 0.000 0.513 1170 P HA -0.031 nan 4.420 nan 0.000 0.262 1170 P C 0.360 177.573 177.300 -0.146 0.000 1.199 1170 P CA 0.172 63.172 63.100 -0.167 0.000 0.763 1170 P CB 0.892 32.488 31.700 -0.173 0.000 0.790 1171 A N 5.387 128.154 122.820 -0.088 0.000 1.958 1171 A HA -0.235 4.085 4.320 0.000 0.000 0.221 1171 A C 1.829 179.374 177.584 -0.065 0.000 1.178 1171 A CA 1.760 53.759 52.037 -0.064 0.000 0.642 1171 A CB -0.812 18.163 19.000 -0.041 0.000 0.816 1171 A HN 0.639 nan 8.150 nan 0.000 0.453 1172 E N 0.066 120.226 120.200 -0.066 0.000 2.472 1172 E HA -0.146 4.204 4.350 0.000 0.000 0.200 1172 E C 1.280 177.844 176.600 -0.060 0.000 1.046 1172 E CA 0.588 56.955 56.400 -0.056 0.000 0.871 1172 E CB -0.341 29.332 29.700 -0.044 0.000 0.806 1172 E HN 0.659 nan 8.360 nan 0.000 0.533 1173 R N 0.388 120.835 120.500 -0.087 0.000 2.334 1173 R HA 0.349 4.689 4.340 0.000 0.000 0.216 1173 R C 0.455 176.724 176.300 -0.052 0.000 0.905 1173 R CA 0.024 56.077 56.100 -0.079 0.000 1.064 1173 R CB 0.506 30.717 30.300 -0.149 0.000 1.046 1173 R HN 0.152 nan 8.270 nan 0.000 0.508 1174 L N 0.732 121.924 121.223 -0.051 0.000 2.342 1174 L HA 0.444 4.784 4.340 0.000 0.000 0.271 1174 L C -0.297 176.553 176.870 -0.033 0.000 1.008 1174 L CA -0.816 54.012 54.840 -0.019 0.000 0.818 1174 L CB 2.117 44.171 42.059 -0.008 0.000 1.296 1174 L HN -0.229 nan 8.230 nan 0.000 0.427 1175 K N 1.609 121.997 120.400 -0.019 0.000 2.323 1175 K HA 0.604 4.925 4.320 0.000 0.000 0.259 1175 K C -1.466 175.025 176.600 -0.181 0.000 0.947 1175 K CA -0.533 55.677 56.287 -0.128 0.000 0.819 1175 K CB 1.855 34.297 32.500 -0.096 0.000 1.109 1175 K HN 0.335 nan 8.250 nan 0.000 0.429 1176 V N 5.433 125.154 119.914 -0.322 0.000 2.427 1176 V HA 0.462 4.582 4.120 0.000 0.000 0.286 1176 V C -0.881 174.895 176.094 -0.531 0.000 1.034 1176 V CA -0.589 61.500 62.300 -0.352 0.000 0.893 1176 V CB 0.937 32.625 31.823 -0.224 0.000 0.982 1176 V HN 0.606 nan 8.190 nan 0.000 0.452 1177 F N 3.297 123.079 119.950 -0.279 0.000 2.445 1177 F HA 0.627 5.154 4.527 0.000 0.000 0.348 1177 F C 0.153 175.820 175.800 -0.222 0.000 1.125 1177 F CA -0.345 57.582 58.000 -0.121 0.000 0.983 1177 F CB 1.486 40.563 39.000 0.128 0.000 1.198 1177 F HN 0.509 nan 8.300 nan 0.000 0.436 1178 E N 2.724 122.928 120.200 0.007 0.000 2.383 1178 E HA 0.722 5.072 4.350 0.000 0.000 0.275 1178 E C -1.507 175.096 176.600 0.004 0.000 0.918 1178 E CA -1.153 55.265 56.400 0.030 0.000 0.764 1178 E CB 2.345 32.115 29.700 0.116 0.000 1.252 1178 E HN 0.581 nan 8.360 nan 0.000 0.449 1179 R N 2.380 122.852 120.500 -0.047 0.000 2.533 1179 R HA 0.414 4.754 4.340 0.000 0.000 0.288 1179 R C -2.234 173.865 176.300 -0.334 0.000 1.039 1179 R CA -0.498 55.480 56.100 -0.204 0.000 0.909 1179 R CB 1.769 31.912 30.300 -0.262 0.000 1.195 1179 R HN 0.253 nan 8.270 nan 0.000 0.438 1180 V N 5.930 125.653 119.914 -0.318 0.000 2.370 1180 V HA 0.412 4.532 4.120 0.000 0.000 0.283 1180 V C -0.578 175.245 176.094 -0.453 0.000 1.023 1180 V CA -0.647 61.481 62.300 -0.286 0.000 0.857 1180 V CB 0.920 32.672 31.823 -0.119 0.000 0.985 1180 V HN 0.648 nan 8.190 nan 0.000 0.443 1181 Y N 6.338 126.478 120.300 -0.266 0.000 2.336 1181 Y HA 0.284 4.835 4.550 0.000 0.000 0.331 1181 Y C -1.151 174.372 175.900 -0.629 0.000 1.211 1181 Y CA -1.949 55.807 58.100 -0.575 0.000 1.346 1181 Y CB 0.579 38.468 38.460 -0.952 0.000 1.271 1181 Y HN 0.447 nan 8.280 nan 0.000 0.538 1182 P HA 0.041 nan 4.420 nan 0.000 0.259 1182 P C -1.217 175.936 177.300 -0.244 0.000 1.480 1182 P CA 0.545 63.448 63.100 -0.328 0.000 0.842 1182 P CB -0.548 31.066 31.700 -0.144 0.000 1.513 1183 F N -3.231 116.710 119.950 -0.015 0.000 2.741 1183 F HA 0.782 5.309 4.527 0.000 0.000 0.311 1183 F C -0.426 175.380 175.800 0.009 0.000 1.149 1183 F CA -1.806 56.188 58.000 -0.010 0.000 0.930 1183 F CB 0.376 39.342 39.000 -0.057 0.000 1.312 1183 F HN -0.107 nan 8.300 nan 0.000 0.450 1184 G N -0.864 108.163 108.800 0.378 0.000 2.714 1184 G HA2 0.539 4.500 3.960 0.000 0.000 0.292 1184 G HA3 0.539 4.500 3.960 0.000 0.000 0.292 1184 G C -2.590 172.567 174.900 0.429 0.000 1.308 1184 G CA -0.826 44.446 45.100 0.288 0.000 0.964 1184 G HN 0.573 nan 8.290 nan 0.000 0.484 1185 W N 0.338 121.689 121.300 0.086 0.000 2.376 1185 W HA 0.528 5.188 4.660 0.000 0.000 0.312 1185 W C -0.563 176.027 176.519 0.118 0.000 1.060 1185 W CA -1.141 56.269 57.345 0.109 0.000 1.221 1185 W CB 1.542 31.038 29.460 0.059 0.000 1.281 1185 W HN 0.278 nan 8.180 nan 0.000 0.456 1186 L N 4.791 126.162 121.223 0.246 0.000 2.261 1186 L HA 0.762 5.102 4.340 0.000 0.000 0.289 1186 L C 0.255 177.247 176.870 0.202 0.000 1.059 1186 L CA -0.080 54.810 54.840 0.083 0.000 0.816 1186 L CB 0.178 42.105 42.059 -0.220 0.000 1.191 1186 L HN 0.405 nan 8.230 nan 0.000 0.431 1187 G N 5.229 114.112 108.800 0.138 0.000 2.420 1187 G HA2 0.600 4.560 3.960 0.000 0.000 0.331 1187 G HA3 0.600 4.560 3.960 0.000 0.000 0.331 1187 G C -1.785 172.874 174.900 -0.403 0.000 1.168 1187 G CA -0.628 44.401 45.100 -0.118 0.000 0.936 1187 G HN 0.719 nan 8.290 nan 0.000 0.479 1188 L N 2.092 122.920 121.223 -0.658 0.000 2.404 1188 L HA 0.575 4.915 4.340 0.000 0.000 0.272 1188 L C -1.320 175.290 176.870 -0.433 0.000 0.980 1188 L CA -1.009 53.415 54.840 -0.693 0.000 0.836 1188 L CB 1.831 43.050 42.059 -1.401 0.000 1.238 1188 L HN 0.454 nan 8.230 nan 0.000 0.408 1189 L N 5.451 126.509 121.223 -0.276 0.000 2.265 1189 L HA 0.836 5.176 4.340 0.000 0.000 0.288 1189 L C -0.368 176.457 176.870 -0.075 0.000 1.058 1189 L CA 0.185 54.926 54.840 -0.165 0.000 0.809 1189 L CB 1.150 43.133 42.059 -0.126 0.000 1.179 1189 L HN 0.681 nan 8.230 nan 0.000 0.429 1190 A N 3.403 126.236 122.820 0.022 0.000 2.454 1190 A HA 0.512 4.833 4.320 0.000 0.000 0.302 1190 A C -0.732 176.904 177.584 0.085 0.000 1.079 1190 A CA -0.608 51.499 52.037 0.117 0.000 0.731 1190 A CB 1.062 20.267 19.000 0.341 0.000 1.299 1190 A HN 0.616 nan 8.150 nan 0.000 0.413 1191 D N 1.842 122.281 120.400 0.065 0.000 2.896 1191 D HA 0.340 4.980 4.640 0.000 0.000 0.240 1191 D C 0.174 176.494 176.300 0.033 0.000 1.193 1191 D CA 0.572 54.593 54.000 0.035 0.000 0.983 1191 D CB -0.101 40.710 40.800 0.018 0.000 1.074 1191 D HN 0.630 nan 8.370 nan 0.000 0.496 1192 T N -1.665 112.920 114.554 0.051 0.000 2.916 1192 T HA 0.648 4.998 4.350 0.000 0.000 0.292 1192 T C -2.921 171.796 174.700 0.028 0.000 1.055 1192 T CA -2.149 59.966 62.100 0.026 0.000 1.009 1192 T CB 2.515 71.391 68.868 0.013 0.000 1.118 1192 T HN -0.121 nan 8.240 nan 0.000 0.497 1193 P HA 0.294 nan 4.420 nan 0.000 0.275 1193 P C -2.609 174.697 177.300 0.011 0.000 1.227 1193 P CA -1.582 61.514 63.100 -0.007 0.000 0.781 1193 P CB -0.143 31.542 31.700 -0.025 0.000 0.906 1194 P HA -0.066 nan 4.420 nan 0.000 0.266 1194 P C 1.171 178.469 177.300 -0.004 0.000 1.195 1194 P CA 0.085 63.186 63.100 0.002 0.000 0.768 1194 P CB 0.734 32.386 31.700 -0.080 0.000 0.838 1195 V N 1.779 121.756 119.914 0.106 0.000 3.026 1195 V HA -0.091 4.029 4.120 0.000 0.000 0.265 1195 V C 0.973 177.050 176.094 -0.029 0.000 1.121 1195 V CA 2.028 64.353 62.300 0.043 0.000 1.142 1195 V CB -0.355 31.524 31.823 0.093 0.000 0.730 1195 V HN 0.768 nan 8.190 nan 0.000 0.503 1196 S N -2.761 112.900 115.700 -0.065 0.000 2.556 1196 S HA 0.445 4.915 4.470 0.000 0.000 0.271 1196 S C 0.167 174.660 174.600 -0.178 0.000 1.135 1196 S CA -0.512 57.629 58.200 -0.098 0.000 0.858 1196 S CB 1.495 64.687 63.200 -0.014 0.000 1.114 1196 S HN 0.438 nan 8.310 nan 0.000 0.468 1197 H N 1.103 120.148 119.070 -0.041 0.000 2.502 1197 H HA 0.326 4.882 4.556 0.000 0.000 0.283 1197 H C 0.476 175.669 175.328 -0.225 0.000 1.015 1197 H CA 0.837 56.828 56.048 -0.095 0.000 1.298 1197 H CB 0.340 30.033 29.762 -0.116 0.000 1.411 1197 H HN 0.481 nan 8.280 nan 0.000 0.556 1198 E N 0.475 120.643 120.200 -0.054 0.000 2.222 1198 E HA 0.250 4.600 4.350 0.000 0.000 0.267 1198 E C -0.797 175.836 176.600 0.054 0.000 0.963 1198 E CA -0.973 55.386 56.400 -0.069 0.000 0.837 1198 E CB 2.127 31.808 29.700 -0.032 