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 3lvp_1_C DATA FIRST_RESID 987 DATA SEQUENCE YVPDEWEVAR EKITMSRELG QGSFGMVYEG VAKGVVKDEP ETRVAIKTVN DATA SEQUENCE EAASMRERIE FLNEASVMKE FNCHHVVRLL GVVSQGQPTL VIMELMTRGD DATA SEQUENCE LKSYLRSLRP EXXXXXVLAP PSLSKMIQMA GEIADGMAYL NANKFVHRDL DATA SEQUENCE AARNCMVAED FTVKIGDFGM TRDIYETDYY RKXXKGLLPV RWMSPESLKD DATA SEQUENCE GVFTTYSDVW SFGVVLWEIA TLAEQPYQGL SNEQVLRFVM EGGLLDKPDN DATA SEQUENCE CPDMLFELMR MCWQYNPKMR PSFLEIISSI KEEMEPGFRE VSFYYSEENK 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 987 Y HA 0.000 nan 4.550 nan 0.000 0.201 987 Y C 0.000 175.903 175.900 0.005 0.000 1.272 987 Y CA 0.000 58.103 58.100 0.006 0.000 1.940 987 Y CB 0.000 38.466 38.460 0.010 0.000 1.050 988 V N 3.541 123.463 119.914 0.013 0.000 2.353 988 V HA 0.580 4.701 4.120 0.001 0.000 0.264 988 V C -1.772 174.341 176.094 0.031 0.000 1.049 988 V CA -1.847 60.453 62.300 -0.000 0.000 0.896 988 V CB 0.627 32.424 31.823 -0.043 0.000 1.025 988 V HN 0.327 nan 8.190 nan 0.000 0.475 989 P HA 0.234 nan 4.420 nan 0.000 0.273 989 P C -0.893 176.439 177.300 0.053 0.000 1.248 989 P CA 0.235 63.368 63.100 0.055 0.000 0.817 989 P CB 0.364 32.094 31.700 0.050 0.000 0.995 990 D N -2.924 117.518 120.400 0.071 0.000 3.522 990 D HA -0.039 4.601 4.640 0.001 0.000 0.363 990 D C 0.248 176.596 176.300 0.081 0.000 1.509 990 D CA -0.501 53.548 54.000 0.082 0.000 0.907 990 D CB -0.371 40.497 40.800 0.114 0.000 1.485 990 D HN 0.368 nan 8.370 nan 0.000 0.560 991 E N -0.728 119.526 120.200 0.090 0.000 2.333 991 E HA -0.045 4.305 4.350 0.001 0.000 0.198 991 E C 0.717 177.197 176.600 -0.200 0.000 1.007 991 E CA 1.093 57.454 56.400 -0.065 0.000 0.845 991 E CB -0.174 29.456 29.700 -0.118 0.000 0.766 991 E HN 0.401 nan 8.360 nan 0.000 0.507 992 W N 1.260 122.538 121.300 -0.038 0.000 2.907 992 W HA 0.190 4.851 4.660 0.001 0.000 0.271 992 W C 0.706 177.207 176.519 -0.030 0.000 1.253 992 W CA -0.620 56.701 57.345 -0.040 0.000 1.501 992 W CB 0.256 29.681 29.460 -0.058 0.000 1.047 992 W HN -0.119 nan 8.180 nan 0.000 0.610 993 E N 1.611 121.910 120.200 0.164 0.000 2.452 993 E HA 0.209 4.559 4.350 0.001 0.000 0.261 993 E C -0.155 176.478 176.600 0.055 0.000 0.987 993 E CA 0.181 56.640 56.400 0.099 0.000 0.926 993 E CB 0.616 30.360 29.700 0.072 0.000 0.934 993 E HN -0.032 nan 8.360 nan 0.000 0.452 994 V N 1.019 120.962 119.914 0.049 0.000 3.040 994 V HA 0.850 4.971 4.120 0.001 0.000 0.312 994 V C -0.322 175.784 176.094 0.019 0.000 1.115 994 V CA -0.795 61.519 62.300 0.024 0.000 0.998 994 V CB 1.705 33.544 31.823 0.026 0.000 1.042 994 V HN 0.795 nan 8.190 nan 0.000 0.433 995 A N 3.283 126.107 122.820 0.007 0.000 2.444 995 A HA 0.404 4.725 4.320 0.001 0.000 0.273 995 A C 1.164 178.749 177.584 0.002 0.000 1.136 995 A CA -0.014 52.025 52.037 0.003 0.000 0.799 995 A CB -0.151 18.847 19.000 -0.003 0.000 1.081 995 A HN 1.162 nan 8.150 nan 0.000 0.509 996 R N 1.797 122.297 120.500 -0.000 0.000 2.389 996 R HA 0.003 4.343 4.340 0.001 0.000 0.210 996 R C -0.436 175.856 176.300 -0.014 0.000 1.157 996 R CA 0.808 56.904 56.100 -0.008 0.000 1.169 996 R CB 0.073 30.365 30.300 -0.013 0.000 1.004 996 R HN 0.700 nan 8.270 nan 0.000 0.482 997 E N 1.376 121.570 120.200 -0.011 0.000 2.290 997 E HA 0.019 4.370 4.350 0.001 0.000 0.197 997 E C 0.930 177.524 176.600 -0.011 0.000 0.948 997 E CA 0.456 56.849 56.400 -0.012 0.000 0.895 997 E CB 0.211 29.905 29.700 -0.010 0.000 0.865 997 E HN 0.408 nan 8.360 nan 0.000 0.486 998 K N 0.675 121.070 120.400 -0.008 0.000 2.487 998 K HA 0.122 4.442 4.320 0.001 0.000 0.192 998 K C 0.337 176.934 176.600 -0.004 0.000 1.027 998 K CA 0.324 56.608 56.287 -0.007 0.000 1.054 998 K CB 0.585 33.081 32.500 -0.007 0.000 0.824 998 K HN -0.006 nan 8.250 nan 0.000 0.510 999 I N 1.979 122.546 120.570 -0.006 0.000 2.362 999 I HA 0.109 4.279 4.170 0.001 0.000 0.289 999 I C 0.056 176.162 176.117 -0.018 0.000 0.994 999 I CA -0.471 60.825 61.300 -0.006 0.000 1.158 999 I CB 1.190 39.188 38.000 -0.003 0.000 1.315 999 I HN -0.074 nan 8.210 nan 0.000 0.451 1000 T N 3.533 118.078 114.554 -0.014 0.000 2.864 1000 T HA 0.543 4.893 4.350 0.001 0.000 0.299 1000 T C -0.181 174.507 174.700 -0.019 0.000 1.011 1000 T CA -0.766 61.321 62.100 -0.022 0.000 0.975 1000 T CB 0.897 69.758 68.868 -0.011 0.000 0.962 1000 T HN 0.397 nan 8.240 nan 0.000 0.448 1001 M N 3.514 123.082 119.600 -0.052 0.000 2.522 1001 M HA 0.132 4.612 4.480 0.001 0.000 0.333 1001 M C 1.462 177.778 176.300 0.027 0.000 1.632 1001 M CA -0.245 55.029 55.300 -0.042 0.000 1.293 1001 M CB 0.158 32.624 32.600 -0.224 0.000 1.857 1001 M HN 0.758 nan 8.290 nan 0.000 0.456 1002 S N 3.263 118.999 115.700 0.060 0.000 2.348 1002 S HA -0.066 4.404 4.470 0.001 0.000 0.221 1002 S C 0.658 175.311 174.600 0.089 0.000 1.033 1002 S CA 1.183 59.420 58.200 0.062 0.000 1.010 1002 S CB 0.055 63.287 63.200 0.053 0.000 0.891 1002 S HN 0.802 nan 8.310 nan 0.000 0.442 1003 R N 0.146 120.726 120.500 0.134 0.000 2.709 1003 R HA 0.415 4.755 4.340 0.001 0.000 0.270 1003 R C -1.718 174.669 176.300 0.145 0.000 1.038 1003 R CA -0.843 55.336 56.100 0.132 0.000 0.872 1003 R CB 0.956 31.297 30.300 0.068 0.000 1.259 1003 R HN -0.020 nan 8.270 nan 0.000 0.473 1004 E N 0.567 120.800 120.200 0.054 0.000 2.425 1004 E HA 0.041 4.391 4.350 0.001 0.000 0.258 1004 E C -0.054 176.477 176.600 -0.116 0.000 1.151 1004 E CA 0.163 56.464 56.400 -0.165 0.000 0.958 1004 E CB 0.764 30.351 29.700 -0.188 0.000 0.968 1004 E HN 0.466 nan 8.360 nan 0.000 0.451 1005 L N -0.476 120.638 121.223 -0.182 0.000 2.815 1005 L HA 0.312 4.653 4.340 0.001 0.000 0.241 1005 L C 0.506 177.326 176.870 -0.083 0.000 1.047 1005 L CA 0.406 55.194 54.840 -0.086 0.000 0.939 1005 L CB 1.055 43.087 42.059 -0.045 0.000 1.490 1005 L HN 0.709 nan 8.230 nan 0.000 0.510 1006 G N -0.013 108.710 108.800 -0.127 0.000 2.358 1006 G HA2 0.172 4.132 3.960 0.001 0.000 0.301 1006 G HA3 0.172 4.132 3.960 0.001 0.000 0.301 1006 G C -1.927 172.918 174.900 -0.091 0.000 1.539 1006 G CA -0.623 44.425 45.100 -0.085 0.000 0.893 1006 G HN -0.176 nan 8.290 nan 0.000 0.636 1007 Q N 0.789 120.551 119.800 -0.063 0.000 2.369 1007 Q HA 0.562 4.903 4.340 0.001 0.000 0.247 1007 Q C 0.856 176.845 176.000 -0.018 0.000 1.083 1007 Q CA 0.709 56.483 55.803 -0.047 0.000 0.905 1007 Q CB 0.425 29.140 28.738 -0.039 0.000 1.305 1007 Q HN 1.007 nan 8.270 nan 0.000 0.465 1008 G N 1.843 110.646 108.800 0.005 0.000 2.508 1008 G HA2 0.201 4.161 3.960 0.001 0.000 0.278 1008 G HA3 0.201 4.161 3.960 0.001 0.000 0.278 1008 G C 0.503 175.417 174.900 0.023 0.000 1.389 1008 G CA -0.014 45.109 45.100 0.038 0.000 1.050 1008 G HN 0.670 nan 8.290 nan 0.000 0.522 1009 S N -0.579 115.143 115.700 0.037 0.000 2.380 1009 S HA -0.117 4.353 4.470 0.001 0.000 0.217 1009 S C 2.018 176.522 174.600 -0.160 0.000 1.036 1009 S CA 1.619 59.764 58.200 -0.092 0.000 1.050 1009 S CB -0.526 62.587 63.200 -0.146 0.000 1.016 1009 S HN 0.409 nan 8.310 nan 0.000 0.419 1010 F N 1.841 121.803 119.950 0.019 0.000 2.365 1010 F HA 0.275 4.803 4.527 0.001 0.000 0.300 1010 F C 1.512 177.243 175.800 -0.116 0.000 1.090 1010 F CA 0.700 58.663 58.000 -0.062 0.000 1.408 1010 F CB -0.299 38.613 39.000 -0.147 0.000 1.060 1010 F HN 0.414 nan 8.300 nan 0.000 0.534 1011 G N -1.059 107.785 108.800 0.073 0.000 2.313 1011 G HA2 0.313 4.274 3.960 0.001 0.000 0.296 1011 G HA3 0.313 4.274 3.960 0.001 0.000 0.296 1011 G C -1.505 173.415 174.900 0.034 0.000 1.356 1011 G CA -1.191 43.923 45.100 0.023 0.000 0.833 1011 G HN -0.134 nan 8.290 nan 0.000 0.552 1012 M N 1.013 120.627 119.600 0.023 0.000 2.290 1012 M HA 0.388 4.869 4.480 0.001 0.000 0.356 1012 M C 0.144 176.433 176.300 -0.019 0.000 1.448 1012 M CA 0.143 55.412 55.300 -0.052 0.000 0.993 1012 M CB 0.229 32.767 32.600 -0.102 0.000 1.934 1012 M HN 0.442 nan 8.290 nan 0.000 0.461 1013 V N 7.141 126.991 119.914 -0.107 0.000 2.743 1013 V HA 0.446 4.566 4.120 0.001 0.000 0.301 1013 V C -0.604 175.385 176.094 -0.175 0.000 1.057 1013 V CA -0.463 61.840 62.300 0.005 0.000 1.006 1013 V CB 1.101 32.939 31.823 0.026 0.000 1.024 1013 V HN 0.802 nan 8.190 nan 0.000 0.473 1014 Y N 0.554 120.881 120.300 0.045 0.000 2.609 1014 Y HA 0.540 5.090 4.550 0.000 0.000 0.342 1014 Y C -0.022 175.898 175.900 0.034 0.000 1.058 1014 Y CA -0.876 57.244 58.100 0.034 0.000 1.055 1014 Y CB 1.918 40.395 38.460 0.029 0.000 1.292 1014 Y HN 0.659 nan 8.280 nan 0.000 0.476 1015 E N 0.851 121.175 120.200 0.207 0.000 2.187 1015 E HA 0.721 5.071 4.350 0.001 0.000 0.268 1015 E C -0.682 175.990 176.600 0.120 0.000 0.896 1015 E CA -0.534 55.939 56.400 0.122 0.000 0.766 1015 E CB 1.643 31.388 29.700 0.075 0.000 1.142 1015 E HN 0.850 nan 8.360 nan 0.000 0.408 1016 G N 1.633 110.482 108.800 0.082 0.000 2.578 1016 G HA2 0.422 4.382 3.960 0.001 0.000 0.302 1016 G HA3 0.422 4.382 3.960 0.001 0.000 0.302 1016 G C -1.431 173.492 174.900 0.038 0.000 1.243 1016 G CA -0.289 44.845 45.100 0.057 0.000 0.843 1016 G HN 0.450 nan 8.290 nan 0.000 0.486 1017 V N 0.056 119.985 119.914 0.025 0.000 2.735 1017 V HA 0.826 4.946 4.120 0.001 0.000 0.310 1017 V C -0.031 176.071 176.094 0.014 0.000 1.061 1017 V CA -0.358 61.953 62.300 0.018 0.000 0.913 1017 V CB 1.432 33.263 31.823 0.013 0.000 1.005 1017 V HN 1.571 nan 8.190 nan 0.000 0.428 1018 A N 3.536 126.364 122.820 0.014 0.000 2.343 1018 A HA 0.754 5.074 4.320 0.001 0.000 0.308 1018 A C -0.496 177.090 177.584 0.004 0.000 1.092 1018 A CA -0.801 51.242 52.037 0.011 0.000 0.751 1018 A CB 1.001 20.012 19.000 0.019 0.000 1.203 1018 A HN 0.812 nan 8.150 nan 0.000 0.452 1019 K N 1.525 121.924 120.400 -0.001 0.000 2.264 1019 K HA 0.537 4.858 4.320 0.001 0.000 0.277 1019 K C 0.799 177.392 176.600 -0.011 0.000 1.067 1019 K CA 0.191 56.474 56.287 -0.006 0.000 0.900 1019 K CB 1.187 33.683 32.500 -0.006 0.000 1.124 1019 K HN 1.477 nan 8.250 nan 0.000 0.469 1020 G N 1.193 109.984 108.800 -0.015 0.000 2.179 1020 G HA2 -0.317 3.644 3.960 0.001 0.000 0.220 1020 G HA3 -0.317 3.644 3.960 0.001 0.000 0.220 1020 G C 0.848 175.729 174.900 -0.032 0.000 0.990 1020 G CA 0.147 45.232 45.100 -0.024 0.000 0.646 1020 G HN 0.465 nan 8.290 nan 0.000 0.517 1021 V N -0.825 119.077 119.914 -0.021 0.000 2.594 1021 V HA 0.291 4.411 4.120 0.001 0.000 0.253 1021 V C 1.272 177.346 176.094 -0.033 0.000 1.069 1021 V CA 1.593 63.880 62.300 -0.021 0.000 1.082 1021 V CB -0.785 31.041 