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 1ir3_1_A DATA FIRST_RESID 981 DATA SEQUENCE SSVFVPDEWE VSREKITLLR ELGQGSFGMV YEGNARDIIK GEAETRVAVK DATA SEQUENCE TVNESASLRE RIEFLNEASV MKGFTCHHVV RLLGVVSKGQ PTLVVMELMA DATA SEQUENCE HGDLKSYLRS LRPEAENNPG RPPPTLQEMI QMAAEIADGM AYLNAKKFVH DATA SEQUENCE RDLAARNCMV AHDFTVKIGD FGMTRDIXET DXXRKGGKGL LPVRWMAPES DATA SEQUENCE LKDGVFTTSS DMWSFGVVLW EITSLAEQPY QGLSNEQVLK FVMDGGYLDQ DATA SEQUENCE PDNCPERVTD LMRMCWQFNP KMRPTFLEIV NLLKDDLHPS FPEVSFFHSE DATA SEQUENCE ENK 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 981 S HA 0.000 nan 4.470 nan 0.000 0.327 981 S C 0.000 174.624 174.600 0.040 0.000 1.055 981 S CA 0.000 58.271 58.200 0.118 0.000 1.107 981 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 982 S N 2.186 117.870 115.700 -0.027 0.000 2.402 982 S HA -0.121 4.351 4.470 0.002 0.000 0.233 982 S C 1.811 176.347 174.600 -0.106 0.000 1.030 982 S CA 2.159 60.337 58.200 -0.037 0.000 1.003 982 S CB -0.547 62.631 63.200 -0.037 0.000 0.813 982 S HN 0.762 nan 8.310 nan 0.000 0.477 983 V N 0.735 120.487 119.914 -0.269 0.000 2.568 983 V HA -0.142 3.979 4.120 0.002 0.000 0.253 983 V C 1.791 177.661 176.094 -0.373 0.000 1.072 983 V CA 1.548 63.615 62.300 -0.389 0.000 1.084 983 V CB -1.141 30.315 31.823 -0.611 0.000 0.676 983 V HN 0.515 nan 8.190 nan 0.000 0.469 984 F N -0.330 119.620 119.950 0.000 0.000 2.802 984 F HA 0.194 4.723 4.527 0.003 0.000 0.300 984 F C 0.864 176.663 175.800 -0.000 0.000 1.168 984 F CA 0.218 58.217 58.000 -0.001 0.000 1.433 984 F CB -0.245 38.754 39.000 -0.001 0.000 1.115 984 F HN -0.029 nan 8.300 nan 0.000 0.582 985 V N 1.546 121.519 119.914 0.099 0.000 2.465 985 V HA 0.293 4.415 4.120 0.002 0.000 0.263 985 V C -2.202 173.909 176.094 0.029 0.000 0.981 985 V CA -1.404 60.937 62.300 0.069 0.000 0.838 985 V CB 0.471 32.334 31.823 0.066 0.000 1.068 985 V HN -0.087 nan 8.190 nan 0.000 0.458 986 P HA 0.460 nan 4.420 nan 0.000 0.280 986 P C -0.978 176.336 177.300 0.023 0.000 1.272 986 P CA -0.444 62.661 63.100 0.008 0.000 0.819 986 P CB 0.958 32.656 31.700 -0.004 0.000 1.122 987 D N -0.248 120.170 120.400 0.030 0.000 2.349 987 D HA 0.242 4.884 4.640 0.002 0.000 0.232 987 D C 1.102 177.433 176.300 0.050 0.000 1.071 987 D CA -0.143 53.896 54.000 0.064 0.000 0.832 987 D CB 1.251 42.100 40.800 0.082 0.000 1.086 987 D HN 0.435 nan 8.370 nan 0.000 0.504 988 E N 3.049 123.261 120.200 0.019 0.000 2.204 988 E HA -0.180 4.171 4.350 0.002 0.000 0.195 988 E C 1.492 177.992 176.600 -0.167 0.000 0.990 988 E CA 1.015 57.351 56.400 -0.108 0.000 0.821 988 E CB -0.677 28.898 29.700 -0.209 0.000 0.750 988 E HN 0.749 nan 8.360 nan 0.000 0.477 989 W N 0.337 121.622 121.300 -0.025 0.000 2.905 989 W HA 0.287 4.949 4.660 0.002 0.000 0.251 989 W C 0.891 177.396 176.519 -0.023 0.000 1.305 989 W CA 0.078 57.406 57.345 -0.029 0.000 1.465 989 W CB 0.452 29.886 29.460 -0.042 0.000 1.122 989 W HN 0.147 nan 8.180 nan 0.000 0.659 990 E N 0.953 121.248 120.200 0.158 0.000 2.415 990 E HA 0.148 4.499 4.350 0.002 0.000 0.263 990 E C -0.640 175.997 176.600 0.061 0.000 0.995 990 E CA 0.313 56.769 56.400 0.094 0.000 0.915 990 E CB 0.538 30.270 29.700 0.054 0.000 0.951 990 E HN -0.210 nan 8.360 nan 0.000 0.449 991 V N 3.955 123.905 119.914 0.061 0.000 2.680 991 V HA 0.285 4.407 4.120 0.002 0.000 0.309 991 V C -0.083 176.027 176.094 0.028 0.000 1.052 991 V CA -0.916 61.409 62.300 0.041 0.000 0.908 991 V CB 2.024 33.880 31.823 0.055 0.000 1.001 991 V HN 0.725 nan 8.190 nan 0.000 0.431 992 S N 3.047 118.756 115.700 0.014 0.000 2.510 992 S HA 0.157 4.629 4.470 0.002 0.000 0.279 992 S C 1.267 175.871 174.600 0.008 0.000 1.284 992 S CA -0.169 58.035 58.200 0.007 0.000 1.059 992 S CB 0.281 63.481 63.200 -0.001 0.000 0.901 992 S HN 0.748 nan 8.310 nan 0.000 0.491 993 R N 3.027 123.531 120.500 0.006 0.000 2.127 993 R HA -0.161 4.181 4.340 0.002 0.000 0.238 993 R C 2.054 178.352 176.300 -0.005 0.000 1.134 993 R CA 2.157 58.259 56.100 0.003 0.000 0.975 993 R CB -0.252 30.048 30.300 -0.000 0.000 0.865 993 R HN 0.936 nan 8.270 nan 0.000 0.447 994 E N 0.313 120.510 120.200 -0.006 0.000 2.209 994 E HA -0.226 4.125 4.350 0.002 0.000 0.196 994 E C 1.275 177.870 176.600 -0.009 0.000 0.993 994 E CA 1.326 57.721 56.400 -0.009 0.000 0.819 994 E CB -0.077 29.618 29.700 -0.009 0.000 0.745 994 E HN 0.317 nan 8.360 nan 0.000 0.477 995 K N 0.046 120.444 120.400 -0.005 0.000 2.418 995 K HA 0.096 4.418 4.320 0.002 0.000 0.195 995 K C 0.173 176.771 176.600 -0.003 0.000 1.035 995 K CA 0.082 56.367 56.287 -0.004 0.000 1.003 995 K CB 0.351 32.852 32.500 0.000 0.000 0.793 995 K HN 0.161 nan 8.250 nan 0.000 0.494 996 I N 1.395 121.962 120.570 -0.004 0.000 2.385 996 I HA 0.152 4.324 4.170 0.002 0.000 0.294 996 I C -0.049 176.055 176.117 -0.021 0.000 0.988 996 I CA -0.094 61.203 61.300 -0.007 0.000 1.265 