0.000 1.183 1198 E HN -0.013 nan 8.360 nan 0.000 0.403 1199 L N 1.909 123.219 121.223 0.145 0.000 2.416 1199 L HA 0.214 4.554 4.340 0.000 0.000 0.272 1199 L C -0.197 176.695 176.870 0.037 0.000 1.161 1199 L CA 0.659 55.545 54.840 0.076 0.000 0.845 1199 L CB 0.219 42.357 42.059 0.131 0.000 1.119 1199 L HN 0.366 nan 8.230 nan 0.000 0.464 1200 I N 3.635 124.167 120.570 -0.063 0.000 2.411 1200 I HA 0.256 4.426 4.170 0.000 0.000 0.284 1200 I C -1.032 174.993 176.117 -0.154 0.000 1.012 1200 I CA -0.543 60.740 61.300 -0.029 0.000 1.119 1200 I CB 0.903 38.891 38.000 -0.020 0.000 1.261 1200 I HN 0.365 nan 8.210 nan 0.000 0.448 1201 Y N 4.808 125.089 120.300 -0.031 0.000 2.326 1201 Y HA 0.655 5.205 4.550 0.000 0.000 0.337 1201 Y C 0.480 176.314 175.900 -0.110 0.000 1.023 1201 Y CA -0.543 57.514 58.100 -0.071 0.000 1.143 1201 Y CB 1.674 40.186 38.460 0.087 0.000 1.183 1201 Y HN 0.582 nan 8.280 nan 0.000 0.485 1202 A N 3.933 126.650 122.820 -0.172 0.000 2.330 1202 A HA 0.388 4.708 4.320 0.000 0.000 0.313 1202 A C -0.960 176.589 177.584 -0.059 0.000 1.124 1202 A CA -0.876 51.108 52.037 -0.089 0.000 0.774 1202 A CB 0.699 19.609 19.000 -0.152 0.000 1.198 1202 A HN 0.704 nan 8.150 nan 0.000 0.465 1203 N N 2.421 121.174 118.700 0.087 0.000 2.422 1203 N HA 0.233 4.973 4.740 0.000 0.000 0.266 1203 N C -1.211 174.369 175.510 0.116 0.000 1.007 1203 N CA 0.043 53.151 53.050 0.097 0.000 0.941 1203 N CB 0.591 39.135 38.487 0.094 0.000 1.115 1203 N HN 0.804 nan 8.380 nan 0.000 0.492 1204 H N 3.583 122.647 119.070 -0.012 0.000 2.851 1204 H HA 0.335 4.891 4.556 0.000 0.000 0.372 1204 H C -2.046 173.282 175.328 -0.000 0.000 1.158 1204 H CA -1.488 54.551 56.048 -0.016 0.000 1.159 1204 H CB 2.576 32.299 29.762 -0.064 0.000 1.757 1204 H HN 0.293 nan 8.280 nan 0.000 0.546 1205 P HA -0.128 nan 4.420 nan 0.000 0.217 1205 P C 0.973 178.314 177.300 0.068 0.000 1.151 1205 P CA 1.620 64.626 63.100 -0.157 0.000 0.849 1205 P CB 0.194 31.745 31.700 -0.249 0.000 0.787 1206 R N -1.523 119.163 120.500 0.310 0.000 2.307 1206 R HA 0.285 4.625 4.340 0.000 0.000 0.199 1206 R C 1.005 177.380 176.300 0.126 0.000 1.000 1206 R CA 0.603 56.830 56.100 0.212 0.000 1.023 1206 R CB -0.278 30.135 30.300 0.187 0.000 0.908 1206 R HN 0.238 nan 8.270 nan 0.000 0.473 1207 G N 0.249 109.123 108.800 0.122 0.000 2.355 1207 G HA2 -0.130 3.830 3.960 0.000 0.000 0.619 1207 G HA3 -0.130 3.830 3.960 0.000 0.000 0.619 1207 G C -1.269 173.634 174.900 0.006 0.000 1.337 1207 G CA -1.007 44.120 45.100 0.045 0.000 0.993 1207 G HN 0.095 nan 8.290 nan 0.000 0.599 1208 F N 1.259 121.060 119.950 -0.248 0.000 2.506 1208 F HA 0.636 5.163 4.527 0.000 0.000 0.351 1208 F C 0.550 176.134 175.800 -0.359 0.000 1.136 1208 F CA 0.903 58.676 58.000 -0.379 0.000 1.298 1208 F CB 0.939 39.483 39.000 -0.761 0.000 1.145 1208 F HN 1.296 nan 8.300 nan 0.000 0.593 1209 A N 5.928 127.978 122.820 -1.283 0.000 2.515 1209 A HA 0.730 5.050 4.320 0.000 0.000 0.298 1209 A C -2.279 174.477 177.584 -1.380 0.000 1.059 1209 A CA -0.712 50.693 52.037 -1.054 0.000 0.698 1209 A CB 1.575 20.239 19.000 -0.559 0.000 1.289 1209 A HN 0.892 nan 8.150 nan 0.000 0.404 1210 L N 1.130 121.829 121.223 -0.873 0.000 2.436 1210 L HA 0.725 5.065 4.340 0.000 0.000 0.268 1210 L C -1.317 175.426 176.870 -0.212 0.000 0.974 1210 L CA -0.337 54.133 54.840 -0.618 0.000 0.826 1210 L CB 1.500 43.222 42.059 -0.561 0.000 1.291 1210 L HN 0.674 nan 8.230 nan 0.000 0.406 1211 C N 3.381 122.571 119.300 -0.184 0.000 2.251 1211 C HA 0.830 5.291 4.460 0.000 0.000 0.323 1211 C C 0.666 175.537 174.990 -0.199 0.000 1.241 1211 C CA -0.283 58.692 59.018 -0.071 0.000 1.601 1211 C CB 0.073 27.857 27.740 0.075 0.000 2.251 1211 C HN 0.923 nan 8.230 nan 0.000 0.488 1212 S N 1.855 117.363 115.700 -0.321 0.000 2.921 1212 S HA 0.835 5.305 4.470 0.000 0.000 0.315 1212 S C -1.347 173.097 174.600 -0.260 0.000 1.087 1212 S CA -0.328 57.758 58.200 -0.190 0.000 0.877 1212 S CB 1.590 64.753 63.200 -0.062 0.000 1.340 1212 S HN 0.895 nan 8.310 nan 0.000 0.622 1213 Q N -0.417 119.308 119.800 -0.125 0.000 2.687 1213 Q HA 0.531 4.871 4.340 0.000 0.000 0.295 1213 Q C -1.088 174.884 176.000 -0.046 0.000 0.920 1213 Q CA -0.903 54.837 55.803 -0.106 0.000 0.766 1213 Q CB 0.825 29.543 28.738 -0.034 0.000 1.467 1213 Q HN 0.570 nan 8.270 nan 0.000 0.415 1214 R N -0.339 120.140 120.500 -0.034 0.000 2.576 1214 R HA 0.298 4.638 4.340 0.000 0.000 0.237 1214 R C 0.191 176.505 176.300 0.023 0.000 0.917 1214 R CA 1.149 57.240 56.100 -0.014 0.000 1.002 1214 R CB 1.408 31.681 30.300 -0.046 0.000 1.428 1214 R HN 0.881 nan 8.270 nan 0.000 0.603 1215 S N -1.827 113.887 115.700 0.022 0.000 2.724 1215 S HA 0.473 4.943 4.470 0.000 0.000 0.278 1215 S C 0.354 174.974 174.600 0.033 0.000 1.190 1215 S CA -0.121 58.105 58.200 0.042 0.000 0.860 1215 S CB 0.951 64.171 63.200 0.034 0.000 1.206 1215 S HN -0.025 nan 8.310 nan 0.000 0.507 1216 A N 0.592 123.436 122.820 0.039 0.000 2.066 1216 A HA 0.208 4.528 4.320 0.000 0.000 0.218 1216 A C 1.701 179.290 177.584 0.009 0.000 1.157 1216 A CA 1.855 53.909 52.037 0.028 0.000 0.670 1216 A CB -1.120 17.904 19.000 0.041 0.000 0.804 1216 A HN 1.623 nan 8.150 nan 0.000 0.453 1217 T N -4.075 110.486 114.554 0.011 0.000 3.170 1217 T HA 0.426 4.776 4.350 0.000 0.000 0.288 1217 T C 0.180 174.884 174.700 0.006 0.000 0.992 1217 T CA -0.408 61.696 62.100 0.006 0.000 0.909 1217 T CB -0.103 68.769 68.868 0.006 0.000 1.133 1217 T HN 0.317 nan 8.240 nan 0.000 0.530 1218 R N 0.634 121.134 120.500 0.001 0.000 2.561 1218 R HA 0.703 5.044 4.340 0.000 0.000 0.297 1218 R C -1.323 174.959 176.300 -0.030 0.000 0.969 1218 R CA -0.281 55.815 56.100 -0.007 0.000 0.879 1218 R CB 1.800 32.091 30.300 -0.015 0.000 1.178 1218 R HN 0.138 nan 8.270 nan 0.000 0.445 1219 S N 1.785 117.468 115.700 -0.027 0.000 2.638 1219 S HA 0.656 5.126 4.470 0.000 0.000 0.302 1219 S C -1.372 173.095 174.600 -0.222 0.000 1.096 1219 S CA -0.746 57.379 58.200 -0.126 0.000 0.953 1219 S CB 1.773 64.993 63.200 0.034 0.000 1.107 1219 S HN 0.560 nan 8.310 nan 0.000 0.503 1220 R N 1.115 121.317 120.500 -0.497 0.000 2.533 1220 R HA 0.573 4.913 4.340 0.000 0.000 0.288 1220 R C -2.429 173.415 176.300 -0.761 0.000 1.039 1220 R CA -0.364 55.446 56.100 -0.483 0.000 0.909 1220 R CB 0.318 30.431 30.300 -0.313 0.000 1.195 1220 R HN 0.657 nan 8.270 nan 0.000 0.438 1221 Y N 3.118 123.163 120.300 -0.424 0.000 2.576 1221 Y HA 0.609 5.159 4.550 0.000 0.000 0.346 1221 Y C -0.958 174.643 175.900 -0.499 0.000 1.018 1221 Y CA -0.640 57.281 58.100 -0.298 0.000 1.050 1221 Y CB 2.186 40.661 38.460 0.024 0.000 1.280 1221 Y HN 0.472 nan 8.280 nan 0.000 0.474 1222 Y N 0.027 120.371 120.300 0.072 0.000 2.534 1222 Y HA 0.674 5.224 4.550 0.000 0.000 0.345 1222 Y C -0.834 174.902 175.900 -0.274 0.000 1.031 1222 Y CA -1.448 56.605 58.100 -0.078 0.000 1.022 1222 Y CB 2.113 40.349 38.460 -0.374 0.000 1.292 1222 Y HN 0.388 nan 8.280 nan 0.000 0.459 1223 V N -0.434 119.430 119.914 -0.082 0.000 2.841 1223 V HA 0.588 4.708 4.120 0.000 0.000 0.310 1223 V C -0.831 175.181 176.094 -0.137 0.000 1.090 1223 V CA -1.196 60.939 62.300 -0.276 0.000 0.930 1223 V CB 1.600 33.151 31.823 -0.452 0.000 1.014 1223 V HN 0.854 nan 8.190 nan 0.000 0.425 1224 Q N 3.146 122.915 119.800 -0.052 0.000 2.373 1224 Q HA 0.711 5.051 4.340 0.000 0.000 0.255 1224 Q C -0.425 175.579 176.000 0.008 0.000 0.980 1224 Q CA -0.431 55.418 55.803 0.076 0.000 0.882 1224 Q CB 1.782 30.545 28.738 0.042 0.000 1.249 1224 Q HN 1.545 nan 8.270 nan 0.000 0.438 1225 V N -2.036 117.926 119.914 0.080 0.000 3.007 1225 V HA 0.664 4.784 4.120 0.000 0.000 0.311 1225 V C -2.736 173.460 176.094 0.169 0.000 1.120 1225 V CA -2.722 59.614 62.300 0.060 0.000 0.980 1225 V CB 1.519 33.289 31.823 -0.088 0.000 1.033 1225 V HN 0.861 nan 8.190 nan 0.000 0.429 1226 P HA 0.206 nan 4.420 nan 0.000 0.272 1226 P C 0.427 177.821 177.300 0.156 0.000 1.240 1226 P CA -0.227 62.982 63.100 0.181 0.000 0.791 1226 P CB 0.888 32.687 31.700 0.165 0.000 0.978 1227 L N 