31.823 0.005 0.000 0.680 1021 V HN 1.669 nan 8.190 nan 0.000 0.469 1022 V N -2.695 117.203 119.914 -0.028 0.000 2.623 1022 V HA 0.537 4.658 4.120 0.001 0.000 0.304 1022 V C -0.212 175.863 176.094 -0.031 0.000 1.054 1022 V CA -1.524 60.758 62.300 -0.030 0.000 0.882 1022 V CB 1.482 33.297 31.823 -0.013 0.000 1.002 1022 V HN 0.344 nan 8.190 nan 0.000 0.424 1023 K N 2.224 122.600 120.400 -0.039 0.000 2.402 1023 K HA 0.040 4.360 4.320 0.001 0.000 0.265 1023 K C 0.447 177.032 176.600 -0.025 0.000 0.978 1023 K CA 1.033 57.298 56.287 -0.036 0.000 0.913 1023 K CB 0.094 32.569 32.500 -0.041 0.000 0.954 1023 K HN 0.980 nan 8.250 nan 0.000 0.511 1024 D N 0.700 121.086 120.400 -0.023 0.000 3.018 1024 D HA -0.190 4.450 4.640 0.001 0.000 0.224 1024 D C -1.010 175.282 176.300 -0.014 0.000 1.185 1024 D CA 1.385 55.374 54.000 -0.018 0.000 0.858 1024 D CB -0.684 40.106 40.800 -0.017 0.000 1.112 1024 D HN 0.577 nan 8.370 nan 0.000 0.415 1025 E N -1.244 118.947 120.200 -0.015 0.000 2.302 1025 E HA 0.218 4.568 4.350 0.001 0.000 0.263 1025 E C -1.998 174.596 176.600 -0.011 0.000 0.897 1025 E CA -1.551 54.843 56.400 -0.011 0.000 0.809 1025 E CB 2.352 32.047 29.700 -0.008 0.000 1.270 1025 E HN -0.120 nan 8.360 nan 0.000 0.410 1026 P HA -0.089 nan 4.420 nan 0.000 0.210 1026 P C -0.218 177.078 177.300 -0.006 0.000 1.192 1026 P CA 0.918 64.013 63.100 -0.009 0.000 0.913 1026 P CB 0.411 32.107 31.700 -0.007 0.000 0.774 1027 E N -0.261 119.937 120.200 -0.003 0.000 2.231 1027 E HA 0.395 4.745 4.350 0.001 0.000 0.277 1027 E C -0.444 176.157 176.600 0.002 0.000 0.999 1027 E CA 0.193 56.593 56.400 -0.000 0.000 0.827 1027 E CB 1.070 30.771 29.700 0.001 0.000 1.101 1027 E HN -0.032 nan 8.360 nan 0.000 0.393 1028 T N 2.466 117.023 114.554 0.005 0.000 2.971 1028 T HA 0.339 4.689 4.350 0.001 0.000 0.304 1028 T C -0.222 174.486 174.700 0.014 0.000 1.038 1028 T CA -0.808 61.297 62.100 0.008 0.000 1.007 1028 T CB 1.387 70.260 68.868 0.009 0.000 1.055 1028 T HN 0.124 nan 8.240 nan 0.000 0.451 1029 R N 2.290 122.799 120.500 0.014 0.000 2.267 1029 R HA 0.559 4.899 4.340 0.001 0.000 0.319 1029 R C -0.046 176.269 176.300 0.026 0.000 1.067 1029 R CA -0.320 55.791 56.100 0.019 0.000 0.936 1029 R CB 0.706 31.014 30.300 0.013 0.000 1.006 1029 R HN 0.544 nan 8.270 nan 0.000 0.452 1030 V N -1.125 118.810 119.914 0.035 0.000 3.130 1030 V HA 0.867 4.988 4.120 0.001 0.000 0.310 1030 V C -0.574 175.556 176.094 0.061 0.000 1.158 1030 V CA -1.303 61.025 62.300 0.046 0.000 1.029 1030 V CB 2.084 33.936 31.823 0.048 0.000 1.057 1030 V HN 0.740 nan 8.190 nan 0.000 0.436 1031 A N 2.956 125.819 122.820 0.071 0.000 2.305 1031 A HA 0.838 5.158 4.320 0.001 0.000 0.322 1031 A C -0.457 177.199 177.584 0.119 0.000 1.187 1031 A CA -0.626 51.468 52.037 0.094 0.000 0.825 1031 A CB 0.622 19.673 19.000 0.084 0.000 1.164 1031 A HN 0.843 nan 8.150 nan 0.000 0.498 1032 I N 2.457 123.125 120.570 0.163 0.000 2.361 1032 I HA 0.246 4.417 4.170 0.001 0.000 0.282 1032 I C 0.380 176.642 176.117 0.242 0.000 1.075 1032 I CA -0.274 61.132 61.300 0.177 0.000 1.205 1032 I CB 0.221 38.303 38.000 0.137 0.000 1.406 1032 I HN 0.657 nan 8.210 nan 0.000 0.481 1033 K N 4.870 125.412 120.400 0.237 0.000 2.349 1033 K HA 0.283 4.604 4.320 0.001 0.000 0.289 1033 K C 0.238 177.022 176.600 0.308 0.000 1.064 1033 K CA 0.014 56.484 56.287 0.305 0.000 0.947 1033 K CB 0.632 33.360 32.500 0.380 0.000 1.007 1033 K HN 0.751 nan 8.250 nan 0.000 0.478 1034 T N -0.439 114.212 114.554 0.162 0.000 2.912 1034 T HA 0.434 4.784 4.350 0.001 0.000 0.288 1034 T C -0.250 174.300 174.700 -0.250 0.000 1.030 1034 T CA -0.947 61.144 62.100 -0.015 0.000 1.020 1034 T CB 1.500 70.418 68.868 0.082 0.000 1.056 1034 T HN 0.116 nan 8.240 nan 0.000 0.480 1035 V N 2.922 122.584 119.914 -0.420 0.000 2.567 1035 V HA 0.362 4.482 4.120 0.001 0.000 0.289 1035 V C 0.809 176.812 176.094 -0.150 0.000 1.049 1035 V CA -1.010 61.045 62.300 -0.408 0.000 0.969 1035 V CB 0.982 32.506 31.823 -0.498 0.000 0.995 1035 V HN 1.043 nan 8.190 nan 0.000 0.471 1036 N N 2.824 121.479 118.700 -0.076 0.000 2.412 1036 N HA -0.052 4.689 4.740 0.001 0.000 0.258 1036 N C 1.383 176.872 175.510 -0.036 0.000 1.236 1036 N CA 0.644 53.676 53.050 -0.030 0.000 0.882 1036 N CB 0.626 39.106 38.487 -0.012 0.000 1.066 1036 N HN 0.852 nan 8.380 nan 0.000 0.465 1037 E N 2.980 123.165 120.200 -0.026 0.000 2.033 1037 E HA -0.253 4.097 4.350 0.001 0.000 0.199 1037 E C 0.638 177.223 176.600 -0.025 0.000 1.011 1037 E CA 1.522 57.904 56.400 -0.030 0.000 0.815 1037 E CB -0.416 29.272 29.700 -0.020 0.000 0.755 1037 E HN 0.550 nan 8.360 nan 0.000 0.451 1038 A N 1.312 124.123 122.820 -0.015 0.000 2.478 1038 A HA 0.449 4.770 4.320 0.001 0.000 0.239 1038 A C 0.465 178.046 177.584 -0.005 0.000 1.480 1038 A CA 0.367 52.398 52.037 -0.010 0.000 1.308 1038 A CB -0.881 18.116 19.000 -0.005 0.000 0.899 1038 A HN 0.423 nan 8.150 nan 0.000 0.600 1039 A N 0.357 123.173 122.820 -0.007 0.000 2.269 1039 A HA 0.681 5.001 4.320 0.001 0.000 0.319 1039 A C 0.783 178.374 177.584 0.012 0.000 1.110 1039 A CA 0.122 52.163 52.037 0.007 0.000 0.847 1039 A CB 0.367 19.374 19.000 0.012 0.000 1.161 1039 A HN 1.063 nan 8.150 nan 0.000 0.497 1040 S N 0.896 116.614 115.700 0.030 0.000 2.617 1040 S HA 0.305 4.776 4.470 0.001 0.000 0.269 1040 S C 1.084 175.711 174.600 0.046 0.000 1.292 1040 S CA 0.131 58.352 58.200 0.035 0.000 1.010 1040 S CB 0.617 63.843 63.200 0.042 0.000 0.944 1040 S HN 0.765 nan 8.310 nan 0.000 0.536 1041 M N 1.069 120.699 119.600 0.050 0.000 2.086 1041 M HA -0.095 4.385 4.480 0.001 0.000 0.261 1041 M C 2.480 178.833 176.300 0.089 0.000 1.067 1041 M CA 1.692 57.034 55.300 0.071 0.000 1.116 1041 M CB -0.309 32.349 32.600 0.096 0.000 1.348 1041 M HN 0.932 nan 8.290 nan 0.000 0.407 1042 R N 0.234 120.783 120.500 0.082 0.000 2.154 1042 R HA -0.225 4.116 4.340 0.001 0.000 0.248 1042 R C 1.748 178.116 176.300 0.113 0.000 1.155 1042 R CA 2.154 58.306 56.100 0.087 0.000 0.979 1042 R CB -0.350 29.994 30.300 0.074 0.000 0.869 1042 R HN 0.556 nan 8.270 nan 0.000 0.452 1043 E N 0.026 120.301 120.200 0.124 0.000 2.006 1043 E HA -0.177 4.173 4.350 0.001 0.000 0.192 1043 E C 2.230 178.932 176.600 0.169 0.000 0.993 1043 E CA 1.147 57.662 56.400 0.192 0.000 0.808 1043 E CB -0.059 29.744 29.700 0.173 0.000 0.764 1043 E HN 0.344 nan 8.360 nan 0.000 0.449 1044 R N 0.385 120.944 120.500 0.099 0.000 2.119 1044 R HA -0.190 4.150 4.340 0.001 0.000 0.246 1044 R C 2.428 178.791 176.300 0.105 0.000 1.146 1044 R CA 1.366 57.508 56.100 0.069 0.000 0.962 1044 R CB -0.414 29.905 30.300 0.031 0.000 0.863 1044 R HN 0.269 nan 8.270 nan 0.000 0.442 1045 I N 0.313 120.945 120.570 0.102 0.000 2.286 1045 I HA -0.276 3.894 4.170 0.001 0.000 0.248 1045 I C 2.586 178.729 176.117 0.044 0.000 1.115 1045 I CA 1.292 62.641 61.300 0.082 0.000 1.392 1045 I CB -0.299 37.751 38.000 0.084 0.000 1.065 1045 I HN 0.319 nan 8.210 nan 0.000 0.418 1046 E N 0.798 121.043 120.200 0.075 0.000 2.106 1046 E HA -0.273 4.078 4.350 0.001 0.000 0.192 1046 E C 2.184 178.740 176.600 -0.073 0.000 0.984 1046 E CA 1.151 57.595 56.400 0.073 0.000 0.806 1046 E CB -0.094 29.745 29.700 0.232 0.000 0.750 1046 E HN 0.416 nan 8.360 nan 0.000 0.458 1047 F N 0.662 120.352 119.950 -0.433 0.000 2.171 1047 F HA -0.144 4.384 4.527 0.001 0.000 0.300 1047 F C 1.631 177.200 175.800 -0.385 0.000 1.090 1047 F CA 0.912 58.443 58.000 -0.782 0.000 1.293 1047 F CB 0.054 38.556 39.000 -0.830 0.000 1.013 1047 F HN 0.065 nan 8.300 nan 0.000 0.486 1048 L N 0.154 121.243 121.223 -0.223 0.000 2.209 1048 L HA -0.059 4.281 4.340 0.001 0.000 0.207 1048 L C 2.122 178.846 176.870 -0.244 0.000 1.094 1048 L CA 1.064 55.754 54.840 -0.251 0.000 0.790 1048 L CB -1.284 40.732 42.059 -0.071 0.000 0.932 1048 L HN 0.095 nan 8.230 nan 0.000 0.447 1049 N N -0.333 118.267 118.700 -0.167 0.000 2.216 1049 N HA -0.183 4.557 4.740 0.001 0.000 0.183 1049 N C 1.786 177.192 175.510 -0.173 0.000 1.017 1049 N CA 0.888 53.853 53.050 -0.141 0.000 0.861 1049 N CB 0.099 38.545 38.487 -0.069 0.000 0.986 1049 N HN 0.460 nan 8.380 nan 0.000 0.428 1050 E N 0.879 120.969 120.200 -0.183 0.000 2.110 1050 E HA -0.103 4.247 4.350 0.001 0.000 0.193 1050 E C 1.710 178.163 176.600 -0.246 0.000 0.988 1050 E CA 1.070 57.375 56.400 -0.158 0.000 0.804 1050 E CB 0.045 29.674 29.700 -0.119 0.000 0.745 1050 E HN 0.311 nan 8.360 nan 0.000 0.458 1051 A N 0.108 122.699 122.820 -0.383 0.000 1.968 1051 A HA -0.065 4.255 4.320 0.001 0.000 0.217 1051 A C 2.283 179.606 177.584 -0.434 0.000 1.169 1051 A CA 1.224 53.001 52.037 -0.434 0.000 0.638 1051 A CB -0.300 18.364 19.000 -0.560 0.000 0.812 1051 A HN 0.229 nan 8.150 nan 0.000 0.446 1052 S N -0.160 115.308 115.700 -0.386 0.000 2.419 1052 S HA -0.141 4.330 4.470 0.001 0.000 0.235 1052 S C 1.846 176.162 174.600 -0.475 0.000 1.019 1052 S CA 1.402 59.353 58.200 -0.414 0.000 0.982 1052 S CB -0.424 62.604 63.200 -0.287 0.000 0.789 1052 S HN 0.399 nan 8.310 nan 0.000 0.490 1053 V N 2.192 121.849 119.914 -0.428 0.000 2.295 1053 V HA -0.229 3.891 4.120 0.001 0.000 0.246 1053 V C 2.204 177.710 176.094 -0.979 0.000 1.049 1053 V CA 1.762 63.727 62.300 -0.560 0.000 1.024 1053 V CB -0.711 30.908 31.823 -0.341 0.000 0.648 1053 V HN 0.527 nan 8.190 nan 0.000 0.447 1054 M N -0.459 118.706 119.600 -0.725 0.000 2.202 1054 M HA -0.223 4.257 4.480 0.001 0.000 0.262 1054 M C 2.223 178.090 176.300 -0.722 0.000 1.063 1054 M CA 1.740 56.643 55.300 -0.662 0.000 1.097 1054 M CB -0.646 31.705 32.600 -0.415 0.000 1.382 1054 M HN 0.304 nan 8.290 nan 0.000 0.413 1055 K N 0.304 120.193 120.400 -0.851 0.000 2.103 1055 K HA -0.156 4.165 4.320 0.001 0.000 0.207 1055 K C 1.735 178.053 176.600 -0.470 0.000 1.048 1055 K CA 1.100 56.829 56.287 -0.931 0.000 0.930 1055 K CB -0.227 31.596 32.500 -1.127 0.000 0.716 1055 K HN 0.363 nan 8.250 nan 0.000 0.444 1056 E N 0.188 120.001 120.200 -0.645 0.000 2.338 1056 E HA -0.081 4.270 4.350 0.001 0.000 0.197 1056 E C 0.264 176.670 176.600 -0.322 0.000 1.007 1056 E CA 0.769 56.878 56.400 -0.486 0.000 0.849 1056 E CB -0.023 29.336 29.700 -0.569 0.000 0.774 1056 E HN 0.131 nan 8.360 nan 0.000 0.506 1057 F N 0.633 120.513 119.950 -0.117 0.000 2.408 1057 F HA 0.437 4.964 4.527 0.001 0.000 0.325 1057 F C 0.558 176.408 175.800 0.083 0.000 1.082 1057 F CA -1.569 56.468 58.000 0.062 0.000 1.032 1057 F CB 0.543 39.493 39.000 -0.083 0.000 1.259 1057 F HN -0.259 nan 8.300 nan 0.000 0.503 1058 N N 0.493 119.370 118.700 0.295 0.000 3.193 1058 N HA 0.332 5.072 4.740 0.001 0.000 0.234 1058 N C -2.054 173.257 175.510 -0.332 0.000 1.267 1058 N CA -0.063 53.008 53.050 0.036 0.000 0.875 1058 N CB 0.627 39.187 38.487 0.122 0.000 1.592 1058 N HN 0.874 nan 8.380 nan 0.000 0.648 1059 C N 2.956 122.028 119.300 -0.380 0.000 3.171 1059 C HA 0.440 4.900 4.460 0.001 0.000 0.336 1059 C C 1.313 176.183 174.990 -0.201 0.000 1.198 1059 C CA -0.487 58.239 59.018 -0.486 0.000 1.319 1059 C CB 0.711 27.846 27.740 -1.010 0.000 1.682 1059 C HN 1.016 nan 8.230 nan 0.000 0.497 1060 H N 0.969 119.869 119.070 -0.283 0.000 2.423 1060 H HA 0.045 4.602 4.556 0.001 0.000 0.297 1060 H C 1.206 176.462 175.328 -0.119 0.000 1.075 1060 H CA 2.353 58.261 56.048 -0.233 0.000 1.342 1060 H CB -0.050 29.502 29.762 -0.350 0.000 1.395 1060 H HN 0.819 nan 8.280 nan 0.000 0.530 1061 H N -1.105 117.915 119.070 -0.083 0.000 2.524 1061 H HA 0.373 4.929 4.556 0.001 0.000 0.299 1061 H C -0.692 174.582 175.328 -0.089 0.000 1.074 1061 H CA -0.382 55.604 56.048 -0.103 0.000 1.115 1061 H CB 0.560 30.324 29.762 0.003 0.000 1.522 1061 H HN -0.011 nan 8.280 nan 0.000 0.543 1062 V N 1.332 121.243 119.914 -0.005 0.000 2.733 1062 V HA 0.088 4.208 4.120 0.001 0.000 0.306 1062 V C -0.032 176.081 176.094 0.032 0.000 1.084 1062 V CA -1.132 61.189 62.300 0.034 0.000 0.905 1062 V CB 2.503 34.300 31.823 -0.043 0.000 1.010 1062 V HN -0.026 nan 8.190 nan 0.000 0.424 1063 V N 5.013 124.986 119.914 0.100 0.000 2.425 1063 V HA 0.155 4.275 4.120 0.001 0.000 0.276 1063 V C 0.939 177.068 176.094 0.058 0.000 1.017 1063 V CA -0.093 62.252 62.300 0.075 0.000 1.062 1063 V CB -0.431 31.455 31.823 0.105 0.000 0.997 1063 V HN 0.769 nan 8.190 nan 0.000 0.476 1064 R N 3.425 123.948 120.500 0.039 0.000 2.590 1064 R HA 0.314 4.654 4.340 0.001 0.000 0.274 1064 R C -0.322 176.015 176.300 0.061 0.000 1.061 1064 R CA -0.678 55.452 56.100 0.051 0.000 1.081 1064 R CB 0.489 30.824 30.300 0.060 0.000 0.984 1064 R HN 0.542 nan 8.270 nan 0.000 0.448 1065 L N 3.870 125.134 121.223 0.070 0.000 2.292 1065 L HA 0.217 4.557 4.340 0.001 0.000 0.284 1065 L C -0.360 176.658 176.870 0.247 0.000 1.065 1065 L CA 0.352 55.235 54.840 0.072 0.000 0.806 1065 L CB 0.918 42.909 42.059 -0.114 0.000 1.175 1065 L HN 0.598 nan 8.230 nan 0.000 0.431 1066 L N 5.933 127.274 121.223 0.197 0.000 3.209 1066 L HA 0.605 4.945 4.340 0.001 0.000 0.279 1066 L C 0.413 177.397 176.870 0.190 0.000 1.301 1066 L CA -0.031 54.922 54.840 0.187 0.000 1.004 1066 L CB -0.239 41.877 42.059 0.094 0.000 1.402 1066 L HN 0.941 nan 8.230 nan 0.000 0.577 1067 G N -0.134 108.868 108.800 0.337 0.000 2.555 1067 G HA2 0.086 4.046 3.960 0.001 0.000 0.686 1067 G HA3 0.086 4.046 3.960 0.001 0.000 0.686 1067 G C -1.763 173.238 174.900 0.167 0.000 1.275 1067 G CA -0.235 45.033 45.100 0.279 0.000 0.871 1067 G HN -0.004 nan 8.290 nan 0.000 0.603 1068 V N -0.795 119.203 119.914 0.141 0.000 3.188 1068 V HA 0.854 4.974 4.120 0.001 0.000 0.305 1068 V C -0.929 175.213 176.094 0.079 0.000 1.232 1068 V CA -0.242 62.107 62.300 0.082 0.000 1.043 1068 V CB 2.277 34.116 31.823 0.027 0.000 1.068 1068 V HN 1.648 nan 8.190 nan 0.000 0.439 1069 V N 3.195 123.153 119.914 0.073 0.000 2.686 1069 V HA 0.641 4.761 4.120 0.001 0.000 0.306 1069 V C -0.096 176.034 176.094 0.059 0.000 1.065 1069 V CA 0.217 62.552 62.300 0.057 0.000 0.894 1069 V CB 1.827 33.674 31.823 0.039 0.000 1.004 1069 V HN 1.053 nan 8.190 nan 0.000 0.424 1070 S N 2.475 118.206 115.700 0.051 0.000 2.794 1070 S HA 0.402 4.872 4.470 0.001 0.000 0.244 1070 S C -0.386 174.219 174.600 0.009 0.000 1.045 1070 S CA -0.696 57.529 58.200 0.041 0.000 1.114 1070 S CB 0.035 63.284 63.200 0.082 0.000 1.085 1070 S HN 0.737 nan 8.310 nan 0.000 0.488 1071 Q N 0.718 120.515 119.800 -0.005 0.000 2.310 1071 Q HA 0.606 4.946 4.340 0.001 0.000 0.270 1071 Q C 0.835 176.810 176.000 -0.043 0.000 1.025 1071 Q CA -0.663 55.128 55.803 -0.020 0.000 0.772 1071 Q CB 1.725 30.469 28.738 0.011 0.000 1.253 1071 Q HN 0.439 nan 8.270 nan 0.000 0.450 1072 G N 2.538 111.295 108.800 -0.071 0.000 3.581 1072 G HA2 -0.346 3.615 3.960 0.001 0.000 0.336 1072 G HA3 -0.346 3.615 3.960 0.001 0.000 0.336 1072 G C 0.514 175.374 174.900 -0.067 0.000 1.259 1072 G CA 0.370 45.431 45.100 -0.066 0.000 1.001 1072 G HN 0.565 nan 8.290 nan 0.000 0.662 1073 Q N 2.078 121.847 119.800 -0.051 0.000 3.067 1073 Q HA 0.220 4.560 4.340 0.001 0.000 0.206 1073 Q C -1.974 173.991 176.000 -0.058 0.000 1.160 1073 Q CA -0.282 55.491 55.803 -0.051 0.000 1.181 1073 Q CB -0.944 27.766 28.738 -0.047 0.000 1.354 1073 Q HN 0.387 nan 8.270 nan 0.000 0.675 1074 P HA -0.014 nan 4.420 nan 0.000 0.263 1074 P C -0.858 176.410 177.300 -0.053 0.000 1.195 1074 P CA 0.552 63.614 63.100 -0.064 0.000 0.762 1074 P CB 0.183 31.845 31.700 -0.064 0.000 0.799 1075 T N 5.006 119.524 114.554 -0.061 0.000 2.867 1075 T HA 0.319 4.669 4.350 0.001 0.000 0.297 1075 T C 0.231 174.950 174.700 0.031 0.000 0.989 1075 T CA 0.188 62.285 62.100 -0.005 0.000 1.159 1075 T CB -0.467 68.403 68.868 0.003 0.000 0.928 1075 T HN 0.174 nan 8.240 nan 0.000 0.538 1076 L N 1.531 122.834 121.223 0.134 0.000 2.415 1076 L HA 0.948 5.288 4.340 0.001 0.000 0.256 1076 L C -0.884 176.138 176.870 0.254 0.000 1.010 1076 L CA -1.277 53.691 54.840 0.212 0.000 0.826 1076 L CB 1.311 43.425 42.059 0.092 0.000 1.405 1076 L HN 0.287 nan 8.230 nan 0.000 0.410 1077 V N 1.741 121.820 119.914 0.275 0.000 2.680 1077 V HA 0.564 4.684 4.120 0.001 0.000 0.309 1077 V C -0.564 175.594 176.094 0.107 0.000 1.052 1077 V CA -0.343 62.025 62.300 0.114 0.000 0.908 1077 V CB 1.978 33.770 31.823 -0.052 0.000 1.001 1077 V HN 0.633 nan 8.190 nan 0.000 0.431 1078 I N 5.301 125.918 120.570 0.078 0.000 2.353 1078 I HA 0.557 4.728 4.170 0.001 0.000 0.293 1078 I C 0.122 176.283 176.117 0.073 0.000 0.992 1078 I CA 0.297 61.645 61.300 0.079 0.000 1.268 1078 I CB 1.241 39.286 38.000 0.075 0.000 1.387 1078 I HN 0.485 nan 8.210 nan 0.000 0.478 1079 M N 4.017 123.660 119.600 0.072 0.000 2.575 1079 M HA 0.371 4.851 4.480 0.001 0.000 0.284 1079 M C -0.302 176.033 176.300 0.058 0.000 1.253 1079 M CA -0.888 54.451 55.300 0.065 0.000 0.861 1079 M CB 2.095 34.733 32.600 0.063 0.000 1.733 1079 M HN 0.466 nan 8.290 nan 0.000 0.462 1080 E N 1.989 122.220 120.200 0.052 0.000 2.558 1080 E HA 0.053 4.403 4.350 0.001 0.000 0.255 1080 E C -1.358 175.261 176.600 0.032 0.000 0.968 1080 E CA -0.069 56.355 56.400 0.039 0.000 0.939 1080 E CB 0.683 30.403 29.700 0.033 0.000 0.921 1080 E HN 0.565 nan 8.360 nan 0.000 0.477 1081 L N 5.868 127.106 121.223 0.025 0.000 2.369 1081 L HA 0.137 4.477 4.340 0.001 0.000 0.279 1081 L C -0.420 176.448 176.870 -0.004 0.000 1.108 1081 L CA -0.171 54.680 54.840 0.018 0.000 0.852 1081 L CB 0.437 42.507 42.059 0.018 0.000 1.169 1081 L HN 0.613 nan 8.230 nan 0.000 0.452 1082 M N 4.756 124.353 119.600 -0.005 0.000 2.385 1082 M HA 0.189 4.669 4.480 0.001 0.000 0.346 1082 M C 1.145 177.427 176.300 -0.030 0.000 1.180 1082 M CA -0.289 54.993 55.300 -0.030 0.000 1.154 1082 M CB 0.424 33.010 32.600 -0.024 0.000 1.251 1082 M HN 0.610 nan 8.290 nan 0.000 0.430 1083 T N -0.382 114.145 114.554 -0.045 0.000 2.881 1083 T HA -0.101 4.250 4.350 0.001 0.000 0.270 1083 T C 1.514 176.196 174.700 -0.030 0.000 1.068 1083 T CA 1.111 63.191 62.100 -0.034 0.000 1.131 1083 T CB -0.144 68.697 68.868 -0.045 0.000 0.871 1083 T HN 0.586 nan 8.240 nan 0.000 0.479 1084 R N 1.580 122.043 120.500 -0.061 0.000 2.323 1084 R HA 0.364 4.704 4.340 0.001 0.000 0.198 1084 R C 1.665 177.980 176.300 0.024 0.000 0.988 1084 R CA 0.315 56.400 56.100 -0.027 0.000 1.041 1084 R CB -0.515 29.714 30.300 -0.118 0.000 0.926 1084 R HN 0.525 nan 8.270 nan 0.000 0.476 1085 G N 2.323 111.130 108.800 0.011 0.000 2.584 1085 G HA2 -0.274 3.687 3.960 0.001 0.000 0.229 1085 G HA3 -0.274 3.687 3.960 0.001 0.000 0.229 1085 G C -0.898 174.022 174.900 0.034 0.000 1.320 1085 G CA -0.129 44.992 45.100 0.034 0.000 0.891 1085 G HN 0.455 nan 8.290 nan 0.000 0.573 1086 D N 0.288 120.720 120.400 0.054 0.000 2.264 1086 D HA 0.362 5.002 4.640 0.001 0.000 0.249 1086 D C 1.677 178.036 176.300 0.098 0.000 1.070 1086 D CA -0.389 53.642 54.000 0.052 0.000 0.912 1086 D CB 1.983 42.806 40.800 0.039 0.000 1.193 1086 D HN 0.498 nan 8.370 nan 0.000 0.427 1087 L N 2.370 123.643 121.223 0.084 0.000 2.043 1087 L HA -0.246 4.094 4.340 0.001 0.000 0.212 1087 L C 2.503 179.472 176.870 0.166 0.000 1.075 1087 L CA 1.979 56.905 54.840 0.142 0.000 0.752 1087 L CB -0.725 41.389 42.059 0.091 0.000 0.891 1087 L HN 0.619 nan 8.230 nan 0.000 0.432 1088 K N -1.119 119.348 120.400 0.112 0.000 1.991 1088 K HA -0.197 4.123 4.320 0.001 0.000 0.212 1088 K C 2.091 178.750 176.600 0.099 0.000 1.049 1088 K CA 2.053 58.404 56.287 0.107 0.000 0.932 1088 K CB -0.272 32.281 32.500 0.088 0.000 0.717 1088 K HN 0.376 nan 8.250 nan 0.000 0.441 1089 S N 0.066 115.825 115.700 0.098 0.000 2.359 1089 S HA -0.189 4.282 4.470 0.001 0.000 0.224 1089 S C 1.667 176.331 174.600 0.107 0.000 1.035 1089 S CA 1.466 59.719 58.200 0.088 0.000 1.018 1089 S CB -0.584 62.666 63.200 0.084 0.000 0.876 1089 S HN 0.452 nan 8.310 nan 0.000 0.448 1090 Y N 2.513 122.835 120.300 0.037 0.000 2.097 1090 Y HA -0.185 4.365 4.550 0.001 0.000 0.282 1090 Y C 1.896 177.814 175.900 0.030 0.000 1.152 1090 Y CA 1.335 59.462 58.100 0.044 0.000 1.136 1090 Y CB -0.746 37.751 38.460 0.061 0.000 0.975 1090 Y HN 0.135 nan 8.280 nan 0.000 0.498 1091 L N 0.050 121.238 121.223 -0.059 0.000 1.963 1091 L HA -0.342 3.998 4.340 0.001 0.000 0.220 1091 L C 2.717 179.475 176.870 -0.187 0.000 1.076 1091 L CA 2.146 56.884 54.840 -0.170 0.000 0.772 1091 L CB -0.678 41.377 42.059 -0.006 0.000 0.892 1091 L HN 0.174 nan 8.230 nan 0.000 0.435 1092 R N -0.158 120.291 120.500 -0.085 0.000 2.139 1092 R HA -0.184 4.156 4.340 0.001 0.000 0.243 1092 R C 2.535 178.774 176.300 -0.101 0.000 1.145 1092 R CA 1.683 57.741 56.100 -0.070 0.000 0.976 1092 R CB -0.529 29.760 30.300 -0.018 0.000 0.866 1092 R HN 0.559 nan 8.270 nan 0.000 0.449 1093 S N 0.877 116.500 115.700 -0.128 0.000 2.419 1093 S HA -0.080 4.390 4.470 0.001 0.000 0.233 1093 S C 1.916 176.412 174.600 -0.173 0.000 1.016 1093 S CA 0.872 58.998 58.200 -0.122 0.000 0.974 1093 S CB -0.300 62.841 63.200 -0.098 0.000 0.786 1093 S HN 0.283 