996 I CB 1.508 39.508 38.000 -0.001 0.000 1.388 996 I HN -0.179 nan 8.210 nan 0.000 0.480 997 T N 6.631 121.171 114.554 -0.022 0.000 2.881 997 T HA 0.491 4.843 4.350 0.002 0.000 0.291 997 T C -0.422 174.254 174.700 -0.039 0.000 0.990 997 T CA -0.462 61.618 62.100 -0.034 0.000 0.976 997 T CB 1.563 70.417 68.868 -0.024 0.000 0.970 997 T HN 0.076 nan 8.240 nan 0.000 0.438 998 L N 3.941 125.120 121.223 -0.074 0.000 2.292 998 L HA 0.499 4.840 4.340 0.002 0.000 0.284 998 L C 0.855 177.696 176.870 -0.049 0.000 1.065 998 L CA -0.095 54.691 54.840 -0.090 0.000 0.806 998 L CB 0.896 42.798 42.059 -0.261 0.000 1.175 998 L HN 0.683 nan 8.230 nan 0.000 0.431 999 L N 2.975 124.200 121.223 0.004 0.000 2.433 999 L HA 0.333 4.674 4.340 0.002 0.000 0.200 999 L C 0.531 177.433 176.870 0.052 0.000 1.059 999 L CA 0.122 54.973 54.840 0.019 0.000 0.835 999 L CB 0.094 42.164 42.059 0.019 0.000 1.076 999 L HN 0.696 nan 8.230 nan 0.000 0.481 1000 R N -0.285 120.279 120.500 0.107 0.000 2.728 1000 R HA 0.306 4.648 4.340 0.002 0.000 0.274 1000 R C -1.195 175.221 176.300 0.194 0.000 1.030 1000 R CA -0.787 55.392 56.100 0.132 0.000 0.876 1000 R CB 1.377 31.716 30.300 0.066 0.000 1.259 1000 R HN -0.145 nan 8.270 nan 0.000 0.468 1001 E N 1.313 121.589 120.200 0.126 0.000 2.290 1001 E HA 0.120 4.472 4.350 0.002 0.000 0.277 1001 E C -0.142 176.426 176.600 -0.054 0.000 1.035 1001 E CA -0.295 56.086 56.400 -0.032 0.000 0.873 1001 E CB 0.939 30.593 29.700 -0.076 0.000 1.029 1001 E HN 0.606 nan 8.360 nan 0.000 0.419 1002 L N 3.408 124.569 121.223 -0.103 0.000 2.357 1002 L HA 0.359 4.700 4.340 0.002 0.000 0.211 1002 L C 1.021 177.838 176.870 -0.088 0.000 1.075 1002 L CA 0.642 55.442 54.840 -0.067 0.000 0.830 1002 L CB 0.403 42.431 42.059 -0.053 0.000 0.996 1002 L HN 0.708 nan 8.230 nan 0.000 0.467 1003 G N -0.910 107.798 108.800 -0.153 0.000 2.368 1003 G HA2 0.277 4.239 3.960 0.002 0.000 0.293 1003 G HA3 0.277 4.239 3.960 0.002 0.000 0.293 1003 G C -2.083 172.695 174.900 -0.202 0.000 1.467 1003 G CA -0.496 44.519 45.100 -0.141 0.000 0.804 1003 G HN -0.149 nan 8.290 nan 0.000 0.535 1004 Q N -0.188 119.511 119.800 -0.168 0.000 2.331 1004 Q HA 0.614 4.955 4.340 0.002 0.000 0.267 1004 Q C 0.404 176.288 176.000 -0.193 0.000 1.006 1004 Q CA -0.548 55.141 55.803 -0.190 0.000 0.818 1004 Q CB 1.620 30.272 28.738 -0.143 0.000 1.276 1004 Q HN 0.930 nan 8.270 nan 0.000 0.450 1005 G N 0.578 109.220 108.800 -0.264 0.000 2.537 1005 G HA2 0.196 4.158 3.960 0.002 0.000 0.297 1005 G HA3 0.196 4.158 3.960 0.002 0.000 0.297 1005 G C 0.774 175.492 174.900 -0.303 0.000 1.310 1005 G CA 0.021 44.925 45.100 -0.327 0.000 1.027 1005 G HN 0.765 nan 8.290 nan 0.000 0.505 1006 S N -1.073 114.430 115.700 -0.328 0.000 2.402 1006 S HA -0.081 4.390 4.470 0.002 0.000 0.229 1006 S C 1.176 175.739 174.600 -0.061 0.000 1.021 1006 S CA 1.670 59.782 58.200 -0.146 0.000 0.974 1006 S CB -0.349 62.840 63.200 -0.018 0.000 0.800 1006 S HN 0.985 nan 8.310 nan 0.000 0.484 1007 F N -0.930 118.959 119.950 -0.102 0.000 2.837 1007 F HA 0.829 5.357 4.527 0.003 0.000 0.328 1007 F C 0.339 176.042 175.800 -0.162 0.000 1.173 1007 F CA -0.894 57.037 58.000 -0.114 0.000 1.160 1007 F CB 0.372 39.307 39.000 -0.108 0.000 1.115 1007 F HN 0.319 nan 8.300 nan 0.000 0.512 1008 G N 0.482 109.102 108.800 -0.301 0.000 2.488 1008 G HA2 0.557 4.518 3.960 0.002 0.000 0.301 1008 G HA3 0.557 4.518 3.960 0.002 0.000 0.301 1008 G C -1.941 172.799 174.900 -0.267 0.000 1.339 1008 G CA -1.029 43.919 45.100 -0.254 0.000 0.803 1008 G HN 0.001 nan 8.290 nan 0.000 0.482 1009 M N 0.449 119.906 119.600 -0.238 0.000 2.465 1009 M HA 0.567 5.049 4.480 0.002 0.000 0.316 1009 M C -0.748 175.317 176.300 -0.393 0.000 1.121 1009 M CA -0.858 54.225 55.300 -0.363 0.000 0.934 1009 M CB 1.712 34.032 32.600 -0.466 0.000 1.692 1009 M HN 0.265 nan 8.290 nan 0.000 0.444 1010 V N 3.616 123.265 119.914 -0.442 0.000 2.417 1010 V HA 0.475 4.597 4.120 0.002 0.000 0.291 1010 V C -1.224 174.649 176.094 -0.368 0.000 1.024 1010 V CA -0.591 61.546 62.300 -0.271 0.000 0.861 1010 V CB 1.345 33.073 31.823 -0.158 0.000 0.985 1010 V HN 0.695 nan 8.190 nan 0.000 0.436 1011 Y N 1.699 121.987 120.300 -0.020 0.000 2.468 1011 Y HA 0.484 5.035 4.550 0.002 0.000 0.342 1011 Y C 0.376 176.270 175.900 -0.010 0.000 1.021 1011 Y CA -0.825 57.266 58.100 -0.015 0.000 1.079 1011 Y CB 1.572 40.026 38.460 -0.011 0.000 1.226 1011 Y HN 0.645 nan 8.280 nan 0.000 0.460 1012 E N 1.297 121.587 120.200 0.150 0.000 2.331 1012 E HA 0.595 4.946 4.350 0.002 0.000 0.272 1012 E C -0.381 176.267 176.600 0.080 0.000 1.036 1012 E CA -0.224 56.222 56.400 0.078 0.000 0.864 1012 E CB 0.863 30.587 29.700 0.039 0.000 1.035 1012 E HN 0.903 nan 8.360 nan 0.000 0.408 1013 G N 1.274 110.103 108.800 0.048 0.000 2.749 1013 G HA2 0.566 4.528 3.960 0.002 0.000 0.300 1013 G HA3 0.566 4.528 