1.356 122.655 121.223 0.127 0.000 2.456 1227 L HA -0.102 4.238 4.340 0.000 0.000 0.224 1227 L C 2.282 179.212 176.870 0.099 0.000 1.148 1227 L CA 1.747 56.647 54.840 0.100 0.000 0.825 1227 L CB -1.904 40.194 42.059 0.065 0.000 0.937 1227 L HN 0.423 nan 8.230 nan 0.000 0.450 1228 S N -2.452 113.313 115.700 0.108 0.000 2.527 1228 S HA 0.055 4.525 4.470 0.000 0.000 0.222 1228 S C 0.727 175.403 174.600 0.127 0.000 0.985 1228 S CA -0.214 58.048 58.200 0.103 0.000 0.921 1228 S CB -0.259 62.998 63.200 0.094 0.000 0.772 1228 S HN 0.334 nan 8.310 nan 0.000 0.529 1229 E N 2.121 122.420 120.200 0.165 0.000 2.366 1229 E HA 0.332 4.682 4.350 0.000 0.000 0.266 1229 E C -0.539 176.174 176.600 0.189 0.000 1.051 1229 E CA 0.107 56.643 56.400 0.226 0.000 0.884 1229 E CB 0.666 30.559 29.700 0.323 0.000 1.006 1229 E HN 0.501 nan 8.360 nan 0.000 0.417 1230 K N 0.796 121.327 120.400 0.217 0.000 2.316 1230 K HA 0.249 4.569 4.320 0.000 0.000 0.251 1230 K C 0.718 177.459 176.600 0.235 0.000 0.934 1230 K CA -0.639 55.750 56.287 0.170 0.000 0.802 1230 K CB 2.315 34.891 32.500 0.126 0.000 1.171 1230 K HN 0.162 nan 8.250 nan 0.000 0.426 1231 V N 2.429 122.446 119.914 0.172 0.000 2.332 1231 V HA -0.259 3.861 4.120 0.000 0.000 0.248 1231 V C 1.786 178.010 176.094 0.216 0.000 1.055 1231 V CA 2.164 64.575 62.300 0.184 0.000 1.038 1231 V CB -0.356 31.523 31.823 0.093 0.000 0.651 1231 V HN 0.910 nan 8.190 nan 0.000 0.450 1232 E N -0.460 119.826 120.200 0.144 0.000 2.396 1232 E HA -0.223 4.127 4.350 0.000 0.000 0.200 1232 E C 1.217 177.881 176.600 0.107 0.000 1.023 1232 E CA 1.297 57.761 56.400 0.108 0.000 0.857 1232 E CB -0.662 29.080 29.700 0.070 0.000 0.775 1232 E HN 0.659 nan 8.360 nan 0.000 0.525 1233 D N -0.530 119.962 120.400 0.153 0.000 2.328 1233 D HA 0.029 4.669 4.640 0.000 0.000 0.221 1233 D C -0.680 175.554 176.300 -0.109 0.000 1.072 1233 D CA 0.184 54.204 54.000 0.033 0.000 0.850 1233 D CB -0.186 40.630 40.800 0.027 0.000 0.922 1233 D HN 0.212 nan 8.370 nan 0.000 0.516 1234 W N 1.821 123.138 121.300 0.028 0.000 2.466 1234 W HA 0.234 4.894 4.660 0.000 0.000 0.303 1234 W C 0.245 176.774 176.519 0.017 0.000 0.999 1234 W CA -0.742 56.623 57.345 0.034 0.000 1.437 1234 W CB 0.799 30.294 29.460 0.059 0.000 1.274 1234 W HN -0.277 nan 8.180 nan 0.000 0.417 1235 S N 0.562 116.336 115.700 0.124 0.000 2.603 1235 S HA 0.119 4.589 4.470 0.000 0.000 0.268 1235 S C 0.996 175.674 174.600 0.129 0.000 1.317 1235 S CA -0.318 57.939 58.200 0.095 0.000 1.012 1235 S CB 1.412 64.639 63.200 0.045 0.000 0.926 1235 S HN 0.446 nan 8.310 nan 0.000 0.539 1236 D N 1.370 121.817 120.400 0.079 0.000 2.172 1236 D HA -0.190 4.450 4.640 0.000 0.000 0.196 1236 D C 1.992 178.376 176.300 0.140 0.000 0.999 1236 D CA 2.060 56.076 54.000 0.027 0.000 0.856 1236 D CB -0.318 40.553 40.800 0.118 0.000 0.934 1236 D HN 0.947 nan 8.370 nan 0.000 0.453 1237 E N 0.652 120.985 120.200 0.221 0.000 2.152 1237 E HA -0.153 4.198 4.350 0.000 0.000 0.192 1237 E C 2.162 178.875 176.600 0.189 0.000 0.983 1237 E CA 0.433 56.994 56.400 0.269 0.000 0.818 1237 E CB -0.235 29.566 29.700 0.168 0.000 0.758 1237 E HN 0.162 nan 8.360 nan 0.000 0.467 1238 R N 0.257 120.831 120.500 0.124 0.000 2.075 1238 R HA -0.146 4.194 4.340 0.000 0.000 0.232 1238 R C 2.142 178.577 176.300 0.224 0.000 1.126 1238 R CA 1.339 57.467 56.100 0.048 0.000 0.963 1238 R CB -0.368 29.830 30.300 -0.171 0.000 0.858 1238 R HN 0.257 nan 8.270 nan 0.000 0.435 1239 F N 0.018 120.078 119.950 0.183 0.000 2.051 1239 F HA -0.206 4.321 4.527 0.000 0.000 0.296 1239 F C 1.577 177.325 175.800 -0.087 0.000 1.122 1239 F CA 1.915 59.944 58.000 0.049 0.000 1.201 1239 F CB -0.507 38.314 39.000 -0.299 0.000 0.978 1239 F HN 0.063 nan 8.300 nan 0.000 0.472 1240 W N 0.468 121.899 121.300 0.219 0.000 2.342 1240 W HA -0.227 4.433 4.660 0.000 0.000 0.297 1240 W C 2.516 178.959 176.519 -0.127 0.000 1.213 1240 W CA 1.472 58.828 57.345 0.019 0.000 1.251 1240 W CB -1.052 28.434 29.460 0.044 0.000 1.136 1240 W HN -0.061 nan 8.180 nan 0.000 0.526 1241 T N -0.258 114.381 114.554 0.141 0.000 2.737 1241 T HA -0.240 4.110 4.350 0.000 0.000 0.265 1241 T C 1.427 176.095 174.700 -0.053 0.000 1.038 1241 T CA 1.701 63.822 62.100 0.035 0.000 1.144 1241 T CB -0.378 68.507 68.868 0.029 0.000 0.866 1241 T HN 0.027 nan 8.240 nan 0.000 0.434 1242 E N 1.040 121.195 120.200 -0.075 0.000 2.072 1242 E HA -0.063 4.287 4.350 0.000 0.000 0.191 1242 E C 1.992 178.422 176.600 -0.283 0.000 0.985 1242 E CA 0.596 56.922 56.400 -0.124 0.000 0.801 1242 E CB -0.549 29.157 29.700 0.011 0.000 0.750 1242 E HN 0.354 nan 8.360 nan 0.000 0.452 1243 L N 0.915 121.874 121.223 -0.440 0.000 1.989 1243 L HA -0.165 4.176 4.340 0.000 0.000 0.211 1243 L C 1.953 178.654 176.870 -0.281 0.000 1.071 1243 L CA 2.040 56.608 54.840 -0.454 0.000 0.749 1243 L CB -0.398 41.344 42.059 -0.528 0.000 0.890 1243 L HN -0.009 nan 8.230 nan 0.000 0.431 1244 K N -0.316 119.974 120.400 -0.183 0.000 2.103 1244 K HA -0.128 4.192 4.320 0.000 0.000 0.207 1244 K C 2.028 178.516 176.600 -0.187 0.000 1.048 1244 K CA 1.369 57.567 56.287 -0.148 0.000 0.930 1244 K CB -0.473 31.974 32.500 -0.088 0.000 0.716 1244 K HN 0.523 nan 8.250 nan 0.000 0.444 1245 A N 1.180 123.879 122.820 -0.202 0.000 2.125 1245 A HA -0.127 4.193 4.320 0.000 0.000 0.219 1245 A C 1.618 178.903 177.584 -0.498 0.000 1.156 1245 A CA 1.119 53.012 52.037 -0.240 0.000 0.671 1245 A CB -0.197 18.704 19.000 -0.166 0.000 0.794 1245 A HN 0.222 nan 8.150 nan 0.000 0.459 1246 R N -1.205 118.983 120.500 -0.519 0.000 2.397 1246 R HA 0.380 4.720 4.340 0.000 0.000 0.241 1246 R C -0.547 175.483 176.300 -0.451 0.000 0.914 1246 R CA -0.125 55.513 56.100 -0.770 0.000 1.071 1246 R CB 0.168 30.185 30.300 -0.472 0.000 1.116 1246 R HN 0.369 nan 8.270 nan 0.000 0.524 1247 L N 1.055 122.101 121.223 -0.294 0.000 2.322 1247 L HA 0.495 4.835 4.340 0.000 0.000 0.269 1247 L C -2.304 174.513 176.870 -0.087 0.000 1.012 1247 L CA -2.634 52.114 54.840 -0.155 0.000 0.815 1247 L CB 1.173 43.151 42.059 -0.135 0.000 1.295 1247 L HN -0.316 nan 8.230 nan 0.000 0.438 1248 P HA -0.005 nan 4.420 nan 0.000 0.264 1248 P C 0.475 177.752 177.300 -0.040 0.000 1.183 1248 P CA 0.033 63.117 63.100 -0.028 0.000 0.763 1248 P CB 0.690 32.376 31.700 -0.024 0.000 0.807 1249 S N 2.832 118.511 115.700 -0.033 0.000 2.387 1249 S HA -0.256 4.214 4.470 0.000 0.000 0.230 1249 S C 1.474 176.051 174.600 -0.037 0.000 1.035 1249 S CA 1.370 59.548 58.200 -0.038 0.000 1.014 1249 S CB -0.843 62.340 63.200 -0.029 0.000 0.836 1249 S HN 0.618 nan 8.310 nan 0.000 0.466 1250 E N 1.543 121.725 120.200 -0.031 0.000 2.204 1250 E HA -0.075 4.275 4.350 0.000 0.000 0.195 1250 E C 2.029 178.611 176.600 -0.029 0.000 0.990 1250 E CA 1.083 57.467 56.400 -0.027 0.000 0.821 1250 E CB -0.795 28.892 29.700 -0.022 0.000 0.750 1250 E HN 0.568 nan 8.360 nan 0.000 0.477 1251 V N 1.693 121.587 119.914 -0.033 0.000 2.426 1251 V HA 0.013 4.133 4.120 0.000 0.000 0.242 1251 V C 2.623 178.688 176.094 -0.048 0.000 1.036 1251 V CA 1.310 63.591 62.300 -0.032 0.000 1.044 1251 V CB -0.737 31.069 31.823 -0.028 0.000 0.688 1251 V HN 0.353 nan 8.190 nan 0.000 0.462 1252 A N 0.222 123.005 122.820 -0.062 0.000 1.978 1252 A HA -0.298 4.022 4.320 0.000 0.000 0.220 1252 A C 2.188 179.726 177.584 -0.076 0.000 1.170 1252 A CA 2.174 54.163 52.037 -0.079 0.000 0.636 1252 A CB -0.528 18.421 19.000 -0.085 0.000 0.810 1252 A HN 0.698 nan 8.150 nan 0.000 0.448 1253 E N 0.740 120.903 120.200 -0.061 0.000 2.021 1253 E HA -0.270 4.080 4.350 0.000 0.000 0.200 1253 E C 1.627 178.188 176.600 -0.065 0.000 1.015 1253 E CA 1.842 58.208 56.400 -0.057 0.000 0.824 1253 E CB -0.230 29.445 29.700 -0.043 0.000 0.762 1253 E HN 0.699 nan 8.360 nan 0.000 0.454 1254 K N 0.800 121.166 120.400 -0.057 0.000 2.525 1254 K HA 0.075 4.395 4.320 0.000 0.000 0.192 1254 K C 0.889 177.441 176.600 -0.080 0.000 1.029 1254 K CA -0.046 56.205 56.287 -0.059 0.000 1.029 1254 K CB -0.247 32.228 32.500 -0.041 0.000 0.814 1254 K HN 0.240 nan 8.250 