nan 8.310 nan 0.000 0.492 1094 L N 0.644 121.699 121.223 -0.279 0.000 2.465 1094 L HA 0.118 4.459 4.340 0.001 0.000 0.224 1094 L C 1.368 178.142 176.870 -0.160 0.000 1.145 1094 L CA 0.184 54.870 54.840 -0.257 0.000 0.834 1094 L CB -0.452 41.394 42.059 -0.355 0.000 0.944 1094 L HN 0.194 nan 8.230 nan 0.000 0.451 1095 R N 1.461 121.883 120.500 -0.131 0.000 2.679 1095 R HA 0.006 4.346 4.340 0.001 0.000 0.268 1095 R C -1.272 174.982 176.300 -0.076 0.000 1.044 1095 R CA -1.023 55.019 56.100 -0.096 0.000 1.105 1095 R CB -0.054 30.200 30.300 -0.077 0.000 0.989 1095 R HN -0.072 nan 8.270 nan 0.000 0.447 1096 P HA -0.055 nan 4.420 nan 0.000 0.244 1096 P C -0.607 176.668 177.300 -0.042 0.000 1.211 1096 P CA 1.008 64.076 63.100 -0.053 0.000 0.760 1096 P CB 0.444 32.113 31.700 -0.052 0.000 0.961 1104 L N 3.529 124.731 121.223 -0.035 0.000 2.043 1104 L HA 0.403 4.744 4.340 0.001 0.000 0.212 1104 L C 0.877 177.721 176.870 -0.043 0.000 1.075 1104 L CA 2.712 57.532 54.840 -0.034 0.000 0.752 1104 L CB -0.038 42.004 42.059 -0.029 0.000 0.891 1104 L HN 1.172 nan 8.230 nan 0.000 0.432 1105 A N -2.170 120.616 122.820 -0.055 0.000 2.590 1105 A HA 0.618 4.939 4.320 0.001 0.000 0.294 1105 A C -2.682 174.853 177.584 -0.082 0.000 1.046 1105 A CA -0.726 51.273 52.037 -0.063 0.000 0.684 1105 A CB 0.015 18.982 19.000 -0.055 0.000 1.279 1105 A HN 0.052 nan 8.150 nan 0.000 0.415 1106 P HA 0.509 nan 4.420 nan 0.000 0.274 1106 P C -2.652 174.591 177.300 -0.095 0.000 1.256 1106 P CA -1.024 62.013 63.100 -0.104 0.000 0.795 1106 P CB -0.656 30.984 31.700 -0.101 0.000 1.038 1107 P HA 0.013 nan 4.420 nan 0.000 0.264 1107 P C 0.150 177.409 177.300 -0.068 0.000 1.183 1107 P CA 0.379 63.434 63.100 -0.076 0.000 0.763 1107 P CB 0.094 31.759 31.700 -0.058 0.000 0.807 1108 S N 3.488 119.152 115.700 -0.061 0.000 2.584 1108 S HA 0.115 4.585 4.470 0.001 0.000 0.273 1108 S C 1.245 175.815 174.600 -0.050 0.000 1.311 1108 S CA -0.854 57.314 58.200 -0.053 0.000 1.034 1108 S CB 0.514 63.685 63.200 -0.047 0.000 0.939 1108 S HN 0.485 nan 8.310 nan 0.000 0.513 1109 L N 1.684 122.878 121.223 -0.048 0.000 2.123 1109 L HA -0.176 4.164 4.340 0.001 0.000 0.217 1109 L C 2.159 179.002 176.870 -0.044 0.000 1.081 1109 L CA 2.613 57.426 54.840 -0.046 0.000 0.772 1109 L CB -1.440 40.596 42.059 -0.039 0.000 0.890 1109 L HN 0.955 nan 8.230 nan 0.000 0.437 1110 S N -0.653 115.023 115.700 -0.040 0.000 2.345 1110 S HA -0.134 4.336 4.470 0.001 0.000 0.219 1110 S C 1.883 176.457 174.600 -0.044 0.000 1.031 1110 S CA 0.825 59.001 58.200 -0.040 0.000 0.984 1110 S CB -0.012 63.169 63.200 -0.032 0.000 0.874 1110 S HN 0.402 nan 8.310 nan 0.000 0.451 1111 K N 0.825 121.199 120.400 -0.042 0.000 2.152 1111 K HA -0.035 4.285 4.320 0.001 0.000 0.206 1111 K C 2.034 178.613 176.600 -0.036 0.000 1.048 1111 K CA 1.281 57.544 56.287 -0.040 0.000 0.933 1111 K CB -0.460 32.013 32.500 -0.046 0.000 0.721 1111 K HN 0.485 nan 8.250 nan 0.000 0.447 1112 M N 0.091 119.667 119.600 -0.041 0.000 2.156 1112 M HA -0.108 4.373 4.480 0.001 0.000 0.264 1112 M C 1.966 178.236 176.300 -0.050 0.000 1.067 1112 M CA 0.985 56.260 55.300 -0.042 0.000 1.131 1112 M CB -0.224 32.344 32.600 -0.053 0.000 1.368 1112 M HN -0.036 nan 8.290 nan 0.000 0.416 1113 I N 0.477 121.012 120.570 -0.057 0.000 2.194 1113 I HA -0.296 3.875 4.170 0.001 0.000 0.246 1113 I C 2.461 178.519 176.117 -0.098 0.000 1.093 1113 I CA 1.689 62.947 61.300 -0.069 0.000 1.355 1113 I CB -1.437 36.519 38.000 -0.073 0.000 1.046 1113 I HN 0.368 nan 8.210 nan 0.000 0.413 1114 Q N 1.108 120.850 119.800 -0.097 0.000 2.002 1114 Q HA -0.182 4.159 4.340 0.001 0.000 0.204 1114 Q C 2.313 178.243 176.000 -0.116 0.000 0.988 1114 Q CA 1.978 57.707 55.803 -0.123 0.000 0.843 1114 Q CB -0.325 28.372 28.738 -0.069 0.000 0.908 1114 Q HN 0.462 nan 8.270 nan 0.000 0.420 1115 M N -0.536 119.027 119.600 -0.062 0.000 2.108 1115 M HA -0.179 4.301 4.480 0.001 0.000 0.261 1115 M C 2.179 178.464 176.300 -0.025 0.000 1.066 1115 M CA 1.537 56.812 55.300 -0.042 0.000 1.107 1115 M CB -0.575 32.023 32.600 -0.003 0.000 1.356 1115 M HN 0.325 nan 8.290 nan 0.000 0.406 1116 A N 0.995 123.810 122.820 -0.008 0.000 1.859 1116 A HA -0.131 4.189 4.320 0.001 0.000 0.217 1116 A C 2.411 180.065 177.584 0.118 0.000 1.198 1116 A CA 2.246 54.340 52.037 0.096 0.000 0.629 1116 A CB -1.748 17.291 19.000 0.066 0.000 0.830 1116 A HN 0.549 nan 8.150 nan 0.000 0.446 1117 G N -0.619 108.148 108.800 -0.054 0.000 2.442 1117 G HA2 -0.220 3.740 3.960 0.001 0.000 0.219 1117 G HA3 -0.220 3.740 3.960 0.001 0.000 0.219 1117 G C 1.401 176.192 174.900 -0.182 0.000 1.141 1117 G CA 1.029 46.021 45.100 -0.179 0.000 0.763 1117 G HN 0.697 nan 8.290 nan 0.000 0.554 1118 E N 0.169 120.221 120.200 -0.247 0.000 2.077 1118 E HA -0.093 4.257 4.350 0.001 0.000 0.193 1118 E C 2.523 178.957 176.600 -0.276 0.000 0.989 1118 E CA 0.783 56.917 56.400 -0.443 0.000 0.800 1118 E CB -0.176 29.249 29.700 -0.458 0.000 0.746 1118 E HN 0.502 nan 8.360 nan 0.000 0.452 1119 I N 1.233 121.736 120.570 -0.113 0.000 2.315 1119 I HA -0.209 3.961 4.170 0.001 0.000 0.248 1119 I C 2.615 178.634 176.117 -0.165 0.000 1.117 1119 I CA 0.779 62.042 61.300 -0.061 0.000 1.404 1119 I CB -0.374 37.680 38.000 0.090 0.000 1.071 1119 I HN 0.046 nan 8.210 nan 0.000 0.419 1120 A N 0.468 123.194 122.820 -0.155 0.000 1.972 1120 A HA -0.296 4.024 4.320 0.001 0.000 0.219 1120 A C 1.952 179.408 177.584 -0.214 0.000 1.169 1120 A CA 2.349 54.162 52.037 -0.373 0.000 0.635 1120 A CB -0.676 18.202 19.000 -0.202 0.000 0.810 1120 A HN 0.449 nan 8.150 nan 0.000 0.446 1121 D N -0.948 119.476 120.400 0.040 0.000 2.097 1121 D HA -0.005 4.635 4.640 0.001 0.000 0.197 1121 D C 2.063 178.453 176.300 0.150 0.000 0.984 1121 D CA 1.558 55.724 54.000 0.276 0.000 0.826 1121 D CB -0.411 40.772 40.800 0.638 0.000 0.973 1121 D HN 0.283 nan 8.370 nan 0.000 0.460 1122 G N 0.280 109.133 108.800 0.088 0.000 2.469 1122 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 1122 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 1122 G C 1.515 176.340 174.900 -0.125 0.000 1.150 1122 G CA 0.902 46.011 45.100 0.016 0.000 0.763 1122 G HN 0.199 nan 8.290 nan 0.000 0.561 1123 M N 0.912 120.292 119.600 -0.367 0.000 2.200 1123 M HA 0.132 4.612 4.480 0.001 0.000 0.265 1123 M C 3.026 179.079 176.300 -0.411 0.000 1.066 1123 M CA 1.117 56.047 55.300 -0.616 0.000 1.127 1123 M CB -1.126 30.524 32.600 -1.583 0.000 1.379 1123 M HN 0.318 nan 8.290 nan 0.000 0.420 1124 A N -0.576 122.077 122.820 -0.278 0.000 1.933 1124 A HA -0.224 4.096 4.320 0.001 0.000 0.218 1124 A C 2.132 179.553 177.584 -0.272 0.000 1.175 1124 A CA 1.440 53.468 52.037 -0.015 0.000 0.628 1124 A CB -1.093 18.043 19.000 0.226 0.000 0.814 1124 A HN 0.506 nan 8.150 nan 0.000 0.444 1125 Y N 0.545 120.475 120.300 -0.617 0.000 2.114 1125 Y HA -0.186 4.364 4.550 0.001 0.000 0.284 1125 Y C 2.001 177.659 175.900 -0.403 0.000 1.143 1125 Y CA 1.818 59.372 58.100 -0.910 0.000 1.135 1125 Y CB -0.421 37.657 38.460 -0.636 0.000 0.980 1125 Y HN 0.215 nan 8.280 nan 0.000 0.499 1126 L N 0.199 121.258 121.223 -0.274 0.000 1.971 1126 L HA -0.325 4.015 4.340 0.001 0.000 0.215 1126 L C 2.346 179.208 176.870 -0.013 0.000 1.072 1126 L CA 2.230 56.949 54.840 -0.201 0.000 0.758 1126 L CB -0.887 41.120 42.059 -0.087 0.000 0.889 1126 L HN 0.316 nan 8.230 nan 0.000 0.433 1127 N N -0.339 118.371 118.700 0.017 0.000 2.223 1127 N HA -0.142 4.598 4.740 0.001 0.000 0.185 1127 N C 1.696 177.212 175.510 0.009 0.000 1.016 1127 N CA 1.169 54.264 53.050 0.075 0.000 0.863 1127 N CB 0.038 38.601 38.487 0.127 0.000 0.983 1127 N HN 0.331 nan 8.380 nan 0.000 0.429 1128 A N 0.916 123.684 122.820 -0.086 0.000 1.841 1128 A HA -0.147 4.173 4.320 0.001 0.000 0.216 1128 A C 1.539 179.083 177.584 -0.067 0.000 1.199 1128 A CA 1.480 53.476 52.037 -0.069 0.000 0.621 1128 A CB -0.785 18.110 19.000 -0.176 0.000 0.835 1128 A HN 0.484 nan 8.150 nan 0.000 0.445 1129 N N 0.944 119.543 118.700 -0.168 0.000 2.523 1129 N HA 0.005 4.745 4.740 0.001 0.000 0.208 1129 N C -0.868 174.645 175.510 0.005 0.000 1.313 1129 N CA 0.423 53.439 53.050 -0.056 0.000 0.853 1129 N CB -0.253 38.178 38.487 -0.094 0.000 1.090 1129 N HN 0.419 nan 8.380 nan 0.000 0.463 1130 K N 0.284 120.664 120.400 -0.033 0.000 4.856 1130 K HA -0.198 4.122 4.320 0.001 0.000 0.306 1130 K C -1.207 175.179 176.600 -0.356 0.000 0.895 1130 K CA 0.746 56.962 56.287 -0.118 0.000 0.963 1130 K CB -1.218 31.227 32.500 -0.092 0.000 1.737 1130 K HN 0.161 nan 8.250 nan 0.000 0.424 1131 F N -0.541 119.437 119.950 0.047 0.000 2.641 1131 F HA 0.425 4.952 4.527 0.000 0.000 0.308 1131 F C -0.359 175.492 175.800 0.085 0.000 1.105 1131 F CA -0.942 57.105 58.000 0.079 0.000 0.964 1131 F CB 1.790 40.875 39.000 0.141 0.000 1.294 1131 F HN -0.048 nan 8.300 nan 0.000 0.442 1132 V N 3.533 123.625 119.914 0.298 0.000 2.540 1132 V HA 0.310 4.431 4.120 0.001 0.000 0.302 1132 V C 0.215 176.429 176.094 0.200 0.000 1.035 1132 V CA -0.172 62.267 62.300 0.231 0.000 0.873 1132 V CB 1.447 33.381 31.823 0.186 0.000 0.992 1132 V HN 0.947 nan 8.190 nan 0.000 0.428 1133 H N 5.596 124.746 119.070 0.133 0.000 2.415 1133 H HA 0.085 4.641 4.556 0.001 0.000 0.297 1133 H C 1.503 176.843 175.328 0.020 0.000 1.048 1133 H CA 1.670 57.750 56.048 0.054 0.000 1.365 1133 H CB 0.413 30.180 29.762 0.009 0.000 1.421 1133 H HN 0.823 nan 8.280 nan 0.000 0.533 1134 R N -0.288 120.382 120.500 0.284 0.000 4.010 1134 R HA -0.212 4.129 4.340 0.001 0.000 0.409 1134 R C -0.447 176.028 176.300 0.290 0.000 1.120 1134 R CA 1.312 57.569 56.100 0.262 0.000 1.244 1134 R CB -1.490 28.615 30.300 -0.325 0.000 1.799 1134 R HN 0.324 nan 8.270 nan 0.000 0.559 1135 D N -0.141 120.511 120.400 0.420 0.000 3.216 1135 D HA 0.157 4.797 4.640 0.001 0.000 0.348 1135 D C -1.163 175.308 176.300 0.284 0.000 1.407 1135 D CA -0.470 53.706 54.000 0.292 0.000 0.744 1135 D CB 0.360 41.203 40.800 0.070 0.000 1.264 1135 D HN 0.041 nan 8.370 nan 0.000 0.543 1136 L N 1.601 122.941 121.223 0.195 0.000 2.367 1136 L HA 0.773 5.113 4.340 0.001 0.000 0.275 1136 L C -0.474 176.361 176.870 -0.058 0.000 1.129 1136 L CA 0.225 55.032 54.840 -0.056 0.000 0.839 1136 L CB 0.811 42.919 42.059 0.082 0.000 1.133 1136 L HN 0.294 nan 8.230 nan 0.000 0.453 1137 A N 3.604 126.324 122.820 -0.166 0.000 2.581 1137 A HA 0.596 4.916 4.320 0.001 0.000 0.294 1137 A C 0.424 177.944 