3.960 0.002 0.000 0.300 1013 G C -1.390 173.516 174.900 0.011 0.000 1.352 1013 G CA -0.229 44.887 45.100 0.027 0.000 0.789 1013 G HN 0.743 nan 8.290 nan 0.000 0.509 1014 N N -1.418 117.284 118.700 0.003 0.000 2.249 1014 N HA 0.907 5.649 4.740 0.002 0.000 0.296 1014 N C -0.532 174.977 175.510 -0.000 0.000 1.051 1014 N CA -0.025 53.024 53.050 -0.003 0.000 0.815 1014 N CB 2.244 40.725 38.487 -0.009 0.000 1.487 1014 N HN 1.663 nan 8.380 nan 0.000 0.475 1015 A N 0.280 123.101 122.820 0.002 0.000 2.343 1015 A HA 0.938 5.259 4.320 0.002 0.000 0.316 1015 A C 0.414 177.998 177.584 -0.001 0.000 1.104 1015 A CA -0.391 51.649 52.037 0.004 0.000 0.768 1015 A CB 0.549 19.558 19.000 0.014 0.000 1.213 1015 A HN 1.571 nan 8.150 nan 0.000 0.456 1016 R N 1.913 122.412 120.500 -0.003 0.000 2.297 1016 R HA 0.564 4.905 4.340 0.002 0.000 0.308 1016 R C -0.206 176.090 176.300 -0.006 0.000 1.029 1016 R CA -0.010 56.087 56.100 -0.006 0.000 0.929 1016 R CB -0.466 29.829 30.300 -0.008 0.000 1.046 1016 R HN 0.892 nan 8.270 nan 0.000 0.461 1017 D N 1.421 121.816 120.400 -0.008 0.000 2.740 1017 D HA -0.183 4.458 4.640 0.002 0.000 0.231 1017 D C 0.822 177.115 176.300 -0.011 0.000 1.194 1017 D CA 1.633 55.626 54.000 -0.010 0.000 0.673 1017 D CB -1.024 39.769 40.800 -0.012 0.000 0.995 1017 D HN 0.828 nan 8.370 nan 0.000 0.411 1018 I N -3.601 116.965 120.570 -0.007 0.000 4.181 1018 I HA 0.262 4.433 4.170 0.002 0.000 0.331 1018 I C 0.567 176.675 176.117 -0.014 0.000 1.312 1018 I CA -0.055 61.241 61.300 -0.006 0.000 1.146 1018 I CB 0.506 38.512 38.000 0.011 0.000 1.074 1018 I HN -0.068 nan 8.210 nan 0.000 0.402 1019 I N 1.957 122.519 120.570 -0.014 0.000 2.499 1019 I HA 0.337 4.509 4.170 0.002 0.000 0.288 1019 I C -0.395 175.710 176.117 -0.019 0.000 1.048 1019 I CA -0.759 60.530 61.300 -0.017 0.000 1.062 1019 I CB 2.130 40.126 38.000 -0.006 0.000 1.238 1019 I HN 0.003 nan 8.210 nan 0.000 0.426 1020 K N 3.691 124.075 120.400 -0.025 0.000 2.451 1020 K HA 0.253 4.575 4.320 0.002 0.000 0.280 1020 K C 1.036 177.627 176.600 -0.016 0.000 1.020 1020 K CA 1.147 57.421 56.287 -0.023 0.000 1.008 1020 K CB 0.437 32.921 32.500 -0.027 0.000 0.917 1020 K HN 0.977 nan 8.250 nan 0.000 0.478 1021 G N 2.537 111.328 108.800 -0.014 0.000 2.268 1021 G HA2 -0.277 3.685 3.960 0.002 0.000 0.240 1021 G HA3 -0.277 3.685 3.960 0.002 0.000 0.240 1021 G C -0.250 174.643 174.900 -0.010 0.000 1.010 1021 G CA -0.186 44.907 45.100 -0.011 0.000 0.618 1021 G HN 0.623 nan 8.290 nan 0.000 0.516 1022 E N 0.628 120.821 120.200 -0.011 0.000 2.092 1022 E HA 0.637 4.988 4.350 0.002 0.000 0.271 1022 E C 1.204 177.797 176.600 -0.012 0.000 0.919 1022 E CA -0.041 56.352 56.400 -0.011 0.000 0.760 1022 E CB 1.422 31.116 29.700 -0.010 0.000 1.106 1022 E HN 0.391 nan 8.360 nan 0.000 0.408 1023 A N 3.461 126.274 122.820 -0.012 0.000 1.902 1023 A HA -0.074 4.248 4.320 0.002 0.000 0.217 1023 A C 1.114 178.691 177.584 -0.011 0.000 1.181 1023 A CA 1.931 53.961 52.037 -0.012 0.000 0.623 1023 A CB -0.190 18.803 19.000 -0.012 0.000 0.818 1023 A HN 0.646 nan 8.150 nan 0.000 0.443 1024 E N -1.688 118.504 120.200 -0.013 0.000 2.314 1024 E HA 0.601 4.953 4.350 0.002 0.000 0.272 1024 E C -0.937 175.654 176.600 -0.014 0.000 0.884 1024 E CA -0.282 56.111 56.400 -0.013 0.000 0.753 1024 E CB 1.390 31.081 29.700 -0.015 0.000 1.213 1024 E HN 0.186 nan 8.360 nan 0.000 0.432 1025 T N 2.132 116.680 114.554 -0.010 0.000 2.881 1025 T HA 0.497 4.849 4.350 0.002 0.000 0.290 1025 T C -0.190 174.505 174.700 -0.009 0.000 1.000 1025 T CA -0.682 61.412 62.100 -0.010 0.000 0.978 1025 T CB 0.881 69.749 68.868 0.000 0.000 0.997 1025 T HN 0.480 nan 8.240 nan 0.000 0.443 1026 R N 1.755 122.245 120.500 -0.018 0.000 2.442 1026 R HA 0.562 4.903 4.340 0.002 0.000 0.291 1026 R C 0.106 176.406 176.300 -0.001 0.000 1.069 1026 R CA -0.451 55.639 56.100 -0.017 0.000 1.022 1026 R CB 0.508 30.785 30.300 -0.038 0.000 0.976 1026 R HN 0.519 nan 8.270 nan 0.000 0.443 1027 V N -1.473 118.448 119.914 0.010 0.000 3.181 1027 V HA 0.907 5.028 4.120 0.002 0.000 0.308 1027 V C -0.936 175.179 176.094 0.035 0.000 1.214 1027 V CA -1.249 61.066 62.300 0.026 0.000 1.053 1027 V CB 2.100 33.945 31.823 0.037 0.000 1.069 1027 V HN 0.798 nan 8.190 nan 0.000 0.441 1028 A N 1.082 123.929 122.820 0.045 0.000 2.331 1028 A HA 0.896 5.218 4.320 0.002 0.000 0.320 1028 A C -0.847 176.786 177.584 0.080 0.000 1.138 1028 A CA -0.688 51.382 52.037 0.054 0.000 0.790 1028 A CB 1.629 20.650 19.000 0.035 0.000 1.206 1028 A HN 1.470 nan 8.150 nan 0.000 0.470 1029 V N 2.608 122.591 119.914 0.115 0.000 2.444 1029 V HA 0.424 4.545 4.120 0.002 0.000 0.294 1029 V C -0.035 176.161 176.094 0.170 0.000 1.022 1029 V CA -0.638 61.748 62.300 0.144 0.000 0.850 1029 V CB 1.510 33.421 31.823 0.146 0.000 0.992 1029 V HN 0.955 nan 8.190 nan 0.000 0.426 1030 K N 3.291 123.784 