nan 0.000 0.503 1255 L N 3.191 124.354 121.223 -0.100 0.000 2.700 1255 L HA -0.014 4.326 4.340 0.000 0.000 0.272 1255 L C -0.470 176.270 176.870 -0.217 0.000 1.176 1255 L CA 0.193 54.945 54.840 -0.147 0.000 0.961 1255 L CB 0.409 42.358 42.059 -0.183 0.000 1.249 1255 L HN -0.067 nan 8.230 nan 0.000 0.487 1256 V N 4.793 124.584 119.914 -0.205 0.000 2.461 1256 V HA 0.257 4.377 4.120 0.000 0.000 0.275 1256 V C 0.741 176.558 176.094 -0.462 0.000 1.047 1256 V CA -0.362 61.786 62.300 -0.254 0.000 0.955 1256 V CB 1.510 33.240 31.823 -0.154 0.000 0.988 1256 V HN 0.904 nan 8.190 nan 0.000 0.471 1257 T N 1.979 116.149 114.554 -0.640 0.000 2.937 1257 T HA 0.953 5.303 4.350 0.000 0.000 0.283 1257 T C 0.007 174.324 174.700 -0.638 0.000 1.012 1257 T CA -0.187 61.201 62.100 -1.187 0.000 0.997 1257 T CB 2.142 70.009 68.868 -1.668 0.000 1.136 1257 T HN 1.140 nan 8.240 nan 0.000 0.551 1258 G N -0.073 108.452 108.800 -0.459 0.000 2.441 1258 G HA2 0.577 4.537 3.960 0.000 0.000 0.294 1258 G HA3 0.577 4.537 3.960 0.000 0.000 0.294 1258 G C -3.419 171.634 174.900 0.255 0.000 1.393 1258 G CA -1.148 43.929 45.100 -0.038 0.000 0.796 1258 G HN 0.690 nan 8.290 nan 0.000 0.494 1259 P HA 0.267 nan 4.420 nan 0.000 0.268 1259 P C 0.390 177.775 177.300 0.143 0.000 1.204 1259 P CA -0.090 63.104 63.100 0.157 0.000 0.768 1259 P CB 0.941 32.688 31.700 0.078 0.000 0.842 1260 S N 2.747 118.500 115.700 0.087 0.000 2.549 1260 S HA 0.140 4.610 4.470 0.000 0.000 0.283 1260 S C 1.082 175.672 174.600 -0.017 0.000 1.320 1260 S CA -0.413 57.782 58.200 -0.009 0.000 1.058 1260 S CB 0.114 63.234 63.200 -0.132 0.000 0.882 1260 S HN 0.315 nan 8.310 nan 0.000 0.498 1261 L N 0.637 121.841 121.223 -0.031 0.000 2.209 1261 L HA 0.330 4.670 4.340 0.000 0.000 0.207 1261 L C 1.316 178.152 176.870 -0.057 0.000 1.094 1261 L CA 0.772 55.591 54.840 -0.034 0.000 0.790 1261 L CB -0.096 41.943 42.059 -0.034 0.000 0.932 1261 L HN 0.774 nan 8.230 nan 0.000 0.447 1262 E N 0.092 120.240 120.200 -0.088 0.000 2.380 1262 E HA 0.367 4.717 4.350 0.000 0.000 0.281 1262 E C -1.634 174.880 176.600 -0.143 0.000 0.999 1262 E CA -0.472 55.870 56.400 -0.097 0.000 0.800 1262 E CB 2.409 32.056 29.700 -0.089 0.000 1.228 1262 E HN -0.104 nan 8.360 nan 0.000 0.436 1263 K N 0.898 121.225 120.400 -0.121 0.000 2.523 1263 K HA 0.562 4.882 4.320 0.000 0.000 0.257 1263 K C -1.442 175.114 176.600 -0.074 0.000 0.932 1263 K CA -0.593 55.602 56.287 -0.152 0.000 0.812 1263 K CB 2.011 34.420 32.500 -0.152 0.000 1.326 1263 K HN 0.681 nan 8.250 nan 0.000 0.433 1264 S N 1.203 116.872 115.700 -0.051 0.000 2.615 1264 S HA 0.567 5.037 4.470 0.000 0.000 0.268 1264 S C -1.304 173.325 174.600 0.049 0.000 1.146 1264 S CA -0.965 57.242 58.200 0.012 0.000 0.818 1264 S CB 0.891 64.109 63.200 0.030 0.000 1.111 1264 S HN 0.447 nan 8.310 nan 0.000 0.465 1265 I N 1.223 121.835 120.570 0.069 0.000 2.418 1265 I HA 0.654 4.824 4.170 0.000 0.000 0.287 1265 I C -0.118 176.067 176.117 0.113 0.000 1.008 1265 I CA -0.919 60.438 61.300 0.096 0.000 1.104 1265 I CB 1.771 39.812 38.000 0.068 0.000 1.264 1265 I HN 0.934 nan 8.210 nan 0.000 0.438 1266 A N 8.982 131.889 122.820 0.146 0.000 2.258 1266 A HA 0.746 5.066 4.320 0.000 0.000 0.316 1266 A C -2.579 175.037 177.584 0.053 0.000 1.279 1266 A CA -1.561 50.529 52.037 0.088 0.000 0.876 1266 A CB 0.430 19.469 19.000 0.065 0.000 1.170 1266 A HN 0.363 nan 8.150 nan 0.000 0.520 1267 P HA 0.389 nan 4.420 nan 0.000 0.278 1267 P C -0.914 176.353 177.300 -0.055 0.000 1.238 1267 P CA -0.296 62.819 63.100 0.024 0.000 0.794 1267 P CB 1.060 32.783 31.700 0.039 0.000 0.955 1268 L N 3.537 124.731 121.223 -0.048 0.000 2.307 1268 L HA 0.580 4.920 4.340 0.000 0.000 0.282 1268 L C 1.060 178.000 176.870 0.115 0.000 1.051 1268 L CA 0.080 54.871 54.840 -0.082 0.000 0.804 1268 L CB 0.772 42.715 42.059 -0.194 0.000 1.197 1268 L HN 0.552 nan 8.230 nan 0.000 0.431 1269 R N 0.752 121.302 120.500 0.084 0.000 2.716 1269 R HA 0.786 5.126 4.340 0.000 0.000 0.271 1269 R C -1.520 174.848 176.300 0.113 0.000 1.028 1269 R CA -0.715 55.430 56.100 0.075 0.000 0.883 1269 R CB 1.542 31.771 30.300 -0.118 0.000 1.250 1269 R HN 0.432 nan 8.270 nan 0.000 0.465 1270 S N 0.915 116.677 115.700 0.105 0.000 2.513 1270 S HA 0.768 5.238 4.470 0.000 0.000 0.299 1270 S C -1.724 172.948 174.600 0.121 0.000 1.087 1270 S CA -0.545 57.731 58.200 0.126 0.000 1.012 1270 S CB 1.118 64.431 63.200 0.188 0.000 1.044 1270 S HN 0.461 nan 8.310 nan 0.000 0.485 1271 F N 2.467 122.370 119.950 -0.078 0.000 2.622 1271 F HA 0.617 5.144 4.527 0.000 0.000 0.318 1271 F C -1.910 173.870 175.800 -0.033 0.000 1.135 1271 F CA -0.432 57.545 58.000 -0.038 0.000 1.015 1271 F CB 0.948 39.877 39.000 -0.118 0.000 1.275 1271 F HN 0.364 nan 8.300 nan 0.000 0.457 1272 V N 5.927 125.571 119.914 -0.450 0.000 2.733 1272 V HA 0.667 4.787 4.120 0.000 0.000 0.306 1272 V C -0.992 174.962 176.094 -0.232 0.000 1.084 1272 V CA -0.804 61.309 62.300 -0.311 0.000 0.905 1272 V CB 1.965 33.375 31.823 -0.688 0.000 1.010 1272 V HN 0.769 nan 8.190 nan 0.000 0.424 1273 V N 1.314 121.204 119.914 -0.039 0.000 2.667 1273 V HA 0.809 4.929 4.120 0.000 0.000 0.308 1273 V C -0.598 175.587 176.094 0.150 0.000 1.048 1273 V CA -0.607 61.737 62.300 0.072 0.000 0.928 1273 V CB 1.986 33.888 31.823 0.132 0.000 1.004 1273 V HN 0.927 nan 8.190 nan 0.000 0.444 1274 E N 4.277 124.609 120.200 0.219 0.000 2.260 1274 E HA 0.475 4.825 4.350 0.000 0.000 0.266 1274 E C -2.777 173.913 176.600 0.150 0.000 0.887 1274 E CA -1.690 54.836 56.400 0.210 0.000 0.777 1274 E CB 3.183 33.078 29.700 0.326 0.000 1.205 1274 E HN 0.679 nan 8.360 nan 0.000 0.414 1275 P HA 0.177 nan 4.420 nan 0.000 0.297 1275 P C -0.095 177.278 177.300 0.122 0.000 1.303 1275 P CA -0.324 62.845 63.100 0.115 0.000 0.753 1275 P CB 1.026 32.789 31.700 0.105 0.000 1.281 1276 M N -1.168 118.519 119.600 0.146 0.000 2.589 1276 M HA 0.128 4.608 4.480 0.000 0.000 0.344 1276 M C 0.484 176.930 176.300 0.243 0.000 1.168 1276 M CA 0.144 55.560 55.300 0.193 0.000 0.956 1276 M CB 0.129 32.852 32.600 0.204 0.000 1.370 1276 M HN 0.366 nan 8.290 nan 0.000 0.518 1277 Q N -1.055 118.832 119.800 0.145 0.000 2.648 1277 Q HA 0.479 4.819 4.340 0.000 0.000 0.300 1277 Q C -1.366 174.643 176.000 0.016 0.000 0.954 1277 Q CA -0.994 54.804 55.803 -0.007 0.000 0.757 1277 Q CB 2.083 30.762 28.738 -0.099 0.000 1.482 1277 Q HN 0.208 nan 8.270 nan 0.000 0.437 1278 H N -1.135 117.782 119.070 -0.255 0.000 3.218 1278 H HA 0.405 4.961 4.556 0.000 0.000 0.300 1278 H C 0.093 175.292 175.328 -0.215 0.000 1.304 1278 H CA 1.052 56.998 56.048 -0.170 0.000 1.562 1278 H CB 0.857 30.560 29.762 -0.098 0.000 2.216 1278 H HN 1.135 nan 8.280 nan 0.000 0.371 1279 G N 4.082 112.572 108.800 -0.516 0.000 2.629 1279 G HA2 -0.371 3.589 3.960 0.000 0.000 0.313 1279 G HA3 -0.371 3.589 3.960 0.000 0.000 0.313 1279 G C 0.733 175.454 174.900 -0.298 0.000 1.217 1279 G CA 0.468 45.330 45.100 -0.397 0.000 0.994 1279 G HN 0.602 nan 8.290 nan 0.000 0.549 1280 R N 0.004 120.405 120.500 -0.165 0.000 2.320 1280 R HA 0.282 4.622 4.340 0.000 0.000 0.211 1280 R C 0.757 177.071 176.300 0.023 0.000 0.931 1280 R CA 0.067 56.204 56.100 0.061 0.000 1.071 1280 R CB -0.752 29.594 30.300 0.077 0.000 1.025 1280 R HN 0.441 nan 8.270 nan 0.000 0.495 1281 L N 0.592 121.674 121.223 -0.235 0.000 2.295 1281 L HA 0.479 4.819 4.340 0.000 0.000 0.285 1281 L C -1.151 175.484 176.870 -0.392 0.000 1.035 1281 L CA -0.510 54.248 54.840 -0.137 0.000 0.806 1281 L CB 0.634 42.657 42.059 -0.061 0.000 1.214 1281 L HN -0.170 nan 8.230 nan 0.000 0.426 1282 F N 5.382 125.316 119.950 -0.028 0.000 2.518 1282 F HA 0.536 5.063 4.527 0.000 0.000 0.323 1282 F C -0.398 175.394 175.800 -0.012 0.000 1.129 1282 F CA -0.626 57.317 58.000 -0.096 0.000 0.920 1282 F CB 1.486 40.234 39.000 -0.420 0.000 1.160 1282 F HN 0.265 nan 8.300 nan 0.000 0.440 1283 L N 3.354 124.731 121.223 0.257 0.000 2.357 1283 L HA 0.882 5.222 4.340 0.000 0.000 0.273 1283 L C 0.012 177.051 176.870 0.282 0.000 1.080 1283 