177.584 -0.108 0.000 1.035 1137 A CA -0.158 51.727 52.037 -0.253 0.000 0.684 1137 A CB -0.089 18.282 19.000 -1.049 0.000 1.282 1137 A HN 1.158 nan 8.150 nan 0.000 0.417 1138 A N 1.135 123.981 122.820 0.044 0.000 1.997 1138 A HA -0.212 4.108 4.320 0.001 0.000 0.221 1138 A C 1.923 179.508 177.584 0.002 0.000 1.172 1138 A CA 2.321 54.391 52.037 0.056 0.000 0.645 1138 A CB -0.633 18.447 19.000 0.135 0.000 0.813 1138 A HN 1.331 nan 8.150 nan 0.000 0.454 1139 R N -1.013 119.452 120.500 -0.059 0.000 2.237 1139 R HA -0.002 4.339 4.340 0.001 0.000 0.219 1139 R C 0.234 176.492 176.300 -0.070 0.000 1.080 1139 R CA 1.463 57.526 56.100 -0.061 0.000 0.995 1139 R CB -0.344 29.890 30.300 -0.109 0.000 0.875 1139 R HN 0.353 nan 8.270 nan 0.000 0.462 1140 N N -0.101 118.538 118.700 -0.102 0.000 2.238 1140 N HA 0.130 4.871 4.740 0.001 0.000 0.222 1140 N C -0.958 174.492 175.510 -0.101 0.000 1.133 1140 N CA -0.166 52.827 53.050 -0.095 0.000 0.854 1140 N CB 0.617 39.042 38.487 -0.103 0.000 1.041 1140 N HN 0.130 nan 8.380 nan 0.000 0.510 1141 C N 0.990 120.251 119.300 -0.065 0.000 2.435 1141 C HA 0.587 5.047 4.460 0.001 0.000 0.333 1141 C C -0.019 174.958 174.990 -0.022 0.000 1.202 1141 C CA -0.782 58.204 59.018 -0.053 0.000 1.830 1141 C CB 1.229 28.947 27.740 -0.037 0.000 2.326 1141 C HN 0.198 nan 8.230 nan 0.000 0.507 1142 M N 2.210 121.796 119.600 -0.023 0.000 2.598 1142 M HA 0.516 4.997 4.480 0.001 0.000 0.317 1142 M C -0.774 175.495 176.300 -0.052 0.000 1.179 1142 M CA -0.591 54.697 55.300 -0.021 0.000 0.936 1142 M CB 1.597 34.192 32.600 -0.008 0.000 1.713 1142 M HN 0.299 nan 8.290 nan 0.000 0.460 1143 V N 1.969 121.835 119.914 -0.079 0.000 2.357 1143 V HA 0.617 4.737 4.120 0.001 0.000 0.284 1143 V C 0.439 176.439 176.094 -0.156 0.000 1.018 1143 V CA -0.981 61.226 62.300 -0.154 0.000 0.841 1143 V CB 1.009 32.646 31.823 -0.309 0.000 0.991 1143 V HN 1.006 nan 8.190 nan 0.000 0.437 1144 A N 3.151 125.881 122.820 -0.150 0.000 2.296 1144 A HA 0.435 4.755 4.320 0.001 0.000 0.264 1144 A C 1.336 178.751 177.584 -0.281 0.000 1.097 1144 A CA 0.034 51.976 52.037 -0.158 0.000 0.811 1144 A CB 0.285 19.217 19.000 -0.112 0.000 1.072 1144 A HN 0.917 nan 8.150 nan 0.000 0.495 1145 E N 0.488 120.534 120.200 -0.257 0.000 2.070 1145 E HA -0.224 4.126 4.350 0.001 0.000 0.197 1145 E C 1.047 177.292 176.600 -0.593 0.000 1.004 1145 E CA 2.099 58.276 56.400 -0.372 0.000 0.805 1145 E CB -0.121 29.452 29.700 -0.211 0.000 0.744 1145 E HN 0.738 nan 8.360 nan 0.000 0.451 1146 D N -0.906 119.292 120.400 -0.337 0.000 2.332 1146 D HA -0.133 4.507 4.640 0.001 0.000 0.244 1146 D C -0.115 176.114 176.300 -0.117 0.000 1.136 1146 D CA 0.005 53.870 54.000 -0.224 0.000 0.884 1146 D CB -0.560 40.225 40.800 -0.025 0.000 0.906 1146 D HN 0.288 nan 8.370 nan 0.000 0.520 1147 F N -0.874 119.034 119.950 -0.069 0.000 2.953 1147 F HA -0.234 4.294 4.527 0.001 0.000 0.292 1147 F C 0.430 176.164 175.800 -0.110 0.000 0.747 1147 F CA 0.591 58.512 58.000 -0.131 0.000 1.222 1147 F CB -2.799 36.146 39.000 -0.091 0.000 1.457 1147 F HN -0.102 nan 8.300 nan 0.000 0.383 1148 T N 1.417 115.985 114.554 0.023 0.000 2.901 1148 T HA 0.500 4.851 4.350 0.001 0.000 0.301 1148 T C 0.491 175.162 174.700 -0.048 0.000 1.012 1148 T CA -0.343 61.764 62.100 0.012 0.000 1.135 1148 T CB 1.567 70.442 68.868 0.012 0.000 0.936 1148 T HN 0.020 nan 8.240 nan 0.000 0.539 1149 V N 4.946 124.821 119.914 -0.065 0.000 2.407 1149 V HA 0.449 4.570 4.120 0.001 0.000 0.278 1149 V C 0.244 176.289 176.094 -0.082 0.000 1.037 1149 V CA -0.521 61.734 62.300 -0.075 0.000 0.900 1149 V CB 1.047 32.832 31.823 -0.063 0.000 0.983 1149 V HN 0.766 nan 8.190 nan 0.000 0.459 1150 K N 4.170 124.538 120.400 -0.053 0.000 2.444 1150 K HA 0.655 4.976 4.320 0.001 0.000 0.252 1150 K C -1.149 175.434 176.600 -0.027 0.000 0.993 1150 K CA -0.953 55.319 56.287 -0.025 0.000 0.847 1150 K CB 2.806 35.298 32.500 -0.014 0.000 1.340 1150 K HN 0.432 nan 8.250 nan 0.000 0.446 1151 I N 1.052 121.613 120.570 -0.015 0.000 2.441 1151 I HA 0.148 4.318 4.170 0.001 0.000 0.287 1151 I C 0.956 177.095 176.117 0.038 0.000 1.049 1151 I CA 0.218 61.473 61.300 -0.075 0.000 1.381 1151 I CB 1.025 38.945 38.000 -0.134 0.000 1.409 1151 I HN 0.934 nan 8.210 nan 0.000 0.523 1152 G N 4.071 112.854 108.800 -0.029 0.000 3.528 1152 G HA2 0.126 4.086 3.960 0.001 0.000 0.266 1152 G HA3 0.126 4.086 3.960 0.001 0.000 0.266 1152 G C -0.421 174.539 174.900 0.099 0.000 1.004 1152 G CA -0.023 45.144 45.100 0.113 0.000 0.853 1152 G HN 0.633 nan 8.290 nan 0.000 0.501 1153 D N -0.716 119.566 120.400 -0.196 0.000 2.879 1153 D HA 0.603 5.243 4.640 0.001 0.000 0.236 1153 D C -0.922 175.058 176.300 -0.534 0.000 1.171 1153 D CA -0.692 53.235 54.000 -0.123 0.000 0.868 1153 D CB 1.475 42.238 40.800 -0.062 0.000 1.598 1153 D HN -0.079 nan 8.370 nan 0.000 0.497 1154 F N 2.096 122.015 119.950 -0.051 0.000 2.671 1154 F HA 0.335 4.862 4.527 0.000 0.000 0.384 1154 F C 1.540 177.244 175.800 -0.159 0.000 1.351 1154 F CA -0.758 57.130 58.000 -0.188 0.000 1.151 1154 F CB 0.985 39.934 39.000 -0.085 0.000 1.147 1154 F HN 0.528 nan 8.300 nan 0.000 0.513 1155 G N 0.357 109.153 108.800 -0.007 0.000 2.418 1155 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 1155 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 1155 G C 1.260 176.133 174.900 -0.044 0.000 1.158 1155 G CA 0.608 45.724 45.100 0.026 0.000 0.771 1155 G HN 0.336 nan 8.290 nan 0.000 0.545 1156 M N 1.507 121.019 119.600 -0.148 0.000 2.549 1156 M HA 0.176 4.656 4.480 0.001 0.000 0.273 1156 M C -0.161 175.977 176.300 -0.270 0.000 1.213 1156 M CA -0.091 55.089 55.300 -0.200 0.000 0.976 1156 M CB 0.788 33.262 32.600 -0.209 0.000 1.457 1156 M HN -0.114 nan 8.290 nan 0.000 0.485 1157 T N 1.348 115.787 114.554 -0.191 0.000 2.851 1157 T HA 0.401 4.752 4.350 0.001 0.000 0.298 1157 T C -0.055 174.612 174.700 -0.055 0.000 0.977 1157 T CA -0.004 62.037 62.100 -0.099 0.000 1.126 1157 T CB 0.620 69.552 68.868 0.106 0.000 0.916 1157 T HN 0.189 nan 8.240 nan 0.000 0.529 1158 R N 1.981 122.441 120.500 -0.068 0.000 2.673 1158 R HA 0.438 4.778 4.340 0.001 0.000 0.281 1158 R C -1.074 175.294 176.300 0.114 0.000 0.991 1158 R CA -1.004 55.045 56.100 -0.085 0.000 0.896 1158 R CB 1.263 31.203 30.300 -0.601 0.000 1.201 1158 R HN 0.798 nan 8.270 nan 0.000 0.457 1159 D N 1.420 121.882 120.400 0.103 0.000 2.312 1159 D HA 0.351 4.991 4.640 0.001 0.000 0.248 1159 D C 0.403 176.653 176.300 -0.083 0.000 1.086 1159 D CA -0.584 53.312 54.000 -0.174 0.000 0.948 1159 D CB 0.891 41.380 40.800 -0.518 0.000 1.162 1159 D HN 0.564 nan 8.370 nan 0.000 0.446 1160 I N -2.049 118.440 120.570 -0.135 0.000 2.913 1160 I HA 0.243 4.413 4.170 0.001 0.000 0.334 1160 I C -0.301 175.805 176.117 -0.018 0.000 1.449 1160 I CA -0.809 60.468 61.300 -0.038 0.000 0.867 1160 I CB 0.134 38.139 38.000 0.009 0.000 1.918 1160 I HN 0.305 nan 8.210 nan 0.000 0.556 1161 Y N 3.159 123.347 120.300 -0.187 0.000 2.274 1161 Y HA -0.201 4.349 4.550 0.000 0.000 0.290 1161 Y C 2.309 178.151 175.900 -0.096 0.000 1.145 1161 Y CA 2.019 60.028 58.100 -0.153 0.000 1.203 1161 Y CB 0.154 38.518 38.460 -0.159 0.000 0.984 1161 Y HN 0.609 nan 8.280 nan 0.000 0.533 1162 E N -0.522 119.634 120.200 -0.073 0.000 1.987 1162 E HA -0.095 4.256 4.350 0.001 0.000 0.198 1162 E C 1.262 177.789 176.600 -0.122 0.000 0.968 1162 E CA 1.313 57.628 56.400 -0.142 0.000 0.867 1162 E CB -1.301 28.336 29.700 -0.104 0.000 0.819 1162 E HN 0.248 nan 8.360 nan 0.000 0.516 1163 T N 0.334 114.828 114.554 -0.100 0.000 2.891 1163 T HA 0.122 4.473 4.350 0.001 0.000 0.294 1163 T C -0.169 174.540 174.700 0.014 0.000 1.065 1163 T CA 0.232 62.314 62.100 -0.030 0.000 0.936 1163 T CB 0.601 69.454 68.868 -0.026 0.000 1.415 1163 T HN 0.318 nan 8.240 nan 0.000 0.572 1164 D N -1.028 119.452 120.400 0.134 0.000 2.363 1164 D HA 0.195 4.835 4.640 0.001 0.000 0.214 1164 D C 0.095 176.538 176.300 0.239 0.000 1.093 1164 D CA -0.225 53.860 54.000 0.142 0.000 0.837 1164 D CB -0.333 40.547 40.800 0.134 0.000 0.948 1164 D HN 0.564 nan 8.370 nan 0.000 0.507 1165 Y N -1.891 118.470 120.300 0.102 0.000 2.805 1165 Y HA 0.718 5.269 4.550 0.000 0.000 0.323 1165 Y C -1.824 174.217 175.900 0.234 0.000 1.279 1165 Y CA -2.237 55.961 58.100 0.163 0.000 1.103 1165 Y CB 1.067 39.607 38.460 0.132 0.000 1.324 1165 Y HN -0.127 nan 8.280 nan 0.000 0.498 1166 Y N 0.884 121.291 120.300 0.178 0.000 2.519 1166 Y HA 0.597 5.147 4.550 0.001 0.000 0.336 1166 Y C -1.521 174.571 175.900 0.320 0.000 1.089 1166 Y CA -1.376 56.754 58.100 0.050 0.000 1.025 1166 Y CB 1.896 40.393 38.460 0.062 0.000 1.318 1166 Y HN 0.887 nan 8.280 nan 0.000 0.452 1167 R N 5.775 126.084 120.500 -0.318 0.000 2.412 1167 R HA 0.391 4.731 4.340 0.001 0.000 0.304 1167 R C -1.008 175.141 176.300 -0.252 0.000 1.066 1167 R CA -0.739 55.347 56.100 -0.024 0.000 0.923 1167 R CB 0.613 30.983 30.300 0.118 0.000 1.156 1167 R HN 0.749 nan 8.270 nan 0.000 0.513 1172 G N 2.129 110.968 108.800 0.066 0.000 2.877 1172 G HA2 -0.163 3.798 3.960 0.001 0.000 0.279 1172 G HA3 -0.163 3.798 3.960 0.001 0.000 0.279 1172 G C -0.476 174.453 174.900 0.047 0.000 1.431 1172 G CA -0.522 44.610 45.100 0.054 0.000 0.883 1172 G HN 0.855 nan 8.290 nan 0.000 0.547 1173 L N -2.316 118.935 121.223 0.047 0.000 0.707 1173 L HA -0.173 4.167 4.340 0.001 0.000 0.358 1173 L C 0.116 177.036 176.870 0.083 0.000 1.005 1173 L CA 0.670 55.540 54.840 0.050 0.000 1.219 1173 L CB -0.394 41.681 42.059 0.027 0.000 0.031 1173 L HN 0.988 nan 8.230 nan 0.000 0.135 1174 L N 3.549 124.832 121.223 0.099 0.000 2.680 1174 L HA 0.308 4.649 4.340 0.001 0.000 0.260 1174 L C -2.113 174.852 176.870 0.157 0.000 0.975 1174 L CA -0.983 53.944 54.840 0.146 0.000 0.920 1174 L CB 2.200 44.341 42.059 0.137 0.000 1.234 1174 L HN 0.404 nan 8.230 nan 0.000 0.429 1175 P HA 0.110 nan 4.420 nan 0.000 0.231 1175 P C 1.146 178.651 177.300 0.341 0.000 1.811 1175 P CA -0.292 62.976 63.100 0.280 0.000 1.051 1175 P CB 0.873 32.728 31.700 0.260 0.000 1.951 1176 V N 2.942 122.984 119.914 0.214 0.000 2.357 1176 V HA -0.308 3.813 4.120 0.001 0.000 0.257 1176 V C 2.487 178.630 176.094 0.082 0.000 1.082 1176 V CA 1.951 64.317 62.300 0.110 0.000 1.078 1176 V CB -1.128 30.715 31.823 0.034 0.000 0.663 1176 V HN 0.443 nan 8.190 nan 0.000 0.455 1177 R N -1.649 118.946 120.500 0.158 0.000 2.235 1177 R HA -0.071 4.269 4.340 0.001 0.000 