120.400 0.154 0.000 2.159 1030 K HA 0.735 5.057 4.320 0.002 0.000 0.266 1030 K C 0.028 176.700 176.600 0.120 0.000 0.975 1030 K CA -0.245 56.107 56.287 0.108 0.000 0.865 1030 K CB 1.583 34.160 32.500 0.129 0.000 1.087 1030 K HN 0.891 nan 8.250 nan 0.000 0.446 1031 T N -0.827 113.743 114.554 0.028 0.000 2.940 1031 T HA 0.557 4.908 4.350 0.002 0.000 0.288 1031 T C -0.702 173.911 174.700 -0.144 0.000 1.045 1031 T CA -0.885 61.232 62.100 0.027 0.000 1.018 1031 T CB 1.498 70.440 68.868 0.124 0.000 1.151 1031 T HN 0.207 nan 8.240 nan 0.000 0.529 1032 V N 2.460 122.324 119.914 -0.083 0.000 2.448 1032 V HA 0.403 4.524 4.120 0.002 0.000 0.295 1032 V C -0.163 175.938 176.094 0.011 0.000 1.025 1032 V CA -1.185 61.073 62.300 -0.071 0.000 0.859 1032 V CB 1.506 33.298 31.823 -0.052 0.000 0.988 1032 V HN 0.881 nan 8.190 nan 0.000 0.431 1033 N N 3.492 122.213 118.700 0.034 0.000 2.407 1033 N HA 0.106 4.847 4.740 0.002 0.000 0.250 1033 N C 1.389 176.917 175.510 0.029 0.000 1.236 1033 N CA 0.725 53.794 53.050 0.033 0.000 0.879 1033 N CB 0.989 39.498 38.487 0.038 0.000 1.088 1033 N HN 0.885 nan 8.380 nan 0.000 0.450 1034 E N 0.781 120.995 120.200 0.024 0.000 2.209 1034 E HA -0.183 4.169 4.350 0.002 0.000 0.196 1034 E C 1.570 178.177 176.600 0.013 0.000 0.993 1034 E CA 1.731 58.142 56.400 0.018 0.000 0.819 1034 E CB -0.607 29.103 29.700 0.016 0.000 0.745 1034 E HN 0.671 nan 8.360 nan 0.000 0.477 1035 S N -0.722 114.987 115.700 0.015 0.000 2.593 1035 S HA 0.575 5.046 4.470 0.002 0.000 0.217 1035 S C 1.315 175.919 174.600 0.008 0.000 0.966 1035 S CA 0.246 58.453 58.200 0.011 0.000 0.914 1035 S CB -0.161 63.048 63.200 0.014 0.000 0.776 1035 S HN 0.917 nan 8.310 nan 0.000 0.523 1036 A N 2.685 125.510 122.820 0.009 0.000 2.540 1036 A HA 0.477 4.798 4.320 0.002 0.000 0.239 1036 A C 0.870 178.421 177.584 -0.054 0.000 1.061 1036 A CA 0.032 52.058 52.037 -0.018 0.000 0.758 1036 A CB -0.109 18.867 19.000 -0.041 0.000 0.991 1036 A HN 0.736 nan 8.150 nan 0.000 0.502 1037 S N 2.004 117.657 115.700 -0.077 0.000 2.634 1037 S HA 0.289 4.761 4.470 0.002 0.000 0.261 1037 S C 1.082 175.620 174.600 -0.103 0.000 1.271 1037 S CA -0.014 58.142 58.200 -0.073 0.000 0.985 1037 S CB 0.498 63.662 63.200 -0.061 0.000 0.968 1037 S HN 1.189 nan 8.310 nan 0.000 0.568 1038 L N 0.975 122.153 121.223 -0.075 0.000 2.046 1038 L HA -0.017 4.325 4.340 0.002 0.000 0.208 1038 L C 2.762 179.572 176.870 -0.100 0.000 1.077 1038 L CA 1.989 56.785 54.840 -0.073 0.000 0.747 1038 L CB -1.018 41.012 42.059 -0.048 0.000 0.896 1038 L HN 0.929 nan 8.230 nan 0.000 0.432 1039 R N -0.365 120.075 120.500 -0.099 0.000 2.091 1039 R HA -0.200 4.142 4.340 0.002 0.000 0.238 1039 R C 2.106 178.291 176.300 -0.190 0.000 1.136 1039 R CA 2.020 58.056 56.100 -0.107 0.000 0.959 1039 R CB -0.267 29.988 30.300 -0.076 0.000 0.856 1039 R HN 0.572 nan 8.270 nan 0.000 0.437 1040 E N -0.255 119.767 120.200 -0.297 0.000 2.106 1040 E HA -0.158 4.194 4.350 0.002 0.000 0.192 1040 E C 2.232 178.422 176.600 -0.683 0.000 0.984 1040 E CA 1.036 57.031 56.400 -0.676 0.000 0.806 1040 E CB 0.022 29.237 29.700 -0.808 0.000 0.750 1040 E HN 0.380 nan 8.360 nan 0.000 0.458 1041 R N 0.396 120.688 120.500 -0.347 0.000 2.090 1041 R HA -0.029 4.313 4.340 0.002 0.000 0.228 1041 R C 2.377 178.631 176.300 -0.077 0.000 1.110 1041 R CA 0.847 56.852 56.100 -0.158 0.000 0.973 1041 R CB -0.211 30.040 30.300 -0.080 0.000 0.869 1041 R HN 0.192 nan 8.270 nan 0.000 0.440 1042 I N 0.786 121.296 120.570 -0.100 0.000 2.226 1042 I HA -0.257 3.914 4.170 0.002 0.000 0.245 1042 I C 2.613 178.698 176.117 -0.054 0.000 1.100 1042 I CA 1.298 62.559 61.300 -0.065 0.000 1.374 1042 I CB -0.265 37.698 38.000 -0.062 0.000 1.057 1042 I HN 0.275 nan 8.210 nan 0.000 0.413 1043 E N 0.892 121.045 120.200 -0.078 0.000 2.051 1043 E HA -0.277 4.075 4.350 0.002 0.000 0.192 1043 E C 2.212 178.867 176.600 0.092 0.000 0.991 1043 E CA 1.401 57.791 56.400 -0.016 0.000 0.799 1043 E CB -0.120 29.559 29.700 -0.035 0.000 0.748 1043 E HN 0.345 nan 8.360 nan 0.000 0.449 1044 F N 1.205 121.106 119.950 -0.082 0.000 2.171 1044 F HA -0.159 4.370 4.527 0.003 0.000 0.300 1044 F C 1.997 177.791 175.800 -0.010 0.000 1.090 1044 F CA 0.992 59.022 58.000 0.049 0.000 1.293 1044 F CB -0.444 38.617 39.000 0.102 0.000 1.013 1044 F HN 0.145 nan 8.300 nan 0.000 0.486 1045 L N 0.905 122.091 121.223 -0.061 0.000 1.989 1045 L HA -0.238 4.103 4.340 0.002 0.000 0.211 1045 L C 2.126 178.881 176.870 -0.191 0.000 1.071 1045 L CA 2.502 57.246 54.840 -0.160 0.000 0.749 1045 L CB -1.559 40.451 42.059 -0.082 0.000 0.890 1045 L HN 0.273 nan 8.230 nan 0.000 0.431 1046 N N -0.544 118.084 118.700 -0.121 0.000 2.120 1046 N HA -0.278 4.464 4.740 0.002 0.000 0.188 1046 N C 1.942 177.355 175.510 -0.162 0.000 1.024 1046 N CA 1.728 54.707 53.050 -0.118 0.000 0.852 1046 N CB -0.266 38.185 38.487 -0.060 0.000 1.003 1046 N HN 0.589 nan 8.380 nan 0.000 0.424 1047 E N -0.518 119.608 120.200 -0.122 0.000 2.038 1047 E HA -0.213 4.138 4.350 0.002 0.000 0.195 1047 E C 1.810 178.266 176.600 -0.240 0.000 1.000 1047 E CA 1.389 57.734 56.400 -0.092 0.000 0.803 1047 E CB -0.313 29.408 29.700 0.036 0.000 0.750 1047 E HN 0.526 nan 8.360 nan 0.000 0.448 1048 A N 0.241 122.811 122.820 -0.418 0.000 1.930 1048 A HA -0.153 4.168 4.320 0.002 0.000 0.217 1048 A C 2.294 179.584 177.584 -0.490 0.000 1.175 1048 A CA 1.732 53.473 52.037 -0.494 0.000 0.627 1048 A CB -0.719 17.904 19.000 -0.628 0.000 0.815 1048 A HN 0.336 nan 8.150 nan 0.000 0.443 1049 S N -0.197 115.254 115.700 -0.416 0.000 2.356 1049 S HA -0.156 4.315 4.470 0.002 0.000 0.223 1049 S C 2.077 176.376 174.600 -0.501 0.000 1.032 1049 S CA 2.117 60.078 58.200 -0.399 0.000 1.005 1049 S CB -0.799 62.241 63.200 -0.267 0.000 0.867 1049 S HN 0.943 nan 8.310 nan 0.000 0.449 1050 V N -0.056 119.526 119.914 -0.554 0.000 2.427 1050 V HA -0.083 4.038 4.120 0.002 0.000 0.248 1050 V C 2.331 177.607 176.094 -1.363 0.000 1.051 1050 V CA 1.992 63.733 62.300 -0.931 0.000 1.048 1050 V CB -0.994 30.302 31.823 -0.879 0.000 0.666 1050 V HN 0.472 nan 8.190 nan 0.000 0.456 1051 M N -0.057 118.992 119.600 -0.919 0.000 2.159 1051 M HA -0.153 4.329 4.480 0.002 0.000 0.263 1051 M C 2.386 178.281 176.300 -0.676 0.000 1.063 1051 M CA 2.036 56.880 55.300 -0.761 0.000 1.110 1051 M CB -0.402 31.976 32.600 -0.371 0.000 1.374 1051 M HN 0.321 nan 8.290 nan 0.000 0.411 1052 K N -0.325 119.634 120.400 -0.734 0.000 2.152 1052 K HA -0.128 4.193 4.320 0.002 0.000 0.206 1052 K C 1.795 178.233 176.600 -0.270 0.000 1.048 1052 K CA 1.283 57.138 56.287 -0.721 0.000 0.933 1052 K CB -0.377 31.605 32.500 -0.864 0.000 0.721 1052 K HN 0.457 nan 8.250 nan 0.000 0.447 1053 G N 0.102 108.636 108.800 -0.443 0.000 2.985 1053 G HA2 -0.005 3.957 3.960 0.002 0.000 0.209 1053 G HA3 -0.005 3.957 3.960 0.002 0.000 0.209 1053 G C -0.015 174.894 174.900 0.016 0.000 1.165 1053 G CA -0.170 44.799 45.100 -0.219 0.000 0.776 1053 G HN -0.025 nan 8.290 nan 0.000 0.541 1054 F N 0.593 120.515 119.950 -0.046 0.000 2.422 1054 F HA 0.582 5.110 4.527 0.002 0.000 0.333 1054 F C 0.210 176.023 175.800 0.023 0.000 1.095 1054 F CA -1.491 56.544 58.000 0.058 0.000 1.038 1054 F CB 1.930 40.874 39.000 -0.093 0.000 1.156 1054 F HN -0.320 nan 8.300 nan 0.000 0.483 1055 T N 2.075 116.736 114.554 0.179 0.000 3.103 1055 T HA 0.379 4.731 4.350 0.002 0.000 0.352 1055 T C -1.379 173.084 174.700 -0.396 0.000 1.048 1055 T CA -0.404 61.680 62.100 -0.027 0.000 1.175 1055 T CB 0.599 69.518 68.868 0.085 0.000 1.029 1055 T HN 0.753 nan 8.240 nan 0.000 0.498 1056 C N 2.551 121.576 119.300 -0.459 0.000 2.782 1056 C HA 0.488 4.950 4.460 0.002 0.000 0.328 1056 C C 1.489 176.321 174.990 -0.263 0.000 1.145 1056 C CA -0.494 58.197 59.018 -0.544 0.000 1.358 1056 C CB 0.806 27.927 27.740 -1.031 0.000 1.841 1056 C HN 1.094 nan 8.230 nan 0.000 0.477 1057 H N 1.348 120.217 119.070 -0.335 0.000 2.456 1057 H HA -0.013 4.545 4.556 0.003 0.000 0.296 1057 H C 1.048 176.128 175.328 -0.413 0.000 1.079 1057 H CA 2.257 58.073 56.048 -0.386 0.000 1.322 1057 H CB 0.029 29.474 29.762 -0.528 0.000 1.388 1057 H HN 0.851 nan 8.280 nan 0.000 0.538 1058 H N -1.272 117.771 119.070 -0.045 0.000 2.507 1058 H HA 0.365 4.922 4.556 0.002 0.000 0.294 1058 H C -0.764 174.544 175.328 -0.034 0.000 1.064 1058 H CA -0.259 55.769 56.048 -0.033 0.000 1.138 1058 H CB 0.658 30.457 29.762 0.061 0.000 1.515 1058 H HN 0.003 nan 8.280 nan 0.000 0.547 1059 V N 1.328 121.243 119.914 0.001 0.000 2.686 1059 V HA 0.110 4.232 4.120 0.002 0.000 0.306 1059 V C -0.027 176.119 176.094 0.087 0.000 1.065 1059 V CA -1.136 61.218 62.300 0.089 0.000 0.894 1059 V CB 2.500 34.325 31.823 0.003 0.000 1.004 1059 V HN -0.010 nan 8.190 nan 0.000 0.424 1060 V N 4.919 124.939 119.914 0.178 0.000 2.557 1060 V HA 0.086 4.207 4.120 0.002 0.000 0.301 1060 V C 0.791 176.970 176.094 0.140 0.000 1.026 1060 V CA 0.252 62.631 62.300 0.131 0.000 1.137 1060 V CB 0.239 32.146 31.823 0.140 0.000 0.917 1060 V HN 0.841 nan 8.190 nan 0.000 0.484 1061 R N 4.112 124.655 120.500 0.071 0.000 2.390 1061 R HA 0.445 4.787 4.340 0.002 0.000 0.291 1061 R C -0.636 175.712 176.300 0.080 0.000 1.070 1061 R CA -0.778 55.365 56.100 0.073 0.000 1.014 1061 R CB 0.872 31.205 30.300 0.054 0.000 1.007 1061 R HN 0.618 nan 8.270 nan 0.000 0.466 1062 L N 5.403 126.666 121.223 0.067 0.000 2.292 1062 L HA 0.237 4.579 4.340 0.002 0.000 0.284 1062 L C -0.095 176.912 176.870 0.229 0.000 1.065 1062 L CA 0.234 55.096 54.840 0.037 0.000 0.806 1062 L CB 1.308 43.240 42.059 -0.212 0.000 1.175 1062 L HN 0.820 nan 8.230 nan 0.000 0.431 1063 L N 4.302 125.656 121.223 0.218 0.000 2.575 1063 L HA 0.569 4.911 4.340 0.002 0.000 0.228 1063 L C 0.835 177.898 176.870 