L CA -0.761 54.200 54.840 0.203 0.000 0.803 1283 L CB 1.254 43.405 42.059 0.153 0.000 1.174 1283 L HN 0.747 nan 8.230 nan 0.000 0.443 1284 A N 1.227 124.143 122.820 0.160 0.000 2.549 1284 A HA 0.825 5.145 4.320 0.000 0.000 0.297 1284 A C 0.023 177.609 177.584 0.003 0.000 1.061 1284 A CA 0.085 52.220 52.037 0.163 0.000 0.690 1284 A CB 1.423 20.537 19.000 0.190 0.000 1.287 1284 A HN 1.051 nan 8.150 nan 0.000 0.402 1285 G N 1.284 110.046 108.800 -0.065 0.000 2.539 1285 G HA2 -0.207 3.754 3.960 0.000 0.000 0.256 1285 G HA3 -0.207 3.754 3.960 0.000 0.000 0.256 1285 G C 0.303 174.934 174.900 -0.449 0.000 1.233 1285 G CA 0.797 45.800 45.100 -0.161 0.000 0.936 1285 G HN 0.893 nan 8.290 nan 0.000 0.571 1286 D N 0.767 121.039 120.400 -0.213 0.000 2.354 1286 D HA 0.176 4.816 4.640 0.000 0.000 0.216 1286 D C 2.541 178.778 176.300 -0.104 0.000 0.970 1286 D CA 1.950 55.854 54.000 -0.160 0.000 0.905 1286 D CB -0.456 40.311 40.800 -0.055 0.000 0.903 1286 D HN 0.870 nan 8.370 nan 0.000 0.508 1287 A N 0.057 122.811 122.820 -0.109 0.000 2.016 1287 A HA 0.185 4.505 4.320 0.000 0.000 0.217 1287 A C 2.127 179.707 177.584 -0.007 0.000 1.162 1287 A CA 1.477 53.484 52.037 -0.050 0.000 0.662 1287 A CB -0.083 18.901 19.000 -0.027 0.000 0.812 1287 A HN 0.224 nan 8.150 nan 0.000 0.450 1288 A N -1.087 121.666 122.820 -0.110 0.000 2.140 1288 A HA 0.465 4.785 4.320 0.000 0.000 0.209 1288 A C 0.584 178.240 177.584 0.120 0.000 1.181 1288 A CA 0.971 53.017 52.037 0.015 0.000 0.824 1288 A CB -0.057 18.961 19.000 0.029 0.000 0.879 1288 A HN 0.861 nan 8.150 nan 0.000 0.480 1289 H N -3.162 116.019 119.070 0.185 0.000 3.024 1289 H HA 0.686 5.242 4.556 0.000 0.000 0.324 1289 H C -1.524 173.833 175.328 0.050 0.000 1.347 1289 H CA -1.288 54.861 56.048 0.168 0.000 1.182 1289 H CB 0.299 30.034 29.762 -0.045 0.000 1.889 1289 H HN -0.074 nan 8.280 nan 0.000 0.528 1290 I N 2.003 122.679 120.570 0.176 0.000 2.647 1290 I HA 0.542 4.712 4.170 0.000 0.000 0.295 1290 I C -0.250 175.871 176.117 0.006 0.000 1.078 1290 I CA -1.016 60.271 61.300 -0.021 0.000 1.048 1290 I CB 1.910 39.713 38.000 -0.329 0.000 1.239 1290 I HN 0.758 nan 8.210 nan 0.000 0.421 1291 V N 3.171 123.070 119.914 -0.025 0.000 2.823 1291 V HA 0.738 4.858 4.120 0.000 0.000 0.312 1291 V C -2.690 173.343 176.094 -0.102 0.000 1.072 1291 V CA -2.117 60.168 62.300 -0.025 0.000 0.937 1291 V CB 1.844 33.656 31.823 -0.018 0.000 1.013 1291 V HN 0.563 nan 8.190 nan 0.000 0.430 1292 P HA 0.280 nan 4.420 nan 0.000 0.271 1292 P C -2.227 174.854 177.300 -0.364 0.000 1.218 1292 P CA -1.446 61.467 63.100 -0.313 0.000 0.780 1292 P CB 0.503 31.953 31.700 -0.417 0.000 0.901 1293 P HA -0.085 nan 4.420 nan 0.000 0.234 1293 P C 1.036 178.204 177.300 -0.220 0.000 1.167 1293 P CA 0.959 63.759 63.100 -0.500 0.000 0.763 1293 P CB -0.485 30.785 31.700 -0.718 0.000 0.835 1294 T N -0.384 114.059 114.554 -0.184 0.000 2.737 1294 T HA -0.122 4.228 4.350 0.000 0.000 0.269 1294 T C 2.058 176.885 174.700 0.212 0.000 1.040 1294 T CA 1.878 64.143 62.100 0.275 0.000 1.142 1294 T CB -0.986 67.908 68.868 0.043 0.000 0.861 1294 T HN 0.249 nan 8.240 nan 0.000 0.456 1295 G N 0.317 109.138 108.800 0.034 0.000 2.880 1295 G HA2 0.367 4.327 3.960 0.000 0.000 0.209 1295 G HA3 0.367 4.327 3.960 0.000 0.000 0.209 1295 G C 0.772 175.780 174.900 0.180 0.000 1.157 1295 G CA 0.219 45.374 45.100 0.092 0.000 0.779 1295 G HN 0.834 nan 8.290 nan 0.000 0.539 1296 A N -0.252 122.657 122.820 0.148 0.000 2.667 1296 A HA -0.142 4.178 4.320 0.000 0.000 0.298 1296 A C 1.504 179.099 177.584 0.019 0.000 1.483 1296 A CA 1.457 53.552 52.037 0.097 0.000 0.738 1296 A CB -1.466 17.603 19.000 0.114 0.000 1.067 1296 A HN 0.339 nan 8.150 nan 0.000 0.451 1297 K N -1.392 119.025 120.400 0.028 0.000 2.435 1297 K HA 0.136 4.456 4.320 0.000 0.000 0.199 1297 K C 2.162 178.770 176.600 0.014 0.000 1.153 1297 K CA 0.841 57.139 56.287 0.019 0.000 0.974 1297 K CB -0.198 32.332 32.500 0.050 0.000 0.997 1297 K HN 0.665 nan 8.250 nan 0.000 0.547 1298 G N 2.536 111.345 108.800 0.014 0.000 2.553 1298 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 1298 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 1298 G C 1.447 176.381 174.900 0.056 0.000 1.195 1298 G CA 1.011 46.132 45.100 0.036 0.000 0.779 1298 G HN 0.201 nan 8.290 nan 0.000 0.577 1299 L N 1.266 122.515 121.223 0.043 0.000 2.056 1299 L HA 0.037 4.377 4.340 0.000 0.000 0.207 1299 L C 2.327 179.231 176.870 0.056 0.000 1.078 1299 L CA 1.771 56.641 54.840 0.051 0.000 0.749 1299 L CB -0.803 41.286 42.059 0.050 0.000 0.901 1299 L HN 0.176 nan 8.230 nan 0.000 0.433 1300 N N -0.393 118.335 118.700 0.047 0.000 2.166 1300 N HA -0.192 4.548 4.740 0.000 0.000 0.186 1300 N C 1.959 177.477 175.510 0.012 0.000 1.019 1300 N CA 1.522 54.602 53.050 0.049 0.000 0.856 1300 N CB -0.213 38.300 38.487 0.042 0.000 0.993 1300 N HN 0.403 nan 8.380 nan 0.000 0.426 1301 L N 0.993 122.216 121.223 0.001 0.000 2.056 1301 L HA -0.083 4.257 4.340 0.000 0.000 0.207 1301 L C 2.472 179.371 176.870 0.047 0.000 1.078 1301 L CA 0.709 55.525 54.840 -0.041 0.000 0.749 1301 L CB -0.415 41.600 42.059 -0.073 0.000 0.901 1301 L HN 0.103 nan 8.230 nan 0.000 0.433 1302 A N 0.002 122.890 122.820 0.114 0.000 1.917 1302 A HA -0.261 4.059 4.320 0.000 0.000 0.219 1302 A C 2.469 180.097 177.584 0.073 0.000 1.182 1302 A CA 1.910 54.011 52.037 0.107 0.000 0.633 1302 A CB -0.700 18.345 19.000 0.075 0.000 0.819 1302 A HN 0.468 nan 8.150 nan 0.000 0.448 1303 A N 0.125 122.979 122.820 0.058 0.000 1.902 1303 A HA -0.104 4.217 4.320 0.000 0.000 0.217 1303 A C 2.543 180.155 177.584 0.047 0.000 1.181 1303 A CA 2.470 54.552 52.037 0.074 0.000 0.623 1303 A CB -0.945 18.125 19.000 0.117 0.000 0.818 1303 A HN 1.065 nan 8.150 nan 0.000 0.443 1304 S N -0.138 115.501 115.700 -0.100 0.000 2.406 1304 S HA -0.140 4.330 4.470 0.000 0.000 0.228 1304 S C 1.406 175.942 174.600 -0.108 0.000 1.020 1304 S CA 1.291 59.304 58.200 -0.312 0.000 0.965 1304 S CB -0.434 62.309 63.200 -0.761 0.000 0.798 1304 S HN 0.474 nan 8.310 nan 0.000 0.488 1305 D N 1.875 122.268 120.400 -0.012 0.000 2.084 1305 D HA -0.044 4.596 4.640 0.000 0.000 0.194 1305 D C 2.207 178.629 176.300 0.203 0.000 0.990 1305 D CA 1.249 55.308 54.000 0.100 0.000 0.826 1305 D CB -0.791 40.127 40.800 0.196 0.000 0.971 1305 D HN 0.313 nan 8.370 nan 0.000 0.453 1306 V N 0.764 120.770 119.914 0.152 0.000 2.287 1306 V HA -0.263 3.857 4.120 0.000 0.000 0.248 1306 V C 2.616 178.813 176.094 0.173 0.000 1.053 1306 V CA 2.002 64.389 62.300 0.145 0.000 1.027 1306 V CB -0.734 31.145 31.823 0.094 0.000 0.646 1306 V HN 0.204 nan 8.190 nan 0.000 0.447 1307 S N -0.514 115.282 115.700 0.160 0.000 2.372 1307 S HA -0.285 4.185 4.470 0.000 0.000 0.227 1307 S C 2.073 176.813 174.600 0.233 0.000 1.044 1307 S CA 2.631 60.961 58.200 0.216 0.000 1.050 1307 S CB -0.472 62.871 63.200 0.238 0.000 0.901 1307 S HN 0.723 nan 8.310 nan 0.000 0.447 1308 T N 2.176 116.836 114.554 0.176 0.000 2.777 1308 T HA -0.019 4.331 4.350 0.000 0.000 0.266 1308 T C 1.680 176.500 174.700 0.200 0.000 1.040 1308 T CA 1.291 63.491 62.100 0.167 0.000 1.141 1308 T CB -0.409 68.528 68.868 0.114 0.000 0.868 1308 T HN 0.286 nan 8.240 nan 0.000 0.444 1309 L N 0.545 121.918 121.223 0.249 0.000 2.056 1309 L HA 0.025 4.365 4.340 0.000 0.000 0.207 1309 L C 2.124 178.954 176.870 -0.066 0.000 1.078 1309 L CA 1.590 56.413 54.840 -0.028 0.000 0.749 1309 L CB -0.977 40.997 42.059 -0.142 0.000 0.901 1309 L HN 0.334 nan 8.230 nan 0.000 0.433 1310 Y N 0.529 120.800 120.300 -0.047 0.000 2.097 1310 Y HA -0.281 4.269 4.550 0.000 0.000 0.282 1310 Y C 2.689 178.569 175.900 -0.032 0.000 1.152 1310 Y CA 2.055 60.133 58.100 -0.038 0.000 1.136 1310 Y CB -0.384 38.080 38.460 0.006 0.000 0.975 1310 Y HN 0.112 nan 8.280 nan 0.000 0.498 1311 R N 0.099 120.495 120.500 -0.174 0.000 2.103 1311 R HA -0.172 4.168 4.340 0.000 0.000 0.242 1311 R C 2.322 178.475 176.300 -0.246 0.000 1.142 1311 R CA 2.099 58.030 56.100 -0.282 0.000 0.960 1311 R CB -0.550 