0.213 1177 R C 1.735 177.965 176.300 -0.117 0.000 1.059 1177 R CA 1.144 57.209 56.100 -0.058 0.000 0.997 1177 R CB -0.105 30.051 30.300 -0.240 0.000 0.884 1177 R HN 0.589 nan 8.270 nan 0.000 0.462 1178 W N -0.181 121.262 121.300 0.238 0.000 3.008 1178 W HA 0.308 4.968 4.660 0.000 0.000 0.355 1178 W C 0.019 176.751 176.519 0.354 0.000 1.095 1178 W CA -0.501 57.041 57.345 0.328 0.000 1.738 1178 W CB 0.369 29.995 29.460 0.276 0.000 1.091 1178 W HN -0.030 nan 8.180 nan 0.000 0.574 1179 M N 1.298 121.105 119.600 0.345 0.000 2.249 1179 M HA 0.098 4.579 4.480 0.001 0.000 0.351 1179 M C 1.097 177.168 176.300 -0.383 0.000 1.180 1179 M CA 0.260 55.602 55.300 0.069 0.000 1.127 1179 M CB 1.296 33.909 32.600 0.022 0.000 1.546 1179 M HN -0.250 nan 8.290 nan 0.000 0.461 1180 S N 2.653 117.901 115.700 -0.753 0.000 2.614 1180 S HA 0.291 4.761 4.470 0.001 0.000 0.265 1180 S C -2.202 171.763 174.600 -1.059 0.000 1.303 1180 S CA -1.154 56.105 58.200 -1.568 0.000 1.000 1180 S CB 0.474 63.094 63.200 -0.967 0.000 0.935 1180 S HN 0.426 nan 8.310 nan 0.000 0.551 1181 P HA -0.186 nan 4.420 nan 0.000 0.214 1181 P C 1.728 178.712 177.300 -0.527 0.000 1.163 1181 P CA 1.518 64.176 63.100 -0.737 0.000 0.883 1181 P CB -0.111 31.024 31.700 -0.942 0.000 0.788 1182 E N -0.339 119.537 120.200 -0.540 0.000 2.204 1182 E HA -0.128 4.223 4.350 0.001 0.000 0.195 1182 E C 1.628 178.025 176.600 -0.339 0.000 0.990 1182 E CA 1.492 57.676 56.400 -0.361 0.000 0.821 1182 E CB -1.217 28.301 29.700 -0.305 0.000 0.750 1182 E HN 0.181 nan 8.360 nan 0.000 0.477 1183 S N 0.881 116.307 115.700 -0.456 0.000 2.414 1183 S HA 0.108 4.578 4.470 0.001 0.000 0.227 1183 S C 2.065 176.476 174.600 -0.316 0.000 1.022 1183 S CA 0.367 58.239 58.200 -0.547 0.000 0.958 1183 S CB -0.117 62.571 63.200 -0.855 0.000 0.797 1183 S HN 0.197 nan 8.310 nan 0.000 0.493 1184 L N 0.999 122.052 121.223 -0.283 0.000 2.156 1184 L HA -0.046 4.294 4.340 0.001 0.000 0.208 1184 L C 2.379 179.178 176.870 -0.118 0.000 1.095 1184 L CA 1.125 55.863 54.840 -0.170 0.000 0.770 1184 L CB -0.251 41.693 42.059 -0.192 0.000 0.914 1184 L HN 0.270 nan 8.230 nan 0.000 0.439 1185 K N 0.104 120.420 120.400 -0.140 0.000 2.057 1185 K HA -0.075 4.245 4.320 0.001 0.000 0.209 1185 K C 1.310 177.871 176.600 -0.065 0.000 1.028 1185 K CA 1.088 57.322 56.287 -0.089 0.000 0.950 1185 K CB 0.170 32.617 32.500 -0.089 0.000 0.784 1185 K HN 0.045 nan 8.250 nan 0.000 0.448 1186 D N -0.146 120.205 120.400 -0.082 0.000 2.363 1186 D HA 0.064 4.704 4.640 0.001 0.000 0.226 1186 D C 0.598 176.892 176.300 -0.011 0.000 1.020 1186 D CA 0.984 54.954 54.000 -0.051 0.000 0.892 1186 D CB 0.303 41.060 40.800 -0.072 0.000 0.900 1186 D HN 0.647 nan 8.370 nan 0.000 0.531 1187 G N 1.195 109.984 108.800 -0.018 0.000 2.225 1187 G HA2 -0.245 3.716 3.960 0.001 0.000 0.267 1187 G HA3 -0.245 3.716 3.960 0.001 0.000 0.267 1187 G C 0.482 175.507 174.900 0.210 0.000 1.024 1187 G CA 0.726 45.886 45.100 0.099 0.000 0.784 1187 G HN 0.457 nan 8.290 nan 0.000 0.507 1188 V N -3.133 116.802 119.914 0.036 0.000 2.732 1188 V HA 0.955 5.075 4.120 0.001 0.000 0.310 1188 V C -0.232 175.873 176.094 0.019 0.000 1.053 1188 V CA -1.846 60.580 62.300 0.209 0.000 0.957 1188 V CB 1.736 33.620 31.823 0.101 0.000 1.018 1188 V HN 0.353 nan 8.190 nan 0.000 0.452 1189 F N 1.802 121.919 119.950 0.278 0.000 2.539 1189 F HA 0.797 5.324 4.527 0.000 0.000 0.318 1189 F C 0.560 176.508 175.800 0.247 0.000 1.135 1189 F CA -0.065 58.074 58.000 0.232 0.000 0.915 1189 F CB 2.186 41.319 39.000 0.221 0.000 1.176 1189 F HN 0.989 nan 8.300 nan 0.000 0.440 1190 T N -2.590 112.148 114.554 0.307 0.000 2.762 1190 T HA 0.288 4.638 4.350 0.001 0.000 0.272 1190 T C 0.726 175.508 174.700 0.137 0.000 0.982 1190 T CA -0.215 62.018 62.100 0.221 0.000 1.013 1190 T CB 1.525 70.522 68.868 0.216 0.000 1.309 1190 T HN 0.452 nan 8.240 nan 0.000 0.572 1191 T N -1.307 113.206 114.554 -0.069 0.000 3.043 1191 T HA 0.064 4.414 4.350 0.001 0.000 0.263 1191 T C 1.076 175.678 174.700 -0.164 0.000 1.094 1191 T CA 0.764 62.801 62.100 -0.105 0.000 1.127 1191 T CB -0.705 68.019 68.868 -0.239 0.000 0.905 1191 T HN 0.555 nan 8.240 nan 0.000 0.490 1192 Y N 1.693 122.008 120.300 0.025 0.000 2.352 1192 Y HA 0.004 4.554 4.550 0.000 0.000 0.292 1192 Y C 2.941 178.879 175.900 0.065 0.000 1.136 1192 Y CA 0.927 59.021 58.100 -0.010 0.000 1.227 1192 Y CB -0.718 37.743 38.460 0.002 0.000 0.991 1192 Y HN 0.333 nan 8.280 nan 0.000 0.545 1193 S N -0.792 115.042 115.700 0.224 0.000 2.428 1193 S HA -0.127 4.343 4.470 0.001 0.000 0.230 1193 S C 1.412 176.197 174.600 0.308 0.000 1.014 1193 S CA 1.302 59.611 58.200 0.182 0.000 0.957 1193 S CB -0.237 62.995 63.200 0.052 0.000 0.784 1193 S HN 0.285 nan 8.310 nan 0.000 0.499 1194 D N 1.173 121.752 120.400 0.297 0.000 2.234 1194 D HA 0.095 4.736 4.640 0.001 0.000 0.205 1194 D C 1.882 178.434 176.300 0.420 0.000 0.962 1194 D CA 0.490 54.731 54.000 0.402 0.000 0.855 1194 D CB -0.108 40.963 40.800 0.451 0.000 0.951 1194 D HN 0.342 nan 8.370 nan 0.000 0.500 1195 V N 0.638 120.624 119.914 0.119 0.000 2.719 1195 V HA -0.120 4.000 4.120 0.001 0.000 0.252 1195 V C 1.998 178.311 176.094 0.365 0.000 1.065 1195 V CA 0.781 63.077 62.300 -0.006 0.000 1.086 1195 V CB -0.298 31.367 31.823 -0.262 0.000 0.700 1195 V HN 0.392 nan 8.190 nan 0.000 0.467 1196 W N 1.510 122.956 121.300 0.244 0.000 2.381 1196 W HA -0.193 4.468 4.660 0.001 0.000 0.321 1196 W C 2.505 179.305 176.519 0.469 0.000 1.196 1196 W CA 2.005 59.566 57.345 0.361 0.000 1.304 1196 W CB -0.792 28.836 29.460 0.280 0.000 1.166 1196 W HN 0.322 nan 8.180 nan 0.000 0.473 1197 S N 1.356 117.561 115.700 0.841 0.000 2.381 1197 S HA -0.325 4.146 4.470 0.001 0.000 0.230 1197 S C 1.589 176.548 174.600 0.598 0.000 1.052 1197 S CA 2.142 60.791 58.200 0.749 0.000 1.068 1197 S CB -1.384 62.203 63.200 0.646 0.000 0.918 1197 S HN 0.387 nan 8.310 nan 0.000 0.448 1198 F N 2.535 122.717 119.950 0.386 0.000 2.065 1198 F HA -0.146 4.381 4.527 0.000 0.000 0.298 1198 F C 2.375 178.272 175.800 0.162 0.000 1.112 1198 F CA 1.557 59.728 58.000 0.285 0.000 1.212 1198 F CB -1.162 38.053 39.000 0.359 0.000 0.975 1198 F HN 0.214 nan 8.300 nan 0.000 0.476 1199 G N -0.049 108.750 108.800 -0.001 0.000 2.469 1199 G HA2 -0.259 3.701 3.960 0.001 0.000 0.219 1199 G HA3 -0.259 3.701 3.960 0.001 0.000 0.219 1199 G C 1.774 176.619 174.900 -0.092 0.000 1.150 1199 G CA 1.359 46.151 45.100 -0.513 0.000 0.763 1199 G HN 0.391 nan 8.290 nan 0.000 0.561 1200 V N 0.567 120.723 119.914 0.405 0.000 2.343 1200 V HA -0.184 3.937 4.120 0.001 0.000 0.247 1200 V C 3.062 179.356 176.094 0.333 0.000 1.051 1200 V CA 1.593 64.147 62.300 0.424 0.000 1.036 1200 V CB -0.363 31.561 31.823 0.169 0.000 0.654 1200 V HN 0.279 nan 8.190 nan 0.000 0.451 1201 V N -0.187 119.881 119.914 0.256 0.000 2.407 1201 V HA -0.247 3.873 4.120 0.001 0.000 0.248 1201 V C 2.258 178.352 176.094 0.000 0.000 1.055 1201 V CA 1.753 64.162 62.300 0.183 0.000 1.049 1201 V CB -0.643 31.235 31.823 0.092 0.000 0.662 1201 V HN 0.461 nan 8.190 nan 0.000 0.455 1202 L N -1.732 119.359 121.223 -0.221 0.000 2.201 1202 L HA -0.163 4.177 4.340 0.001 0.000 0.212 1202 L C 2.253 179.115 176.870 -0.013 0.000 1.105 1202 L CA 1.626 56.331 54.840 -0.224 0.000 0.775 1202 L CB -0.452 41.375 42.059 -0.388 0.000 0.913 1202 L HN 0.498 nan 8.230 nan 0.000 0.440 1203 W N 1.216 122.488 121.300 -0.046 0.000 2.436 1203 W HA -0.145 4.515 4.660 0.001 0.000 0.284 1203 W C 2.336 178.868 176.519 0.020 0.000 1.225 1203 W CA 1.082 58.452 57.345 0.042 0.000 1.271 1203 W CB 0.171 29.725 29.460 0.156 0.000 1.114 1203 W HN 0.076 nan 8.180 nan 0.000 0.559 1204 E N -0.138 120.233 120.200 0.284 0.000 2.268 1204 E HA -0.172 4.178 4.350 0.001 0.000 0.195 1204 E C 1.959 178.572 176.600 0.022 0.000 0.995 1204 E CA 1.160 57.682 56.400 0.204 0.000 0.836 1204 E CB -0.176 29.715 29.700 0.320 0.000 0.763 1204 E HN 0.367 nan 8.360 nan 0.000 0.491 1205 I N 0.093 120.648 120.570 -0.024 0.000 2.385 1205 I HA -0.104 4.066 4.170 0.001 0.000 0.244 1205 I C 2.287 178.321 176.117 -0.139 0.000 1.089 1205 I CA 0.587 61.850 61.300 -0.062 0.000 1.410 1205 I CB -0.117 37.851 38.000 -0.054 0.000 1.117 1205 I HN 0.031 nan 8.210 nan 0.000 0.429 1206 A N 0.284 122.989 122.820 -0.192 0.000 2.186 1206 A HA -0.170 4.150 4.320 0.001 0.000 0.219 1206 A C 1.888 179.268 177.584 -0.340 0.000 1.159 1206 A CA 2.054 53.944 52.037 -0.246 0.000 0.680 1206 A CB -0.942 17.905 19.000 -0.255 0.000 0.787 1206 A HN 0.546 nan 8.150 nan 0.000 0.467 1207 T N -4.220 110.088 114.554 -0.409 0.000 3.200 1207 T HA 0.460 4.811 4.350 0.001 0.000 0.284 1207 T C 0.389 174.943 174.700 -0.242 0.000 1.009 1207 T CA 0.002 61.846 62.100 -0.427 0.000 0.907 1207 T CB -0.563 67.842 68.868 -0.771 0.000 1.120 1207 T HN 0.497 nan 8.240 nan 0.000 0.534 1208 L N 0.893 122.012 121.223 -0.173 0.000 3.739 1208 L HA -0.264 4.076 4.340 0.001 0.000 0.442 1208 L C 0.947 177.778 176.870 -0.066 0.000 1.241 1208 L CA 0.300 55.072 54.840 -0.114 0.000 0.819 1208 L CB -2.211 39.775 42.059 -0.121 0.000 1.679 1208 L HN 0.874 nan 8.230 nan 0.000 0.889 1209 A N -1.053 121.751 122.820 -0.027 0.000 2.876 1209 A HA -0.179 4.141 4.320 0.001 0.000 0.287 1209 A C 0.791 178.429 177.584 0.090 0.000 1.455 1209 A CA 1.540 53.617 52.037 0.065 0.000 0.744 1209 A CB -1.241 17.803 19.000 0.074 0.000 1.041 1209 A HN 0.692 nan 8.150 nan 0.000 0.500 1210 E N -0.355 119.881 120.200 0.061 0.000 2.620 1210 E HA 0.306 4.657 4.350 0.001 0.000 0.255 1210 E C 0.497 177.263 176.600 0.278 0.000 1.346 1210 E CA -0.518 55.956 56.400 0.123 0.000 1.013 1210 E CB 0.419 30.156 29.700 0.063 0.000 1.131 1210 E HN 0.622 nan 8.360 nan 0.000 0.608 1211 Q N 1.311 121.266 119.800 0.257 0.000 2.303 1211 Q HA 0.242 4.582 4.340 0.001 0.000 0.257 1211 Q C -2.430 173.658 176.000 0.146 0.000 0.941 1211 Q CA -2.160 53.776 55.803 0.223 0.000 0.931 1211 Q CB 1.061 29.895 28.738 0.160 0.000 1.215 1211 Q HN 0.071 nan 8.270 nan 0.000 0.437 1212 P HA -0.099 nan 4.420 nan 0.000 0.264 1212 P C -1.451 175.659 177.300 -0.318 0.000 1.183 1212 P CA 0.539 63.283 63.100 -0.594 0.000 0.763 1212 P CB 0.063 31.329 31.700 -0.723 0.000 0.807 1213 Y N -0.135 119.888 120.300 -0.462 0.000 2.942 1213 Y HA -0.252 4.298 4.550 0.001 0.000 0.149 1213 Y C 0.736 176.547 175.900 -0.148 0.000 1.751 1213 Y CA 0.176 58.115 58.100 -0.269 0.000 0.938 1213 