0.323 0.000 1.075 1063 L CA 0.351 55.346 54.840 0.258 0.000 0.867 1063 L CB 0.166 42.304 42.059 0.132 0.000 1.097 1063 L HN 0.834 nan 8.230 nan 0.000 0.485 1064 G N -0.614 108.369 108.800 0.304 0.000 2.328 1064 G HA2 0.443 4.405 3.960 0.002 0.000 0.295 1064 G HA3 0.443 4.405 3.960 0.002 0.000 0.295 1064 G C -2.045 172.960 174.900 0.174 0.000 1.413 1064 G CA -0.477 44.807 45.100 0.306 0.000 0.817 1064 G HN -0.315 nan 8.290 nan 0.000 0.546 1065 V N -0.115 119.894 119.914 0.158 0.000 2.623 1065 V HA 0.568 4.689 4.120 0.002 0.000 0.304 1065 V C -0.305 175.838 176.094 0.082 0.000 1.054 1065 V CA -0.761 61.591 62.300 0.087 0.000 0.882 1065 V CB 1.807 33.652 31.823 0.037 0.000 1.002 1065 V HN 0.766 nan 8.190 nan 0.000 0.424 1066 V N 4.129 124.086 119.914 0.070 0.000 2.318 1066 V HA 0.347 4.468 4.120 0.002 0.000 0.271 1066 V C 0.886 177.012 176.094 0.053 0.000 1.030 1066 V CA 0.400 62.733 62.300 0.055 0.000 0.844 1066 V CB 1.205 33.056 31.823 0.047 0.000 1.015 1066 V HN 1.081 nan 8.190 nan 0.000 0.460 1067 S N 2.137 117.863 115.700 0.043 0.000 2.666 1067 S HA 0.181 4.652 4.470 0.002 0.000 0.239 1067 S C 1.039 175.655 174.600 0.025 0.000 1.031 1067 S CA 0.184 58.407 58.200 0.037 0.000 1.015 1067 S CB 0.101 63.321 63.200 0.033 0.000 0.981 1067 S HN 0.730 nan 8.310 nan 0.000 0.547 1068 K N 1.766 122.178 120.400 0.020 0.000 2.121 1068 K HA 0.626 4.948 4.320 0.002 0.000 0.235 1068 K C 0.861 177.466 176.600 0.010 0.000 1.200 1068 K CA 0.137 56.431 56.287 0.010 0.000 1.115 1068 K CB -1.331 31.172 32.500 0.005 0.000 1.474 1068 K HN 1.353 nan 8.250 nan 0.000 0.295 1069 G N -1.403 107.404 108.800 0.012 0.000 2.422 1069 G HA2 0.481 4.442 3.960 0.002 0.000 0.607 1069 G HA3 0.481 4.442 3.960 0.002 0.000 0.607 1069 G C -0.477 174.434 174.900 0.017 0.000 1.270 1069 G CA 0.214 45.321 45.100 0.010 0.000 0.992 1069 G HN 1.613 nan 8.290 nan 0.000 0.499 1070 Q N -0.081 119.728 119.800 0.015 0.000 2.377 1070 Q HA 0.872 5.214 4.340 0.002 0.000 0.271 1070 Q C -1.887 174.122 176.000 0.015 0.000 1.077 1070 Q CA -0.909 54.906 55.803 0.020 0.000 0.820 1070 Q CB 1.643 30.392 28.738 0.017 0.000 1.347 1070 Q HN 1.179 nan 8.270 nan 0.000 0.444 1071 P HA 0.444 nan 4.420 nan 0.000 0.281 1071 P C -0.579 176.754 177.300 0.055 0.000 1.264 1071 P CA -0.237 62.886 63.100 0.038 0.000 0.824 1071 P CB 1.028 32.753 31.700 0.041 0.000 1.092 1072 T N 1.554 116.155 114.554 0.078 0.000 2.916 1072 T HA 0.263 4.614 4.350 0.002 0.000 0.303 1072 T C 0.267 175.048 174.700 0.136 0.000 1.025 1072 T CA 0.107 62.271 62.100 0.106 0.000 1.142 1072 T CB -0.178 68.777 68.868 0.144 0.000 0.947 1072 T HN 0.192 nan 8.240 nan 0.000 0.544 1073 L N 3.275 124.573 121.223 0.124 0.000 2.333 1073 L HA 0.565 4.906 4.340 0.002 0.000 0.280 1073 L C -0.479 176.482 176.870 0.152 0.000 1.004 1073 L CA -1.153 53.769 54.840 0.137 0.000 0.820 1073 L CB 1.831 43.943 42.059 0.089 0.000 1.247 1073 L HN 0.315 nan 8.230 nan 0.000 0.416 1074 V N 4.241 124.279 119.914 0.207 0.000 2.328 1074 V HA 0.280 4.401 4.120 0.002 0.000 0.278 1074 V C 0.110 176.282 176.094 0.129 0.000 1.021 1074 V CA -0.548 61.847 62.300 0.157 0.000 0.838 1074 V CB 1.930 33.880 31.823 0.212 0.000 0.999 1074 V HN 0.436 nan 8.190 nan 0.000 0.447 1075 V N 7.412 127.383 119.914 0.096 0.000 2.406 1075 V HA 0.503 4.625 4.120 0.002 0.000 0.272 1075 V C 0.156 176.301 176.094 0.084 0.000 1.043 1075 V CA -0.126 62.229 62.300 0.091 0.000 0.915 1075 V CB 1.093 32.968 31.823 0.087 0.000 0.988 1075 V HN 0.826 nan 8.190 nan 0.000 0.466 1076 M N 3.078 122.724 119.600 0.077 0.000 2.755 1076 M HA 0.492 4.974 4.480 0.002 0.000 0.298 1076 M C 0.020 176.354 176.300 0.057 0.000 1.251 1076 M CA -0.725 54.616 55.300 0.069 0.000 0.817 1076 M CB 2.062 34.702 32.600 0.067 0.000 1.760 1076 M HN 0.776 nan 8.290 nan 0.000 0.473 1077 E N 1.230 121.461 120.200 0.050 0.000 2.392 1077 E HA 0.273 4.624 4.350 0.002 0.000 0.264 1077 E C -1.195 175.418 176.600 0.022 0.000 1.024 1077 E CA -0.617 55.802 56.400 0.033 0.000 0.903 1077 E CB 0.912 30.624 29.700 0.020 0.000 0.963 1077 E HN 0.498 nan 8.360 nan 0.000 0.432 1078 L N 3.698 124.929 121.223 0.014 0.000 2.367 1078 L HA 0.188 4.529 4.340 0.002 0.000 0.275 1078 L C -0.605 176.259 176.870 -0.010 0.000 1.129 1078 L CA 0.004 54.845 54.840 0.002 0.000 0.839 1078 L CB 0.946 43.000 42.059 -0.008 0.000 1.133 1078 L HN 0.660 nan 8.230 nan 0.000 0.453 1079 M N 5.875 125.460 119.600 -0.024 0.000 2.268 1079 M HA 0.288 4.769 4.480 0.002 0.000 0.340 1079 M C 1.129 177.385 176.300 -0.073 0.000 1.099 1079 M CA -0.289 54.984 55.300 -0.045 0.000 1.053 1079 M CB 0.229 32.809 32.600 -0.033 0.000 1.284 1079 M HN 0.842 nan 8.290 nan 0.000 0.410 1080 A N 1.637 124.382 122.820 -0.125 0.000 1.971 1080 A HA -0.191 4.130 4.320 0.002 0.000 0.222 1080 A C 1.502 178.900 177.584 -0.310 0.000 1.182 1080 A CA 1.779 53.675 52.037 -0.235 0.000 0.649 1080 A CB -0.650 18.153 19.000 -0.328 0.000 0.818 1080 A HN 0.764 nan 8.150 nan 0.000 0.458 1081 H N -0.578 118.443 119.070 -0.080 0.000 2.524 1081 H HA 0.326 4.883 4.556 0.002 0.000 0.280 1081 H C 1.603 176.930 175.328 -0.002 0.000 1.018 1081 H CA 0.463 56.484 56.048 -0.045 0.000 1.165 1081 H CB -0.725 28.928 29.762 -0.182 0.000 1.411 1081 H HN 0.689 nan 8.280 nan 0.000 0.569 1082 G N 1.962 110.792 108.800 0.050 0.000 2.601 1082 G HA2 -0.277 3.685 3.960 0.002 0.000 0.261 1082 G HA3 -0.277 3.685 3.960 0.002 0.000 0.261 1082 G C -0.071 174.858 174.900 0.050 0.000 1.289 1082 G CA 0.019 45.147 45.100 0.046 0.000 0.920 1082 G HN 0.526 nan 8.290 nan 0.000 0.571 1083 D N 0.215 120.647 120.400 0.053 0.000 2.341 1083 D HA 0.269 4.911 4.640 0.002 0.000 0.245 1083 D C 1.672 178.038 176.300 0.110 0.000 1.106 1083 D CA -0.246 53.784 54.000 0.050 0.000 0.905 1083 D CB 1.595 42.408 40.800 0.023 0.000 1.202 1083 D HN 0.500 nan 8.370 nan 0.000 0.426 1084 L N 2.063 123.348 121.223 0.102 0.000 2.079 1084 L HA -0.190 4.151 4.340 0.002 0.000 0.210 1084 L C 2.458 179.435 176.870 0.179 0.000 1.081 1084 L CA 1.874 56.813 54.840 0.165 0.000 0.752 1084 L CB -0.853 41.281 42.059 0.125 0.000 0.896 1084 L HN 0.632 nan 8.230 nan 0.000 0.433 1085 K N -1.194 119.283 120.400 0.128 0.000 2.002 1085 K HA -0.164 4.157 4.320 0.002 0.000 0.209 1085 K C 2.106 178.771 176.600 0.108 0.000 1.048 1085 K CA 1.781 58.140 56.287 0.120 0.000 0.930 1085 K CB -0.188 32.377 32.500 0.109 0.000 0.714 1085 K HN 0.348 nan 8.250 nan 0.000 0.438 1086 S N 0.033 115.798 115.700 0.109 0.000 2.359 1086 S HA -0.191 4.281 4.470 0.002 0.000 0.224 1086 S C 1.657 176.331 174.600 0.123 0.000 1.035 1086 S CA 1.443 59.703 58.200 0.100 0.000 1.018 1086 S CB -0.573 62.687 63.200 0.100 0.000 0.876 1086 S HN 0.431 nan 8.310 nan 0.000 0.448 1087 Y N 2.275 122.606 120.300 0.053 0.000 2.128 1087 Y HA -0.158 4.393 4.550 0.002 0.000 0.284 1087 Y C 1.930 177.843 175.900 0.022 0.000 1.154 1087 Y CA 1.332 59.464 58.100 0.053 0.000 1.149 1087 Y CB -0.634 37.869 38.460 0.072 0.000 0.976 1087 Y HN 0.151 nan 8.280 nan 0.000 0.505 1088 L N -0.269 120.919 121.223 -0.060 0.000 2.012 1088 L HA -0.264 4.078 4.340 0.002 0.000 0.210 1088 L C 2.654 179.434 176.870 -0.150 0.000 1.073 1088 L CA 1.734 56.485 54.840 -0.147 0.000 0.748 1088 L CB -0.533 41.517 42.059 -0.015 0.000 0.891 1088 L HN 0.142 nan 8.230 nan 0.000 0.431 1089 R N -0.245 120.214 120.500 -0.068 0.000 2.120 1089 R HA -0.141 4.200 4.340 0.002 0.000 0.234 1089 R C 2.525 178.776 176.300 -0.081 0.000 1.123 1089 R CA 1.580 57.649 56.100 -0.053 0.000 0.975 1089 R CB -0.427 29.871 30.300 -0.003 0.000 0.866 1089 R HN 0.477 nan 8.270 nan 0.000 0.446 1090 S N 0.592 116.228 115.700 -0.106 0.000 2.474 1090 S HA -0.028 4.444 4.470 0.002 0.000 0.235 1090 S C 1.756 176.258 174.600 -0.163 0.000 0.997 1090 S CA 0.709 58.846 58.200 -0.105 0.000 0.949 1090 S CB -0.123 63.036 63.200 -0.068 0.000 0.766 1090 S HN 0.259 nan 8.310 nan 0.000 0.517 1091 L N 0.506 121.581 121.223 -0.246 0.000 2.591 1091 L HA 0.253 4.594 4.340 0.002 0.000 0.228 1091 L C 0.907 177.682 176.870 -0.158 0.000 1.133 1091 L CA -0.158 54.535 54.840 -0.245 0.000 0.880 1091 L CB -0.162 41.683 42.059 -0.357 0.000 1.033 1091 L HN 0.123 nan 8.230 nan 0.000 0.450 1092 R N 1.572 121.998 120.500 -0.122 0.000 2.489 1092 R HA 0.043 4.384 4.340 0.002 0.000 0.287 1092 R C -1.119 175.136 176.300 -0.076 0.000 1.053 1092 R CA -1.267 54.778 56.100 -0.091 0.000 1.036 1092 R CB 0.357 30.614 30.300 -0.070 0.000 0.966 1092 R HN -0.093 nan 8.270 nan 0.000 0.432 1093 P HA -0.237 nan 4.420 nan 0.000 0.217 1093 P C 0.744 178.019 177.300 -0.042 0.000 1.151 1093 P CA 1.839 64.906 63.100 -0.055 0.000 0.849 1093 P CB 0.212 31.882 31.700 -0.051 0.000 0.787 1094 E N -0.459 119.718 120.200 -0.038 0.000 2.437 1094 E HA 0.417 4.769 4.350 0.002 0.000 0.189 1094 E C 1.074 177.659 176.600 -0.025 0.000 1.054 1094 E CA 0.149 56.532 56.400 -0.028 0.000 0.874 1094 E CB -0.735 28.951 29.700 -0.024 0.000 1.011 1094 E HN 0.475 nan 8.360 nan 0.000 0.474 1095 A N 0.252 123.053 122.820 -0.032 0.000 2.488 1095 A HA 0.506 4.828 4.320 0.002 0.000 0.249 1095 A C 1.601 179.175 177.584 -0.016 0.000 1.083 1095 A CA 0.550 52.572 52.037 -0.026 0.000 0.768 1095 A CB -0.044 18.932 19.000 -0.040 0.000 1.017 1095 A HN 0.648 nan 8.150 nan 0.000 0.496 1096 E N 2.314 122.509 120.200 -0.007 0.000 2.153 1096 E HA -0.208 4.143 4.350 0.002 0.000 0.194 1096 E C 0.927 177.530 176.600 0.004 0.000 0.988 1096 E CA 1.490 57.890 56.400 -0.001 0.000 0.811 1096 E CB -0.673 29.029 29.700 0.003 0.000 0.746 1096 E HN 0.907 nan 8.360 nan 0.000 0.466 1097 N N 0.445 119.148 118.700 0.005 0.000 2.320 1097 N HA -0.009 4.732 4.740 0.002 0.000 0.237 1097 N C -0.222 175.294 175.510 0.010 0.000 1.129 1097 N CA -0.390 52.670 53.050 0.016 