29.726 30.300 -0.041 0.000 0.858 1311 R HN 0.414 nan 8.270 nan 0.000 0.439 1312 L N 0.120 121.237 121.223 -0.176 0.000 2.217 1312 L HA -0.106 4.234 4.340 0.000 0.000 0.211 1312 L C 2.148 178.855 176.870 -0.272 0.000 1.107 1312 L CA 0.764 55.490 54.840 -0.189 0.000 0.783 1312 L CB -0.246 41.716 42.059 -0.160 0.000 0.919 1312 L HN 0.202 nan 8.230 nan 0.000 0.442 1313 L N -0.705 120.328 121.223 -0.317 0.000 2.109 1313 L HA -0.199 4.141 4.340 0.000 0.000 0.207 1313 L C 2.487 179.298 176.870 -0.098 0.000 1.086 1313 L CA 0.932 55.608 54.840 -0.273 0.000 0.760 1313 L CB -0.270 41.677 42.059 -0.187 0.000 0.910 1313 L HN 0.280 nan 8.230 nan 0.000 0.437 1314 L N -0.239 120.855 121.223 -0.216 0.000 2.017 1314 L HA -0.250 4.090 4.340 0.000 0.000 0.208 1314 L C 2.740 179.558 176.870 -0.086 0.000 1.073 1314 L CA 1.508 56.248 54.840 -0.166 0.000 0.745 1314 L CB -0.268 41.572 42.059 -0.364 0.000 0.894 1314 L HN 0.268 nan 8.230 nan 0.000 0.432 1315 K N -0.478 119.845 120.400 -0.128 0.000 2.057 1315 K HA -0.183 4.137 4.320 0.000 0.000 0.207 1315 K C 2.080 178.633 176.600 -0.078 0.000 1.049 1315 K CA 1.412 57.646 56.287 -0.087 0.000 0.931 1315 K CB -0.200 32.246 32.500 -0.089 0.000 0.714 1315 K HN 0.329 nan 8.250 nan 0.000 0.440 1316 A N 0.559 123.298 122.820 -0.135 0.000 1.877 1316 A HA -0.178 4.142 4.320 0.000 0.000 0.216 1316 A C 1.933 179.426 177.584 -0.152 0.000 1.186 1316 A CA 1.405 53.337 52.037 -0.176 0.000 0.620 1316 A CB -0.665 18.136 19.000 -0.332 0.000 0.822 1316 A HN 0.266 nan 8.150 nan 0.000 0.443 1317 Y N -1.252 119.036 120.300 -0.020 0.000 2.314 1317 Y HA 0.084 4.634 4.550 0.000 0.000 0.294 1317 Y C 2.216 178.113 175.900 -0.006 0.000 1.119 1317 Y CA 1.423 59.531 58.100 0.013 0.000 1.179 1317 Y CB -0.002 38.465 38.460 0.011 0.000 1.025 1317 Y HN 0.231 nan 8.280 nan 0.000 0.541 1318 R N 0.650 121.226 120.500 0.126 0.000 2.555 1318 R HA 0.098 4.438 4.340 0.000 0.000 0.272 1318 R C -0.148 176.169 176.300 0.028 0.000 1.089 1318 R CA 0.524 56.662 56.100 0.062 0.000 1.126 1318 R CB -0.094 30.222 30.300 0.027 0.000 1.250 1318 R HN 0.341 nan 8.270 nan 0.000 0.551 1319 E N -2.228 117.986 120.200 0.023 0.000 2.422 1319 E HA 0.054 4.405 4.350 0.000 0.000 0.146 1319 E C 0.307 176.907 176.600 -0.000 0.000 0.861 1319 E CA 0.349 56.752 56.400 0.005 0.000 1.354 1319 E CB 0.961 30.656 29.700 -0.009 0.000 1.294 1319 E HN 0.389 nan 8.360 nan 0.000 0.586 1320 G N 2.495 111.295 108.800 0.000 0.000 2.200 1320 G HA2 -0.352 3.608 3.960 0.000 0.000 0.268 1320 G HA3 -0.352 3.608 3.960 0.000 0.000 0.268 1320 G C 0.450 175.337 174.900 -0.023 0.000 0.986 1320 G CA 0.551 45.645 45.100 -0.011 0.000 0.677 1320 G HN 0.042 nan 8.290 nan 0.000 0.532 1321 R N 0.905 121.386 120.500 -0.031 0.000 4.113 1321 R HA 0.246 4.587 4.340 0.000 0.000 0.179 1321 R C 1.736 178.010 176.300 -0.042 0.000 1.781 1321 R CA 0.325 56.407 56.100 -0.030 0.000 1.402 1321 R CB -0.489 29.791 30.300 -0.033 0.000 1.375 1321 R HN 0.351 nan 8.270 nan 0.000 0.786 1322 G N 1.693 110.482 108.800 -0.018 0.000 2.484 1322 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 1322 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 1322 G C 1.185 176.107 174.900 0.037 0.000 1.130 1322 G CA 0.125 45.233 45.100 0.014 0.000 0.784 1322 G HN 0.415 nan 8.290 nan 0.000 0.543 1323 E N 0.760 120.976 120.200 0.027 0.000 2.478 1323 E HA 0.095 4.445 4.350 0.000 0.000 0.194 1323 E C 2.023 178.645 176.600 0.037 0.000 1.045 1323 E CA -0.079 56.346 56.400 0.041 0.000 0.868 1323 E CB -0.554 29.164 29.700 0.031 0.000 0.885 1323 E HN 0.402 nan 8.360 nan 0.000 0.505 1324 L N 0.248 121.477 121.223 0.010 0.000 2.376 1324 L HA 0.052 4.392 4.340 0.000 0.000 0.219 1324 L C 2.158 179.038 176.870 0.017 0.000 1.133 1324 L CA 0.415 55.257 54.840 0.003 0.000 0.816 1324 L CB -0.090 41.953 42.059 -0.027 0.000 0.933 1324 L HN 0.133 nan 8.230 nan 0.000 0.449 1325 L N -0.838 120.394 121.223 0.015 0.000 2.551 1325 L HA -0.142 4.198 4.340 0.000 0.000 0.228 1325 L C 2.075 179.098 176.870 0.256 0.000 1.153 1325 L CA 0.522 55.397 54.840 0.059 0.000 0.851 1325 L CB -0.256 41.798 42.059 -0.008 0.000 0.959 1325 L HN 0.269 nan 8.230 nan 0.000 0.451 1326 E N 0.126 120.429 120.200 0.171 0.000 2.150 1326 E HA -0.164 4.186 4.350 0.000 0.000 0.193 1326 E C 1.930 178.630 176.600 0.167 0.000 0.985 1326 E CA 0.704 57.202 56.400 0.162 0.000 0.814 1326 E CB 0.083 29.841 29.700 0.098 0.000 0.752 1326 E HN 0.431 nan 8.360 nan 0.000 0.466 1327 R N -0.337 120.249 120.500 0.143 0.000 2.323 1327 R HA -0.058 4.282 4.340 0.000 0.000 0.198 1327 R C 1.706 178.095 176.300 0.148 0.000 0.988 1327 R CA 0.177 56.347 56.100 0.116 0.000 1.041 1327 R CB -0.111 30.232 30.300 0.071 0.000 0.926 1327 R HN 0.257 nan 8.270 nan 0.000 0.476 1328 Y N 1.620 121.979 120.300 0.097 0.000 2.053 1328 Y HA -0.334 4.216 4.550 0.000 0.000 0.277 1328 Y C 2.269 178.230 175.900 0.103 0.000 1.159 1328 Y CA 2.015 60.176 58.100 0.102 0.000 1.125 1328 Y CB -0.418 38.159 38.460 0.194 0.000 0.969 1328 Y HN -0.085 nan 8.280 nan 0.000 0.492 1329 S N 0.560 116.308 115.700 0.080 0.000 2.359 1329 S HA -0.320 4.150 4.470 0.000 0.000 0.222 1329 S C 2.283 176.833 174.600 -0.083 0.000 1.038 1329 S CA 1.588 59.758 58.200 -0.051 0.000 1.051 1329 S CB -1.184 62.074 63.200 0.097 0.000 0.944 1329 S HN 0.695 nan 8.310 nan 0.000 0.433 1330 A N 1.288 124.103 122.820 -0.008 0.000 1.892 1330 A HA -0.128 4.192 4.320 0.000 0.000 0.218 1330 A C 2.117 179.676 177.584 -0.041 0.000 1.188 1330 A CA 1.591 53.625 52.037 -0.006 0.000 0.631 1330 A CB -0.841 18.171 19.000 0.020 0.000 0.822 1330 A HN 0.505 nan 8.150 nan 0.000 0.447 1331 I N -0.665 119.866 120.570 -0.064 0.000 2.142 1331 I HA -0.332 3.838 4.170 0.000 0.000 0.240 1331 I C 2.575 178.608 176.117 -0.139 0.000 1.078 1331 I CA 1.379 62.632 61.300 -0.078 0.000 1.343 1331 I CB -0.562 37.402 38.000 -0.061 0.000 1.046 1331 I HN 0.399 nan 8.210 nan 0.000 0.405 1332 C N 0.693 119.839 119.300 -0.256 0.000 2.432 1332 C HA -0.120 4.340 4.460 0.000 0.000 0.277 1332 C C 2.726 177.591 174.990 -0.208 0.000 1.249 1332 C CA 0.428 59.274 59.018 -0.286 0.000 1.725 1332 C CB -1.058 26.404 27.740 -0.464 0.000 2.028 1332 C HN 0.453 nan 8.230 nan 0.000 0.477 1333 L N 0.400 121.530 121.223 -0.155 0.000 2.187 1333 L HA -0.194 4.146 4.340 0.000 0.000 0.213 1333 L C 2.846 179.719 176.870 0.005 0.000 1.100 1333 L CA 1.433 56.217 54.840 -0.092 0.000 0.765 1333 L CB -0.609 41.468 42.059 0.029 0.000 0.904 1333 L HN 0.377 nan 8.230 nan 0.000 0.437 1334 R N -0.430 120.066 120.500 -0.006 0.000 2.081 1334 R HA -0.171 4.169 4.340 0.000 0.000 0.235 1334 R C 2.428 178.722 176.300 -0.009 0.000 1.131 1334 R CA 1.400 57.513 56.100 0.021 0.000 0.960 1334 R CB -0.237 30.061 30.300 -0.005 0.000 0.856 1334 R HN 0.283 nan 8.270 nan 0.000 0.436 1335 R N 0.718 121.167 120.500 -0.085 0.000 2.093 1335 R HA -0.003 4.338 4.340 0.000 0.000 0.224 1335 R C 2.168 178.375 176.300 -0.154 0.000 1.101 1335 R CA 0.845 56.876 56.100 -0.115 0.000 0.979 1335 R CB -0.107 30.082 30.300 -0.185 0.000 0.877 1335 R HN 0.104 nan 8.270 nan 0.000 0.441 1336 I N -0.468 119.950 120.570 -0.252 0.000 2.091 1336 I HA -0.340 3.830 4.170 0.000 0.000 0.239 1336 I C 1.793 177.703 176.117 -0.344 0.000 1.061 1336 I CA 1.787 62.830 61.300 -0.429 0.000 1.317 1336 I CB -0.333 37.292 38.000 -0.625 0.000 1.031 1336 I HN 0.328 nan 8.210 nan 0.000 0.401 1337 W N 1.196 122.396 121.300 -0.166 0.000 2.374 1337 W HA -0.185 4.475 4.660 0.000 0.000 0.288 1337 W C 2.602 179.080 176.519 -0.068 0.000 1.218 1337 W CA 0.871 58.134 57.345 -0.136 0.000 1.245 1337 W CB -0.179 29.182 29.460 -0.164 0.000 1.126 1337 W HN 0.001 nan 8.180 nan 0.000 0.545 1338 K N -0.129 120.361 120.400 0.150 0.000 2.057 1338 K HA -0.134 4.186 4.320 0.000 0.000 0.207 1338 K C 2.263 178.939 176.600 0.127 0.000 1.049 1338 K CA 1.460 57.815 56.287 0.114 0.000 0.931 1338 K CB -0.579 31.950 32.500 0.049 0.000 0.714 1338 K HN 0.114 nan 8.250 nan 0.000 0.440 1339 A N 1.651 124.502 122.820 0.052 0.000 1.898 1339 A HA -0.162 4.158 4.320 0.000 0.000 0.216 1339 A C 1.954 179.616 177.584 0.130 0.000 1.181 1339 A CA 1.255 53.339 52.037 0.079 0.000 0.620 1339 A CB -0.233 18.745 19.000 -0.036 0.000 0.819 1339 A HN 0.162 nan 8.150 nan 0.000 0.442 1340 E N -0.229 120.008 120.200 0.061 0.000 2.058 1340 E HA -0.227 4.123 4.350 0.000 0.000 0.194 1340 E C 2.217 179.002 176.600 0.308 0.000 0.997 1340 E CA 1.285 57.754 56.400 0.115 0.000 0.801 1340 E CB -0.395 29.300 29.700 -0.010 0.000 0.746 1340 E HN 0.663 nan 8.360 nan 0.000 0.450 1341 R N 0.030 120.735 120.500 0.341 0.000 2.070 1341 R HA -0.166 4.174 4.340 0.000 0.000 0.233 1341 R C 2.397 179.031 176.300 0.558 0.000 1.137 1341 R CA 1.458 57.828 56.100 0.450 0.000 0.945 1341 R CB -0.543 29.949 30.300 0.320 0.000 0.845 1341 R HN 0.132 nan 8.270 nan 0.000 0.430 1342 F N 1.617 121.722 119.950 0.259 0.000 2.126 1342 F HA -0.183 4.344 4.527 0.000 0.000 0.299 1342 F C 2.303 178.251 175.800 0.246 0.000 1.096 1342 F CA 1.976 60.111 58.000 0.225 0.000 1.255 1342 F CB -0.480 38.589 39.000 0.115 0.000 0.997 1342 F HN 0.013 nan 8.300 nan 0.000 0.479 1343 S N -0.368 115.407 115.700 0.125 0.000 2.368 1343 S HA -0.265 4.205 4.470 0.000 0.000 0.225 1343 S C 1.611 176.179 174.600 -0.054 0.000 1.030 1343 S CA 1.386 59.557 58.200 -0.049 0.000 0.999 1343 S CB -1.097 62.130 63.200 0.044 0.000 0.844 1343 S HN 0.749 nan 8.310 nan 0.000 0.459 1344 W N 1.084 122.400 121.300 0.027 0.000 2.358 1344 W HA -0.139 4.521 4.660 0.000 0.000 0.303 1344 W C 1.948 178.491 176.519 0.040 0.000 1.208 1344 W CA 1.009 58.406 57.345 0.087 0.000 1.274 1344 W CB -0.685 28.888 29.460 0.188 0.000 1.138 1344 W HN 0.388 nan 8.180 nan 0.000 0.515 1345 W N 1.017 121.934 121.300 -0.640 0.000 2.354 1345 W HA -0.243 4.417 4.660 0.000 0.000 0.315 1345 W C 2.410 178.493 176.519 -0.726 0.000 1.206 1345 W CA 2.816 59.592 57.345 -0.949 0.000 1.290 1345 W CB -0.789 28.420 29.460 -0.419 0.000 1.152 1345 W HN -0.217 nan 8.180 nan 0.000 0.489 1346 M N 0.212 119.465 119.600 -0.579 0.000 2.082 1346 M HA -0.234 4.246 4.480 0.000 0.000 0.258 1346 M C 1.836 177.792 176.300 -0.574 0.000 1.069 1346 M CA 2.457 57.358 55.300 -0.665 0.000 1.102 1346 M CB -1.916 30.316 32.600 -0.614 0.000 1.336 1346 M HN 0.015 nan 8.290 nan 0.000 0.404 1347 T N 0.916 115.189 114.554 -0.468 0.000 2.684 1347 T HA -0.109 4.241 4.350 0.000 0.000 0.267 1347 T C 1.936 176.533 174.700 -0.171 0.000 1.036 1347 T CA 2.059 63.973 62.100 -0.310 0.000 1.148 1347 T CB -0.401 68.148 68.868 -0.532 0.000 0.863 1347 T HN 0.590 nan 8.240 nan 0.000 0.436 1348 S N 1.903 117.337 115.700 -0.443 0.000 2.402 1348 S HA -0.078 4.392 4.470 0.000 0.000 0.229 1348 S C 2.268 176.678 174.600 -0.316 0.000 1.021 1348 S CA 1.134 59.152 58.200 -0.303 0.000 0.974 1348 S CB -0.875 61.898 63.200 -0.711 0.000 0.800 1348 S HN 0.540 nan 8.310 nan 0.000 0.484 1349 V N -1.298 118.236 119.914 -0.634 0.000 3.406 1349 V HA 0.348 4.468 4.120 0.000 0.000 0.263 1349 V C 1.688 177.595 176.094 -0.312 0.000 1.172 1349 V CA 0.569 62.538 62.300 -0.552 0.000 1.140 1349 V CB -0.820 30.452 31.823 -0.918 0.000 0.784 1349 V HN 0.463 nan 8.190 nan 0.000 0.467 1350 L N -0.920 120.163 121.223 -0.232 0.000 2.515 1350 L HA 0.405 4.745 4.340 0.000 0.000 0.223 1350 L C 0.808 177.613 176.870 -0.109 0.000 1.079 1350 L CA 0.126 54.888 54.840 -0.130 0.000 0.857 1350 L CB -0.075 41.898 42.059 -0.143 0.000 1.050 1350 L HN 0.398 nan 8.230 nan 0.000 0.476 1351 H N -0.218 118.755 119.070 -0.161 0.000 2.544 1351 H HA 0.445 5.001 4.556 0.000 0.000 0.342 1351 H C -0.269 175.020 175.328 -0.064 0.000 1.185 1351 H CA -0.745 55.120 56.048 -0.305 0.000 1.264 1351 H CB 0.825 30.001 29.762 -0.976 0.000 1.607 1351 H HN -0.218 nan 8.280 nan 0.000 0.550 1352 R N 1.608 122.120 120.500 0.020 0.000 2.265 1352 R HA 0.290 4.630 4.340 0.000 0.000 0.319 1352 R C -1.099 175.319 176.300 0.196 0.000 1.006 1352 R CA -0.553 55.649 56.100 0.170 0.000 0.880 1352 R CB -0.205 30.162 30.300 0.112 0.000 1.077 1352 R HN 0.394 nan 8.270 nan 0.000 0.454 1353 F N 3.502 123.593 119.950 0.235 0.000 2.425 1353 F HA 0.433 4.960 4.527 0.000 0.000 0.331 1353 F C -1.372 174.544 175.800 0.194 0.000 1.085 1353 F CA -2.408 55.769 58.000 0.295 0.000 1.028 1353 F CB 0.774 39.919 39.000 0.242 0.000 1.177 1353 F HN 0.337 nan 8.300 nan 0.000 0.487 1354 P HA 0.034 nan 4.420 nan 0.000 0.269 1354 P C -0.717 176.699 177.300 0.192 0.000 1.209 1354 P CA -0.120 63.109 63.100 0.216 0.000 0.776 1354 P CB 0.431 32.233 31.700 0.170 0.000 0.876 1355 D N -0.193 120.294 120.400 0.145 0.000 2.971 1355 D HA -0.149 4.492 4.640 0.000 0.000 0.212 1355 D C -0.910 175.464 176.300 0.124 0.000 1.243 1355 D CA 0.654 54.725 54.000 0.118 0.000 0.781 1355 D CB -2.074 38.782 40.800 0.094 0.000 0.894 1355 D HN 0.226 nan 8.370 nan 0.000 0.392 1356 T N 1.580 116.214 114.554 0.132 0.000 2.794 1356 T HA 0.310 4.660 4.350 0.000 0.000 0.280 1356 T C 0.393 175.153 174.700 0.100 0.000 0.987 1356 T CA -0.776 61.396 62.100 0.119 0.000 0.993 1356 T CB 1.831 70.784 68.868 0.142 0.000 0.939 1356 T HN 0.409 nan 8.240 nan 0.000 0.449 1357 D N 1.966 122.425 120.400 0.099 0.000 2.398 1357 D HA 0.319 4.959 4.640 0.000 0.000 0.247 1357 D C 1.426 177.792 176.300 0.110 0.000 1.227 1357 D CA -0.604 53.457 54.000 0.102 0.000 0.980 1357 D CB 0.610 41.475 40.800 0.109 0.000 1.106 1357 D HN 0.430 nan 8.370 nan 0.000 0.493 1358 A N 0.597 123.483 122.820 0.109 0.000 1.883 1358 A HA -0.186 4.134 4.320 0.000 0.000 0.217 1358 A C 2.061 179.719 177.584 0.124 0.000 1.186 1358 A CA 1.605 53.703 52.037 0.102 0.000 0.624 1358 A CB -1.195 17.863 19.000 0.095 0.000 0.822 1358 A HN 0.634 nan 8.150 nan 0.000 0.444 1359 F N 0.689 120.655 119.950 0.026 0.000 2.102 1359 F HA -0.173 4.355 4.527 0.000 0.000 0.298 1359 F C 2.751 178.565 175.800 0.023 0.000 1.105 1359 F CA 2.002 60.016 58.000 0.024 0.000 1.239 1359 F CB -0.356 38.656 39.000 0.021 0.000 0.991 1359 F HN 0.244 nan 8.300 nan 0.000 0.474 1360 S N -0.204 115.575 115.700 0.131 0.000 2.370 1360 S HA -0.271 4.199 4.470 0.000 0.000 0.226 1360 S C 1.970 176.524 174.600 -0.076 0.000 1.033 1360 S CA 1.842 60.048 58.200 0.009 0.000 1.011 1360 S CB -0.443 62.808 63.200 0.086 0.000 0.852 1360 S HN 0.654 nan 8.310 nan 0.000 0.457 1361 Q N -0.137 119.648 119.800 -0.025 0.000 2.119 1361 Q HA 0.012 4.352 4.340 0.000 0.000 0.201 1361 Q C 2.564 178.526 176.000 -0.064 0.000 0.972 1361 Q CA 0.846 56.637 55.803 -0.021 0.000 0.847 1361 Q CB -0.157 28.594 28.738 0.021 0.000 0.903 1361 Q HN 0.384 nan 8.270 nan 0.000 0.433 1362 R N 0.437 120.875 120.500 -0.104 0.000 2.092 1362 R HA -0.079 4.261 4.340 0.000 0.000 0.231 1362 R C 2.157 178.345 176.300 -0.186 0.000 1.119 1362 R CA 0.832 56.860 56.100 -0.121 0.000 0.970 1362 R CB -0.230 29.994 30.300 -0.127 0.000 0.864 1362 R HN 0.286 nan 8.270 nan 0.000 0.440 1363 I N 1.122 121.495 120.570 -0.329 0.000 2.226 1363 I HA -0.267 3.903 4.170 0.000 0.000 0.245 1363 I C 2.538 178.567 176.117 -0.147 0.000 1.100 1363 I CA 1.236 62.350 61.300 -0.311 0.000 1.374 1363 I CB -1.093 36.646 38.000 -0.435 0.000 1.057 1363 I HN 0.276 nan 8.210 nan 0.000 0.413 1364 Q N 0.551 120.272 119.800 -0.131 0.000 2.096 1364 Q HA -0.274 4.066 4.340 0.000 0.000 0.204 1364 Q C 2.289 178.230 176.000 -0.098 0.000 0.982 1364 Q CA 1.946 57.681 55.803 -0.114 0.000 0.850 1364 Q CB -0.076 28.606 28.738 -0.093 0.000 0.901 1364 Q HN 0.554 nan 8.270 nan 0.000 0.422 1365 Q N -0.625 119.141 119.800 -0.055 0.000 2.084 1365 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 1365 Q C 1.700 177.700 176.000 -0.000 0.000 0.978 1365 Q CA 1.920 57.722 55.803 -0.001 0.000 0.844 1365 Q CB -0.010 28.760 28.738 0.053 0.000 0.898 1365 Q HN 0.367 nan 8.270 nan 0.000 0.426 1366 T N 1.408 115.960 114.554 -0.004 0.000 2.833 1366 T HA -0.114 4.236 4.350 0.000 0.000 0.269 1366 T C 1.501 176.254 174.700 0.088 0.000 1.054 1366 T CA 1.169 63.291 62.100 0.036 0.000 1.135 1366 T CB -0.099 68.765 68.868 -0.006 0.000 0.869 1366 T HN 0.330 nan 8.240 nan 0.000 0.466 1367 E N 1.059 