Y CB -2.468 35.861 38.460 -0.218 0.000 1.525 1213 Y HN 0.435 nan 8.280 nan 0.000 0.350 1214 Q N 0.818 120.612 119.800 -0.009 0.000 2.417 1214 Q HA 0.391 4.732 4.340 0.001 0.000 0.241 1214 Q C 1.375 177.379 176.000 0.008 0.000 1.008 1214 Q CA 0.065 55.885 55.803 0.028 0.000 0.901 1214 Q CB 0.826 29.594 28.738 0.051 0.000 1.259 1214 Q HN 0.890 nan 8.270 nan 0.000 0.489 1215 G N 1.270 110.077 108.800 0.011 0.000 2.379 1215 G HA2 -0.257 3.703 3.960 0.001 0.000 0.297 1215 G HA3 -0.257 3.703 3.960 0.001 0.000 0.297 1215 G C -0.332 174.554 174.900 -0.023 0.000 1.004 1215 G CA 0.232 45.329 45.100 -0.006 0.000 0.921 1215 G HN 0.371 nan 8.290 nan 0.000 0.511 1216 L N 0.578 121.793 121.223 -0.013 0.000 2.476 1216 L HA 0.409 4.749 4.340 0.001 0.000 0.269 1216 L C 0.790 177.648 176.870 -0.020 0.000 0.965 1216 L CA -0.589 54.231 54.840 -0.034 0.000 0.845 1216 L CB 2.086 44.113 42.059 -0.053 0.000 1.259 1216 L HN 0.362 nan 8.230 nan 0.000 0.403 1217 S N 1.080 116.765 115.700 -0.025 0.000 2.579 1217 S HA 0.137 4.608 4.470 0.001 0.000 0.275 1217 S C 0.915 175.499 174.600 -0.027 0.000 1.345 1217 S CA -0.644 57.548 58.200 -0.014 0.000 1.031 1217 S CB 0.922 64.115 63.200 -0.012 0.000 0.892 1217 S HN 0.613 nan 8.310 nan 0.000 0.529 1218 N N 1.458 120.151 118.700 -0.012 0.000 2.192 1218 N HA -0.142 4.598 4.740 0.001 0.000 0.188 1218 N C 1.456 176.945 175.510 -0.036 0.000 1.013 1218 N CA 1.104 54.139 53.050 -0.024 0.000 0.863 1218 N CB -0.408 38.086 38.487 0.011 0.000 0.990 1218 N HN 0.699 nan 8.380 nan 0.000 0.430 1219 E N 1.279 121.466 120.200 -0.022 0.000 2.150 1219 E HA -0.103 4.247 4.350 0.001 0.000 0.193 1219 E C 1.690 178.274 176.600 -0.027 0.000 0.985 1219 E CA 0.721 57.109 56.400 -0.020 0.000 0.814 1219 E CB 0.130 29.824 29.700 -0.010 0.000 0.752 1219 E HN 0.523 nan 8.360 nan 0.000 0.466 1220 Q N -0.251 119.528 119.800 -0.035 0.000 2.083 1220 Q HA -0.060 4.281 4.340 0.001 0.000 0.198 1220 Q C 2.330 178.308 176.000 -0.037 0.000 0.969 1220 Q CA 1.051 56.832 55.803 -0.036 0.000 0.838 1220 Q CB 0.141 28.844 28.738 -0.057 0.000 0.900 1220 Q HN 0.121 nan 8.270 nan 0.000 0.436 1221 V N 1.970 121.820 119.914 -0.107 0.000 2.407 1221 V HA -0.239 3.881 4.120 0.001 0.000 0.248 1221 V C 2.229 178.211 176.094 -0.186 0.000 1.055 1221 V CA 1.202 63.358 62.300 -0.240 0.000 1.049 1221 V CB -0.638 30.912 31.823 -0.457 0.000 0.662 1221 V HN 0.438 nan 8.190 nan 0.000 0.455 1222 L N 1.075 122.225 121.223 -0.122 0.000 1.970 1222 L HA -0.205 4.135 4.340 0.001 0.000 0.212 1222 L C 2.715 179.546 176.870 -0.064 0.000 1.071 1222 L CA 2.260 57.043 54.840 -0.095 0.000 0.751 1222 L CB -0.782 41.243 42.059 -0.056 0.000 0.889 1222 L HN 0.319 nan 8.230 nan 0.000 0.432 1223 R N -1.293 119.196 120.500 -0.018 0.000 2.148 1223 R HA -0.151 4.190 4.340 0.001 0.000 0.223 1223 R C 2.129 178.462 176.300 0.056 0.000 1.088 1223 R CA 1.047 57.152 56.100 0.009 0.000 0.985 1223 R CB -0.533 29.779 30.300 0.020 0.000 0.880 1223 R HN 0.321 nan 8.270 nan 0.000 0.451 1224 F N 1.962 121.856 119.950 -0.094 0.000 2.031 1224 F HA -0.184 4.343 4.527 0.000 0.000 0.295 1224 F C 2.159 177.932 175.800 -0.046 0.000 1.133 1224 F CA 1.176 59.133 58.000 -0.071 0.000 1.188 1224 F CB -0.717 38.226 39.000 -0.095 0.000 0.974 1224 F HN -0.320 nan 8.300 nan 0.000 0.473 1225 V N 0.970 120.729 119.914 -0.258 0.000 2.278 1225 V HA -0.418 3.702 4.120 0.001 0.000 0.251 1225 V C 2.634 178.638 176.094 -0.150 0.000 1.062 1225 V CA 2.486 64.618 62.300 -0.281 0.000 1.038 1225 V CB -0.744 30.956 31.823 -0.205 0.000 0.646 1225 V HN 0.449 nan 8.190 nan 0.000 0.447 1226 M N -0.755 118.785 119.600 -0.101 0.000 2.080 1226 M HA -0.243 4.237 4.480 0.001 0.000 0.260 1226 M C 2.096 178.413 176.300 0.029 0.000 1.068 1226 M CA 1.925 57.223 55.300 -0.003 0.000 1.109 1226 M CB -0.446 32.136 32.600 -0.030 0.000 1.342 1226 M HN 0.336 nan 8.290 nan 0.000 0.405 1227 E N -0.749 119.417 120.200 -0.056 0.000 2.515 1227 E HA -0.059 4.292 4.350 0.001 0.000 0.201 1227 E C 0.984 177.490 176.600 -0.157 0.000 1.071 1227 E CA 0.479 56.826 56.400 -0.089 0.000 0.880 1227 E CB -0.076 29.600 29.700 -0.041 0.000 0.828 1227 E HN 0.764 nan 8.360 nan 0.000 0.540 1228 G N 0.410 109.123 108.800 -0.146 0.000 2.184 1228 G HA2 -0.199 3.761 3.960 0.001 0.000 0.206 1228 G HA3 -0.199 3.761 3.960 0.001 0.000 0.206 1228 G C 0.459 175.217 174.900 -0.237 0.000 0.995 1228 G CA -0.372 44.645 45.100 -0.139 0.000 0.651 1228 G HN 0.471 nan 8.290 nan 0.000 0.511 1229 G N -0.472 107.947 108.800 -0.636 0.000 2.569 1229 G HA2 0.615 4.575 3.960 0.001 0.000 0.249 1229 G HA3 0.615 4.575 3.960 0.001 0.000 0.249 1229 G C -0.118 174.380 174.900 -0.670 0.000 1.216 1229 G CA -0.024 44.328 45.100 -1.246 0.000 0.845 1229 G HN 0.790 nan 8.290 nan 0.000 0.568 1230 L N -0.308 120.737 121.223 -0.297 0.000 2.409 1230 L HA 0.412 4.752 4.340 0.001 0.000 0.255 1230 L C 0.057 176.865 176.870 -0.104 0.000 1.027 1230 L CA -0.989 53.743 54.840 -0.180 0.000 0.834 1230 L CB 2.005 43.989 42.059 -0.125 0.000 1.426 1230 L HN 0.339 nan 8.230 nan 0.000 0.411 1231 L N 0.477 121.356 121.223 -0.574 0.000 2.474 1231 L HA 0.174 4.515 4.340 0.001 0.000 0.259 1231 L C -0.357 176.441 176.870 -0.120 0.000 1.232 1231 L CA 0.011 54.448 54.840 -0.671 0.000 0.821 1231 L CB 0.260 41.483 42.059 -1.393 0.000 1.108 1231 L HN 0.494 nan 8.230 nan 0.000 0.495 1232 D N 0.034 120.458 120.400 0.041 0.000 2.272 1232 D HA 0.144 4.784 4.640 0.001 0.000 0.247 1232 D C -0.359 176.132 176.300 0.318 0.000 0.990 1232 D CA -0.559 53.565 54.000 0.206 0.000 0.931 1232 D CB 1.485 42.350 40.800 0.108 0.000 1.195 1232 D HN 0.253 nan 8.370 nan 0.000 0.477 1233 K N 2.068 122.438 120.400 -0.051 0.000 2.395 1233 K HA 0.128 4.448 4.320 0.001 0.000 0.283 1233 K C -2.282 174.215 176.600 -0.172 0.000 1.068 1233 K CA -0.883 55.131 56.287 -0.454 0.000 1.039 1233 K CB 0.125 31.861 32.500 -1.274 0.000 0.924 1233 K HN 0.044 nan 8.250 nan 0.000 0.468 1234 P HA -0.040 nan 4.420 nan 0.000 0.268 1234 P C -0.931 176.259 177.300 -0.183 0.000 1.208 1234 P CA -0.042 62.940 63.100 -0.196 0.000 0.777 1234 P CB 0.463 31.906 31.700 -0.428 0.000 0.875 1235 D N 1.843 122.152 120.400 -0.153 0.000 2.443 1235 D HA -0.037 4.603 4.640 0.001 0.000 0.239 1235 D C 0.373 176.597 176.300 -0.127 0.000 1.136 1235 D CA 0.504 54.428 54.000 -0.126 0.000 0.879 1235 D CB -0.250 40.491 40.800 -0.099 0.000 1.195 1235 D HN 0.440 nan 8.370 nan 0.000 0.443 1236 N N -0.274 118.362 118.700 -0.107 0.000 2.716 1236 N HA -0.215 4.525 4.740 0.001 0.000 0.250 1236 N C -0.382 175.066 175.510 -0.102 0.000 1.033 1236 N CA 0.067 53.061 53.050 -0.093 0.000 0.727 1236 N CB -1.039 37.399 38.487 -0.082 0.000 0.950 1236 N HN 0.363 nan 8.380 nan 0.000 0.541 1237 C N 0.675 119.906 119.300 -0.115 0.000 2.319 1237 C HA 0.481 4.941 4.460 0.001 0.000 0.335 1237 C C -2.022 172.928 174.990 -0.066 0.000 1.274 1237 C CA -2.050 56.904 59.018 -0.107 0.000 1.806 1237 C CB 0.296 27.955 27.740 -0.135 0.000 2.329 1237 C HN 0.205 nan 8.230 nan 0.000 0.524 1238 P HA 0.079 nan 4.420 nan 0.000 0.261 1238 P C 0.327 177.640 177.300 0.022 0.000 1.183 1238 P CA 0.614 63.702 63.100 -0.019 0.000 0.761 1238 P CB 0.575 32.260 31.700 -0.025 0.000 0.785 1239 D N 2.571 122.988 120.400 0.028 0.000 2.127 1239 D HA -0.234 4.406 4.640 0.001 0.000 0.190 1239 D C 1.734 178.089 176.300 0.092 0.000 1.000 1239 D CA 1.446 55.492 54.000 0.077 0.000 0.839 1239 D CB -0.584 40.247 40.800 0.051 0.000 0.955 1239 D HN 0.425 nan 8.370 nan 0.000 0.446 1240 M N -0.003 119.620 119.600 0.039 0.000 2.226 1240 M HA -0.264 4.216 4.480 0.001 0.000 0.257 1240 M C 2.136 178.440 176.300 0.007 0.000 1.070 1240 M CA 1.564 56.873 55.300 0.015 0.000 1.087 1240 M CB -0.326 32.272 32.600 -0.003 0.000 1.278 1240 M HN 0.110 nan 8.290 nan 0.000 0.426 1241 L N 0.347 121.574 121.223 0.007 0.000 2.089 1241 L HA -0.237 4.103 4.340 0.001 0.000 0.213 1241 L C 2.175 179.045 176.870 0.001 0.000 1.079 1241 L CA 1.991 56.822 54.840 -0.016 0.000 0.758 1241 L CB -1.126 40.920 42.059 -0.022 0.000 0.891 1241 L HN 0.497 nan 8.230 nan 0.000 0.433 1242 F N 0.437 120.334 119.950 -0.087 0.000 2.206 1242 F HA -0.135 4.392 4.527 0.001 0.000 0.298 1242 F C 2.297 178.035 175.800 -0.103 0.000 1.090 1242 F CA 1.630 59.584 58.000 -0.078 0.000 1.323 1242 F CB -0.301 38.687 39.000 -0.021 0.000 1.028 1242 F HN 0.253 nan 8.300 nan 0.000 0.492 1243 E N 0.312 120.423 120.200 -0.148 0.000 2.118 1243 E HA -0.240 4.110 4.350 0.001 0.000 0.195 1243 E C 2.367 178.802 176.600 -0.275 0.000 0.992 1243 E CA 1.307 57.568 56.400 -0.231 0.000 0.804 1243 E CB -0.478 29.174 29.700 -0.081 0.000 0.741 1243 E HN 0.439 nan 8.360 nan 0.000 0.458 1244 L N 0.266 121.357 121.223 -0.220 0.000 2.275 1244 L HA -0.127 4.214 4.340 0.001 0.000 0.215 1244 L C 2.237 178.874 176.870 -0.387 0.000 1.119 1244 L CA 0.712 55.428 54.840 -0.207 0.000 0.790 1244 L CB -0.006 41.985 42.059 -0.113 0.000 0.919 1244 L HN 0.275 nan 8.230 nan 0.000 0.443 1245 M N -1.414 117.831 119.600 -0.591 0.000 2.115 1245 M HA -0.128 4.352 4.480 0.001 0.000 0.261 1245 M C 2.271 177.901 176.300 -1.116 0.000 1.079 1245 M CA 1.257 55.884 55.300 -1.121 0.000 1.143 1245 M CB -0.318 31.620 32.600 -1.103 0.000 1.332 1245 M HN 0.053 nan 8.290 nan 0.000 0.421 1246 R N 0.208 120.236 120.500 -0.786 0.000 2.117 1246 R HA -0.144 4.196 4.340 0.001 0.000 0.243 1246 R C 1.968 178.100 176.300 -0.279 0.000 1.143 1246 R CA 1.651 57.486 56.100 -0.440 0.000 0.968 1246 R CB -0.932 29.076 30.300 -0.486 0.000 0.863 1246 R HN 0.490 nan 8.270 nan 0.000 0.444 1247 M N -0.402 119.018 119.600 -0.300 0.000 2.084 1247 M HA -0.226 4.255 4.480 0.001 0.000 0.259 1247 M C 2.545 178.751 176.300 -0.156 0.000 1.072 1247 M CA 1.820 57.016 55.300 -0.174 0.000 1.107 1247 M CB -0.439 32.075 32.600 -0.144 0.000 1.299 1247 M HN 0.140 nan 8.290 nan 0.000 0.413 1248 C N -0.845 118.290 119.300 -0.276 0.000 2.401 1248 C HA -0.175 4.286 4.460 0.001 0.000 0.286 1248 C C 1.559 176.481 174.990 -0.113 0.000 1.332 1248 C CA 0.336 59.223 59.018 -0.219 0.000 1.795 1248 C CB -1.290 26.241 27.740 -0.349 0.000 1.922 1248 C HN 0.648 nan 8.230 nan 0.000 0.520 1249 W N 0.937 122.093 121.300 -0.240 0.000 3.269 1249 W HA 0.292 4.952 4.660 0.001 0.000 0.413 1249 W C 0.480 177.028 176.519 0.049 0.000 1.057 1249 W CA -0.604 56.515 57.345 -0.377 0.000 1.953 1249 W CB -1.069 27.940 29.460 -0.751 0.000 1.053 1249 W HN 0.428 nan 8.180 nan 0.000 0.753 1250 Q N -0.023 119.939 119.800 0.269 0.000 2.364 1250 Q HA -0.095 4.245 4.340 0.001 0.000 0.267 1250 Q C 1.006 177.195 176.000 0.315 0.000 0.999 1250 Q CA 0.179 56.119 55.803 0.228 0.000 0.886 1250 Q CB 0.955 29.759 28.738 0.111 0.000 1.243 1250 Q HN 0.268 nan 8.270 nan 0.000 0.415 1251 Y N 2.769 123.168 120.300 0.165 0.000 2.114 1251 Y HA -0.204 4.346 4.550 0.000 0.000 0.284 1251 Y C 1.149 177.069 175.900 0.033 0.000 1.143 1251 Y CA 1.606 59.769 58.100 0.104 0.000 1.135 1251 Y CB 0.236 38.715 38.460 0.031 0.000 0.980 1251 Y HN 0.676 nan 8.280 nan 0.000 0.499 1252 N N 0.887 119.658 118.700 0.117 0.000 2.420 1252 N HA 0.017 4.757 4.740 0.001 0.000 0.262 1252 N C -2.210 173.248 175.510 -0.088 0.000 1.144 1252 N CA -1.258 51.790 53.050 -0.003 0.000 0.952 1252 N CB 1.289 39.791 38.487 0.025 0.000 1.081 1252 N HN 0.044 nan 8.380 nan 0.000 0.480 1253 P HA -0.199 nan 4.420 nan 0.000 0.217 1253 P C 0.891 177.829 177.300 -0.603 0.000 1.148 1253 P CA 1.237 64.193 63.100 -0.241 0.000 0.828 1253 P CB 0.221 31.837 31.700 -0.140 0.000 0.783 1254 K N -1.080 119.033 120.400 -0.478 0.000 2.103 1254 K HA -0.053 4.267 4.320 0.001 0.000 0.207 1254 K C 1.648 178.052 176.600 -0.326 0.000 1.048 1254 K CA 1.233 57.229 56.287 -0.484 0.000 0.930 1254 K CB -0.661 31.699 32.500 -0.233 0.000 0.716 1254 K HN 0.246 nan 8.250 nan 0.000 0.444 1255 M N 0.604 120.089 119.600 -0.191 0.000 2.619 1255 M HA 0.018 4.498 4.480 0.001 0.000 0.251 1255 M C 0.297 176.553 176.300 -0.073 0.000 1.106 1255 M CA 0.448 55.691 55.300 -0.095 0.000 1.086 1255 M CB -0.639 31.941 32.600 -0.033 0.000 1.465 1255 M HN -0.111 nan 8.290 nan 0.000 0.506 1256 R N 1.974 122.410 120.500 -0.106 0.000 2.265 1256 R HA 0.251 4.591 4.340 0.001 0.000 0.314 1256 R C -2.085 174.226 176.300 0.018 0.000 1.053 1256 R CA -1.366 54.724 56.100 -0.017 0.000 0.931 1256 R CB 0.230 30.565 30.300 0.059 0.000 1.024 1256 R HN 0.049 nan 8.270 nan 0.000 0.457 1257 P HA -0.047 nan 4.420 nan 0.000 0.267 1257 P C -0.543 176.768 177.300 0.018 0.000 1.200 1257 P CA -0.130 62.986 63.100 0.027 0.000 0.772 1257 P CB 0.961 32.664 31.700 0.005 0.000 0.855 1258 S N 1.367 117.097 115.700 0.051 0.000 2.624 1258 S HA 0.174 4.645 4.470 0.001 0.000 0.263 1258 S C 1.117 175.681 174.600 -0.061 0.000 1.287 1258 S CA -0.338 57.851 58.200 -0.018 0.000 0.990 1258 S CB -0.081 63.163 63.200 0.073 0.000 0.950 1258 S HN 0.233 nan 8.310 nan 0.000 0.561 1259 F N 0.322 120.268 119.950 -0.007 0.000 2.171 1259 F HA 0.020 4.547 4.527 0.000 0.000 0.300 1259 F C 2.103 177.914 175.800 0.019 0.000 1.090 1259 F CA 0.941 58.895 58.000 -0.078 0.000 1.293 1259 F CB -0.813 38.130 39.000 -0.096 0.000 1.013 1259 F HN 0.455 nan 8.300 nan 0.000 0.486 1260 L N -0.442 120.958 121.223 0.294 0.000 2.093 1260 L HA -0.201 4.139 4.340 0.001 0.000 0.208 1260 L C 2.239 179.261 176.870 0.253 0.000 1.085 1260 L CA 1.436 56.469 54.840 0.322 0.000 0.755 1260 L CB -0.681 41.551 42.059 0.289 0.000 0.904 1260 L HN 0.188 nan 8.230 nan 0.000 0.435 1261 E N 0.125 120.424 120.200 0.165 0.000 2.153 1261 E HA -0.191 4.159 4.350 0.001 0.000 0.194 1261 E C 2.177 178.826 176.600 0.081 0.000 0.988 1261 E CA 0.907 57.378 56.400 0.118 0.000 0.811 1261 E CB 0.030 29.780 29.700 0.085 0.000 0.746 1261 E HN 0.492 nan 8.360 nan 0.000 0.466 1262 I N 0.995 121.608 120.570 0.071 0.000 2.086 1262 I HA -0.295 3.876 4.170 0.001 0.000 0.233 1262 I C 2.374 178.496 176.117 0.008 0.000 1.060 1262 I CA 1.137 62.462 61.300 0.041 0.000 1.326 1262 I CB -0.320 37.697 38.000 0.030 0.000 1.067 1262 I HN 0.070 nan 8.210 nan 0.000 0.398 1263 I N 0.463 121.032 120.570 -0.002 0.000 2.227 1263 I HA -0.427 3.744 4.170 0.001 0.000 0.250 1263 I C 2.749 178.705 176.117 -0.269 0.000 1.087 1263 I CA 1.800 63.018 61.300 -0.136 0.000 1.352 1263 I CB -0.517 37.415 38.000 -0.114 0.000 1.043 1263 I HN 0.342 nan 8.210 nan 0.000 0.425 1264 S N 0.566 116.189 115.700 -0.129 0.000 2.345 1264 S HA -0.193 4.278 4.470 0.001 0.000 0.220 1264 S C 2.184 176.767 174.600 -0.029 0.000 1.031 1264 S CA 1.741 59.906 58.200 -0.059 0.000 0.996 1264 S CB -0.426 62.853 63.200 0.132 0.000 0.882 1264 S HN 0.608 nan 8.310 nan 0.000 0.445 1265 S N 1.306 117.002 115.700 -0.006 0.000 2.537 1265 S HA 0.033 4.504 4.470 0.001 0.000 0.240 1265 S C 1.344 175.931 174.600 -0.021 0.000 0.981 1265 S CA 0.811 59.010 58.200 -0.001 0.000 0.948 1265 S CB -0.870 62.333 63.200 0.006 0.000 0.759 1265 S HN 0.886 nan 8.310 nan 0.000 0.531 1266 I N -2.747 117.790 120.570 -0.055 0.000 4.263 1266 I HA 0.338 4.508 4.170 0.001 0.000 0.335 1266 I C 1.258 177.309 176.117 -0.111 0.000 1.389 1266 I CA -0.615 60.643 61.300 -0.070 0.000 1.156 1266 I CB 0.075 38.031 38.000 -0.074 0.000 1.510 1266 I HN 0.086 nan 8.210 nan 0.000 0.566 1267 K N 1.117 121.443 120.400 -0.123 0.000 2.152 1267 K HA -0.115 4.205 4.320 0.001 0.000 0.206 1267 K C 1.158 177.761 176.600 0.006 0.000 1.048 1267 K CA 1.776 57.987 56.287 -0.127 0.000 0.933 1267 K CB -0.259 32.138 32.500 -0.171 0.000 0.721 1267 K HN 0.280 nan 8.250 nan 0.000 0.447 1268 E N 0.665 120.878 120.200 0.022 0.000 2.494 1268 E HA -0.020 4.331 4.350 0.001 0.000 0.193 1268 E C 0.577 177.185 176.600 0.014 0.000 1.074 1268 E CA 0.263 56.693 56.400 0.050 0.000 0.867 1268 E CB 0.359 30.090 29.700 0.052 0.000 0.924 1268 E HN 0.320 nan 8.360 nan 0.000 0.502 1269 E N -0.642 119.540 120.200 -0.030 0.000 2.526 1269 E HA 0.087 4.438 4.350 0.001 0.000 0.208 1269 E C 0.375 176.932 176.600 -0.073 0.000 0.997 1269 E CA 0.028 56.401 56.400 -0.044 0.000 0.961 1269 E CB 0.220 29.886 29.700 -0.057 0.000 1.030 1269 E HN 0.223 nan 8.360 nan 0.000 0.483 1270 M N 0.953 120.490 119.600 -0.105 0.000 2.036 1270 M HA 0.186 4.666 4.480 0.001 0.000 0.276 1270 M C 0.637 176.930 176.300 -0.012 0.000 1.262 1270 M CA 0.058 55.262 55.300 -0.161 0.000 1.097 1270 M CB -0.050 32.336 32.600 -0.357 0.000 1.386 1270 M HN -0.146 nan 8.290 nan 0.000 0.482 1271 E N 0.332 120.552 120.200 0.033 0.000 2.283 1271 E HA 0.198 4.549 4.350 0.001 0.000 0.271 1271 E C -1.712 174.991 176.600 0.170 0.000 1.031 1271 E CA -1.655 54.800 56.400 0.092 0.000 0.868 1271 E CB 0.603 30.358 29.700 0.092 0.000 1.094 1271 E HN 0.346 nan 8.360 nan 0.000 0.401 1272 P HA -0.271 nan 4.420 nan 0.000 0.216 1272 P C 1.346 178.748 177.300 0.171 0.000 1.167 1272 P CA 1.779 64.961 63.100 0.137 0.000 0.914 1272 P CB -0.030 31.722 31.700 0.086 0.000 0.793 1273 G N -1.091 107.804 108.800 0.157 0.000 2.547 1273 G HA2 -0.352 3.608 3.960 0.001 0.000 0.221 1273 G HA3 -0.352 3.608 3.960 0.001 0.000 0.221 1273 G C 1.378 176.405 174.900 0.212 0.000 1.140 1273 G CA 0.877 46.067 45.100 0.150 0.000 0.760 1273 G HN 0.177 nan 8.290 nan 0.000 0.583 1274 F N 1.750 121.790 119.950 0.151 0.000 2.082 1274 F HA -0.304 4.223 4.527 0.001 0.000 0.298 1274 F C 2.658 178.611 175.800 0.256 0.000 1.091 1274 F CA 2.476 60.603 58.000 0.213 0.000 1.230 1274 F CB -0.426 38.688 39.000 0.190 0.000 0.983 1274 F HN 0.188 nan 8.300 nan 0.000 0.485 1275 R N 0.331 120.978 120.500 0.245 0.000 2.117 1275 R HA -0.207 4.134 4.340 0.001 0.000 0.243 1275 R C 1.961 178.276 176.300 0.026 0.000 1.143 1275 R CA 2.154 58.383 56.100 0.215 0.000 0.968 1275 R CB -0.380 29.944 30.300 0.040 0.000 0.863 1275 R HN 0.506 nan 8.270 nan 0.000 0.444 1276 E N -0.589 119.602 120.200 -0.016 0.000 2.435 1276 E HA -0.066 4.284 4.350 0.001 0.000 0.195 1276 E C 1.581 178.110 176.600 -0.119 0.000 1.029 1276 E CA 0.909 57.271 56.400 -0.063 0.000 0.865 1276 E CB 0.679 30.348 29.700 -0.052 0.000 0.833 1276 E HN 0.409 nan 8.360 nan 0.000 0.510 1277 V N -2.080 117.737 119.914 -0.162 0.000 3.250 1277 V HA 0.108 4.228 4.120 0.001 0.000 0.240 1277 V C 1.032 176.968 176.094 -0.264 0.000 1.275 1277 V CA -0.096 62.041 62.300 -0.272 0.000 1.206 1277 V CB 0.210 31.725 31.823 -0.514 0.000 0.976 1277 V HN 0.113 nan 8.190 nan 0.000 0.467 1278 S N 0.874 116.379 115.700 -0.324 0.000 2.558 1278 S HA 0.059 4.529 4.470 0.001 0.000 0.293 1278 S C 0.789 175.296 174.600 -0.156 0.000 1.292 1278 S CA 0.310 58.288 58.200 -0.370 0.000 1.063 1278 S CB 0.032 62.545 63.200 -1.146 0.000 0.831 1278 S HN 0.622 nan 8.310 nan 0.000 0.499 1279 F N 3.928 123.811 119.950 -0.113 0.000 2.269 1279 F HA -0.094 4.434 4.527 0.001 0.000 0.301 1279 F C 1.734 177.552 175.800 0.029 0.000 1.082 1279 F CA 1.428 59.425 58.000 -0.006 0.000 1.360 1279 F CB -0.529 38.526 39.000 0.093 0.000 1.041 1279 F HN 0.851 nan 8.300 nan 0.000 0.512 1280 Y N -0.194 120.002 120.300 -0.172 0.000 2.181 1280 Y HA -0.261 4.289 4.550 0.001 0.000 0.288 1280 Y C 1.416 177.107 175.900 -0.348 0.000 1.146 1280 Y CA 2.057 59.993 58.100 -0.274 0.000 1.164 1280 Y CB -0.759 37.578 38.460 -0.206 0.000 0.982 1280 Y HN 0.211 nan 8.280 nan 0.000 0.515 1281 Y N 0.147 120.380 120.300 -0.111 0.000 2.493 1281 Y HA 0.136 4.686 4.550 0.001 0.000 0.275 1281 Y C 1.313 177.081 175.900 -0.221 0.000 1.183 1281 Y CA -0.466 57.551 58.100 -0.138 0.000 1.258 1281 Y CB 0.086 38.520 38.460 -0.043 0.000 1.108 1281 Y HN 0.052 nan 8.280 nan 0.000 0.521 1282 S N -0.502 115.085 115.700 -0.187 0.000 2.655 1282 S HA 0.090 4.560 4.470 0.001 0.000 0.265 1282 S C 0.977 175.454 174.600 -0.206 0.000 1.240 1282 S CA -0.624 57.462 58.200 -0.190 0.000 0.986 1282 S CB 1.223 64.292 63.200 -0.217 0.000 0.985 1282 S HN 0.399 nan 8.310 nan 0.000 0.562 1283 E N 0.264 120.387 120.200 -0.128 0.000 2.072 1283 E HA -0.127 4.224 4.350 0.001 0.000 0.190 1283 E C 1.806 178.348 176.600 -0.097 0.000 0.982 1283 E CA 0.867 57.211 56.400 -0.093 0.000 0.803 1283 E CB -0.261 29.412 29.700 -0.046 0.000 0.755 1283 E HN 0.879 nan 8.360 nan 0.000 0.453 1284 E N 1.460 121.617 120.200 -0.072 0.000 2.284 1284 E HA -0.224 4.127 4.350 0.001 0.000 0.200 1284 E C 0.807 177.382 176.600 -0.042 0.000 1.008 1284 E CA 0.587 57.002 56.400 0.024 0.000 0.829 1284 E CB -0.089 29.742 29.700 0.218 0.000 0.744 1284 E HN 0.002 nan 8.360 nan 0.000 0.491 1285 N N 0.690 119.209 118.700 -0.301 0.000 3.111 1285 N HA 0.036 4.776 4.740 0.001 0.000 0.302 1285 N C -1.234 174.191 175.510 -0.142 0.000 1.317 1285 N CA 0.145 53.007 53.050 -0.314 0.000 1.151 1285 N CB 0.066 38.178 38.487 -0.626 0.000 1.456 1285 N HN -0.048 nan 8.380 nan 0.000 0.547 1286 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1286 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 1286 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543