121.309 120.200 0.084 0.000 2.051 1367 E HA -0.051 4.299 4.350 0.000 0.000 0.192 1367 E C 2.335 179.104 176.600 0.282 0.000 0.991 1367 E CA 0.850 57.410 56.400 0.266 0.000 0.799 1367 E CB -0.388 29.416 29.700 0.173 0.000 0.748 1367 E HN 0.465 nan 8.360 nan 0.000 0.449 1368 L N 0.863 122.044 121.223 -0.070 0.000 2.012 1368 L HA -0.218 4.122 4.340 0.000 0.000 0.210 1368 L C 2.468 179.173 176.870 -0.274 0.000 1.073 1368 L CA 1.369 55.981 54.840 -0.379 0.000 0.748 1368 L CB -0.449 40.953 42.059 -1.095 0.000 0.891 1368 L HN 0.118 nan 8.230 nan 0.000 0.431 1369 E N -0.822 119.314 120.200 -0.107 0.000 2.070 1369 E HA -0.301 4.050 4.350 0.000 0.000 0.197 1369 E C 2.025 178.712 176.600 0.146 0.000 1.004 1369 E CA 1.971 58.463 56.400 0.153 0.000 0.805 1369 E CB -0.273 29.552 29.700 0.208 0.000 0.744 1369 E HN 0.464 nan 8.360 nan 0.000 0.451 1370 Y N -0.169 120.150 120.300 0.032 0.000 2.133 1370 Y HA -0.275 4.275 4.550 0.000 0.000 0.287 1370 Y C 1.843 177.691 175.900 -0.087 0.000 1.134 1370 Y CA 1.592 59.661 58.100 -0.052 0.000 1.133 1370 Y CB -0.204 38.173 38.460 -0.137 0.000 0.987 1370 Y HN 0.035 nan 8.280 nan 0.000 0.502 1371 Y N -0.860 119.443 120.300 0.005 0.000 2.497 1371 Y HA -0.119 4.431 4.550 0.000 0.000 0.292 1371 Y C 1.386 177.246 175.900 -0.067 0.000 1.137 1371 Y CA 0.475 58.534 58.100 -0.068 0.000 1.285 1371 Y CB 0.051 38.644 38.460 0.223 0.000 0.991 1371 Y HN 0.194 nan 8.280 nan 0.000 0.556 1372 L N -2.106 119.167 121.223 0.083 0.000 2.693 1372 L HA 0.316 4.656 4.340 0.000 0.000 0.235 1372 L C 1.898 178.802 176.870 0.057 0.000 1.127 1372 L CA 0.523 55.418 54.840 0.091 0.000 0.914 1372 L CB -0.112 42.036 42.059 0.148 0.000 1.193 1372 L HN 0.121 nan 8.230 nan 0.000 0.502 1373 G N -1.856 106.934 108.800 -0.017 0.000 3.274 1373 G HA2 0.130 4.090 3.960 0.000 0.000 0.250 1373 G HA3 0.130 4.090 3.960 0.000 0.000 0.250 1373 G C 0.314 175.152 174.900 -0.104 0.000 1.024 1373 G CA 0.497 45.586 45.100 -0.019 0.000 0.840 1373 G HN 0.240 nan 8.290 nan 0.000 0.522 1374 S N -0.138 115.408 115.700 -0.256 0.000 2.482 1374 S HA 0.413 4.883 4.470 0.000 0.000 0.303 1374 S C 0.868 175.328 174.600 -0.233 0.000 1.091 1374 S CA -0.376 57.644 58.200 -0.299 0.000 1.057 1374 S CB 2.002 64.820 63.200 -0.637 0.000 1.031 1374 S HN -0.003 nan 8.310 nan 0.000 0.485 1375 E N 3.248 123.368 120.200 -0.132 0.000 2.058 1375 E HA -0.142 4.208 4.350 0.000 0.000 0.194 1375 E C 2.238 178.781 176.600 -0.095 0.000 0.997 1375 E CA 1.765 58.114 56.400 -0.086 0.000 0.801 1375 E CB -0.762 28.909 29.700 -0.048 0.000 0.746 1375 E HN 0.828 nan 8.360 nan 0.000 0.450 1376 A N 0.961 123.715 122.820 -0.109 0.000 1.902 1376 A HA -0.072 4.248 4.320 0.000 0.000 0.217 1376 A C 2.497 180.015 177.584 -0.111 0.000 1.181 1376 A CA 1.945 53.936 52.037 -0.078 0.000 0.623 1376 A CB -1.029 17.951 19.000 -0.033 0.000 0.818 1376 A HN 0.342 nan 8.150 nan 0.000 0.443 1377 G N -0.199 108.419 108.800 -0.303 0.000 2.421 1377 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 1377 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 1377 G C 1.568 176.471 174.900 0.004 0.000 1.171 1377 G CA 1.022 45.923 45.100 -0.332 0.000 0.775 1377 G HN 0.419 nan 8.290 nan 0.000 0.543 1378 L N 0.674 121.861 121.223 -0.060 0.000 2.042 1378 L HA -0.092 4.248 4.340 0.000 0.000 0.210 1378 L C 3.400 180.283 176.870 0.023 0.000 1.076 1378 L CA 1.080 55.929 54.840 0.014 0.000 0.749 1378 L CB -0.293 41.758 42.059 -0.014 0.000 0.893 1378 L HN 0.319 nan 8.230 nan 0.000 0.432 1379 A N -0.240 122.578 122.820 -0.004 0.000 1.933 1379 A HA -0.218 4.102 4.320 0.000 0.000 0.218 1379 A C 2.404 179.984 177.584 -0.006 0.000 1.175 1379 A CA 2.136 54.171 52.037 -0.004 0.000 0.628 1379 A CB -0.915 18.078 19.000 -0.012 0.000 0.814 1379 A HN 0.540 nan 8.150 nan 0.000 0.444 1380 T N -1.905 112.656 114.554 0.011 0.000 2.951 1380 T HA 0.010 4.360 4.350 0.000 0.000 0.268 1380 T C 1.785 176.439 174.700 -0.077 0.000 1.073 1380 T CA 1.305 63.392 62.100 -0.022 0.000 1.134 1380 T CB -0.480 68.404 68.868 0.026 0.000 0.884 1380 T HN 0.357 nan 8.240 nan 0.000 0.479 1381 I N 1.653 122.221 120.570 -0.003 0.000 2.233 1381 I HA 0.026 4.197 4.170 0.000 0.000 0.243 1381 I C 3.224 179.347 176.117 0.010 0.000 1.093 1381 I CA 0.993 62.329 61.300 0.061 0.000 1.380 1381 I CB -0.608 37.498 38.000 0.176 0.000 1.067 1381 I HN 0.316 nan 8.210 nan 0.000 0.413 1382 A N 1.472 124.306 122.820 0.025 0.000 1.877 1382 A HA -0.261 4.060 4.320 0.000 0.000 0.216 1382 A C 2.245 179.826 177.584 -0.005 0.000 1.186 1382 A CA 2.095 54.156 52.037 0.039 0.000 0.620 1382 A CB -0.856 18.165 19.000 0.035 0.000 0.822 1382 A HN 0.640 nan 8.150 nan 0.000 0.443 1383 E N -0.642 119.525 120.200 -0.055 0.000 2.204 1383 E HA -0.183 4.167 4.350 0.000 0.000 0.194 1383 E C 1.496 177.995 176.600 -0.168 0.000 0.989 1383 E CA 1.224 57.578 56.400 -0.077 0.000 0.824 1383 E CB -0.367 29.295 29.700 -0.063 0.000 0.756 1383 E HN 0.583 nan 8.360 nan 0.000 0.477 1384 N N -0.191 118.311 118.700 -0.330 0.000 2.290 1384 N HA -0.104 4.636 4.740 0.000 0.000 0.179 1384 N C 1.504 176.597 175.510 -0.696 0.000 1.016 1384 N CA 0.822 53.471 53.050 -0.668 0.000 0.871 1384 N CB -0.216 37.508 38.487 -1.270 0.000 0.987 1384 N HN 0.230 nan 8.380 nan 0.000 0.431 1385 Y N 2.176 122.142 120.300 -0.557 0.000 2.242 1385 Y HA -0.135 4.415 4.550 0.000 0.000 0.291 1385 Y C 2.201 178.075 175.900 -0.043 0.000 1.137 1385 Y CA 1.038 59.032 58.100 -0.176 0.000 1.181 1385 Y CB -0.100 38.388 38.460 0.047 0.000 0.989 1385 Y HN -0.112 nan 8.280 nan 0.000 0.527 1386 V N -1.680 118.254 119.914 0.032 0.000 3.510 1386 V HA 0.382 4.502 4.120 0.000 0.000 0.270 1386 V C 0.771 176.846 176.094 -0.032 0.000 1.201 1386 V CA 0.413 62.728 62.300 0.024 0.000 1.166 1386 V CB -1.210 30.647 31.823 0.058 0.000 0.825 1386 V HN 0.564 nan 8.190 nan 0.000 0.484 1387 G N 0.374 109.122 108.800 -0.087 0.000 3.172 1387 G HA2 -0.046 3.914 3.960 0.000 0.000 0.686 1387 G HA3 -0.046 3.914 3.960 0.000 0.000 0.686 1387 G C -0.931 173.954 174.900 -0.024 0.000 1.009 1387 G CA -0.381 44.690 45.100 -0.049 0.000 0.787 1387 G HN 0.358 nan 8.290 nan 0.000 0.559 1388 L N 4.016 125.222 121.223 -0.029 0.000 2.476 1388 L HA 0.484 4.824 4.340 0.000 0.000 0.264 1388 L C -0.879 176.030 176.870 0.064 0.000 1.224 1388 L CA -1.444 53.391 54.840 -0.009 0.000 0.821 1388 L CB -0.180 41.866 42.059 -0.021 0.000 1.101 1388 L HN 0.578 nan 8.230 nan 0.000 0.488 1389 P HA 0.006 nan 4.420 nan 0.000 0.271 1389 P C -0.574 176.841 177.300 0.191 0.000 1.220 1389 P CA -0.038 63.119 63.100 0.094 0.000 0.768 1389 P CB 0.047 31.773 31.700 0.043 0.000 0.848 1390 Y N 0.513 120.805 120.300 -0.013 0.000 2.709 1390 Y HA -0.126 4.424 4.550 0.000 0.000 0.348 1390 Y C 2.020 177.915 175.900 -0.008 0.000 1.267 1390 Y CA -0.275 57.819 58.100 -0.009 0.000 1.486 1390 Y CB 0.470 38.931 38.460 0.001 0.000 1.356 1390 Y HN 0.498 nan 8.280 nan 0.000 0.639 1391 E N 0.714 120.985 120.200 0.119 0.000 4.505 1391 E HA -0.104 4.246 4.350 0.000 0.000 0.553 1391 E C 1.022 177.666 176.600 0.074 0.000 1.022 1391 E CA 0.735 57.173 56.400 0.063 0.000 3.619 1391 E CB 0.223 29.930 29.700 0.012 0.000 2.034 1391 E HN 0.752 nan 8.360 nan 0.000 0.479 1392 E N -0.411 119.816 120.200 0.046 0.000 2.414 1392 E HA 0.214 4.564 4.350 0.000 0.000 0.208 1392 E C -0.139 176.484 176.600 0.040 0.000 0.820 1392 E CA 0.060 56.486 56.400 0.043 0.000 1.143 1392 E CB 0.449 30.166 29.700 0.028 0.000 1.150 1392 E HN 0.440 nan 8.360 nan 0.000 0.540 1393 I N 2.231 122.819 120.570 0.030 0.000 8.633 1393 I HA -0.283 3.887 4.170 0.000 0.000 0.126 1393 I C -0.573 175.556 176.117 0.020 0.000 1.860 1393 I CA 0.926 62.242 61.300 0.027 0.000 2.037 1393 I CB -0.498 37.525 38.000 0.038 0.000 3.867 1393 I HN 0.510 nan 8.210 nan 0.000 0.169 1394 E N 0.000 120.211 120.200 0.019 0.000 2.725 1394 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1394 E CA 0.000 56.409 56.400 0.016 0.000 0.976 1394 E CB 0.000 29.706 29.700 0.010 0.000 0.812 1394 E HN 0.000 nan 8.360 nan 0.000 0.440