0.000 0.854 1097 N CB -0.480 38.023 38.487 0.027 0.000 1.083 1097 N HN 0.262 nan 8.380 nan 0.000 0.504 1098 N N 2.584 121.280 118.700 -0.007 0.000 2.447 1098 N HA 0.010 4.751 4.740 0.002 0.000 0.263 1098 N C -1.260 174.249 175.510 -0.001 0.000 1.226 1098 N CA -0.613 52.422 53.050 -0.024 0.000 0.906 1098 N CB 1.172 39.639 38.487 -0.033 0.000 1.060 1098 N HN 0.166 nan 8.380 nan 0.000 0.468 1099 P HA 0.082 nan 4.420 nan 0.000 0.242 1099 P C 0.359 177.679 177.300 0.033 0.000 1.197 1099 P CA 0.532 63.660 63.100 0.047 0.000 0.765 1099 P CB 0.101 31.852 31.700 0.085 0.000 0.936 1100 G N 1.061 109.861 108.800 0.001 0.000 2.165 1100 G HA2 -0.199 3.762 3.960 0.002 0.000 0.226 1100 G HA3 -0.199 3.762 3.960 0.002 0.000 0.226 1100 G C -0.066 174.824 174.900 -0.017 0.000 1.035 1100 G CA -0.062 45.037 45.100 -0.002 0.000 0.744 1100 G HN 0.700 nan 8.290 nan 0.000 0.501 1101 R N -1.417 119.056 120.500 -0.046 0.000 2.774 1101 R HA 0.815 5.156 4.340 0.002 0.000 0.272 1101 R C -3.078 173.165 176.300 -0.096 0.000 1.000 1101 R CA -1.954 54.103 56.100 -0.071 0.000 0.906 1101 R CB 0.745 30.987 30.300 -0.097 0.000 1.227 1101 R HN 0.052 nan 8.270 nan 0.000 0.468 1102 P HA 0.282 nan 4.420 nan 0.000 0.272 1102 P C -2.505 174.717 177.300 -0.130 0.000 1.240 1102 P CA -1.266 61.775 63.100 -0.099 0.000 0.791 1102 P CB 0.007 31.657 31.700 -0.082 0.000 0.978 1103 P HA 0.187 nan 4.420 nan 0.000 0.273 1103 P C -2.374 174.850 177.300 -0.127 0.000 1.250 1103 P CA -1.085 61.929 63.100 -0.143 0.000 0.793 1103 P CB -1.091 30.536 31.700 -0.122 0.000 1.011 1104 P HA -0.003 nan 4.420 nan 0.000 0.262 1104 P C 0.081 177.333 177.300 -0.080 0.000 1.182 1104 P CA 0.416 63.463 63.100 -0.090 0.000 0.761 1104 P CB -0.189 31.474 31.700 -0.062 0.000 0.795 1105 T N 0.621 115.133 114.554 -0.071 0.000 2.754 1105 T HA 0.124 4.476 4.350 0.002 0.000 0.286 1105 T C 1.259 175.926 174.700 -0.055 0.000 0.997 1105 T CA -0.734 61.329 62.100 -0.061 0.000 0.982 1105 T CB 0.368 69.204 68.868 -0.052 0.000 1.027 1105 T HN 0.228 nan 8.240 nan 0.000 0.529 1106 L N 0.272 121.464 121.223 -0.052 0.000 2.012 1106 L HA -0.174 4.167 4.340 0.002 0.000 0.210 1106 L C 3.018 179.860 176.870 -0.045 0.000 1.073 1106 L CA 2.183 56.992 54.840 -0.052 0.000 0.748 1106 L CB -0.654 41.376 42.059 -0.049 0.000 0.891 1106 L HN 0.986 nan 8.230 nan 0.000 0.431 1107 Q N -0.077 119.700 119.800 -0.038 0.000 2.061 1107 Q HA -0.282 4.059 4.340 0.002 0.000 0.204 1107 Q C 1.903 177.888 176.000 -0.025 0.000 0.984 1107 Q CA 2.219 58.004 55.803 -0.030 0.000 0.846 1107 Q CB -0.062 28.665 28.738 -0.020 0.000 0.902 1107 Q HN 0.579 nan 8.270 nan 0.000 0.421 1108 E N -0.175 120.010 120.200 -0.026 0.000 2.106 1108 E HA -0.172 4.179 4.350 0.002 0.000 0.192 1108 E C 2.070 178.661 176.600 -0.014 0.000 0.984 1108 E CA 1.283 57.672 56.400 -0.018 0.000 0.806 1108 E CB -0.049 29.630 29.700 -0.035 0.000 0.750 1108 E HN 0.479 nan 8.360 nan 0.000 0.458 1109 M N 0.216 119.798 119.600 -0.029 0.000 2.175 1109 M HA -0.133 4.349 4.480 0.002 0.000 0.264 1109 M C 2.114 178.395 176.300 -0.031 0.000 1.063 1109 M CA 0.911 56.191 55.300 -0.033 0.000 1.119 1109 M CB -0.047 32.520 32.600 -0.055 0.000 1.377 1109 M HN 0.124 nan 8.290 nan 0.000 0.415 1110 I N 0.254 120.800 120.570 -0.040 0.000 2.252 1110 I HA -0.255 3.916 4.170 0.002 0.000 0.245 1110 I C 2.452 178.536 176.117 -0.055 0.000 1.102 1110 I CA 1.593 62.864 61.300 -0.048 0.000 1.385 1110 I CB -1.255 36.707 38.000 -0.063 0.000 1.064 1110 I HN 0.346 nan 8.210 nan 0.000 0.414 1111 Q N 0.886 120.659 119.800 -0.044 0.000 2.084 1111 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 1111 Q C 2.289 178.288 176.000 -0.001 0.000 0.978 1111 Q CA 1.802 57.582 55.803 -0.039 0.000 0.844 1111 Q CB -0.191 28.554 28.738 0.011 0.000 0.898 1111 Q HN 0.408 nan 8.270 nan 0.000 0.426 1112 M N -0.769 118.845 119.600 0.023 0.000 2.086 1112 M HA -0.164 4.318 4.480 0.002 0.000 0.261 1112 M C 2.187 178.533 176.300 0.076 0.000 1.067 1112 M CA 1.581 56.911 55.300 0.051 0.000 1.116 1112 M CB -0.445 32.184 32.600 0.048 0.000 1.348 1112 M HN 0.365 nan 8.290 nan 0.000 0.407 1113 A N 0.372 123.236 122.820 0.072 0.000 1.908 1113 A HA -0.095 4.226 4.320 0.002 0.000 0.218 1113 A C 2.349 180.075 177.584 0.236 0.000 1.181 1113 A CA 2.038 54.191 52.037 0.192 0.000 0.627 1113 A CB -0.968 18.113 19.000 0.135 0.000 0.818 1113 A HN 0.517 nan 8.150 nan 0.000 0.445 1114 A N -0.296 122.553 122.820 0.048 0.000 1.930 1114 A HA -0.149 4.173 4.320 0.002 0.000 0.217 1114 A C 1.914 179.521 177.584 0.038 0.000 1.175 1114 A CA 1.625 53.631 52.037 -0.052 0.000 0.627 1114 A CB -0.495 18.284 19.000 -0.368 0.000 0.815 1114 A HN 0.646 nan 8.150 nan 0.000 0.443 1115 E N -0.291 119.910 120.200 0.001 0.000 2.072 1115 E HA -0.128 4.224 4.350 0.002 0.000 0.191 1115 E C 1.865 178.410 176.600 -0.092 0.000 0.985 1115 E CA 1.216 57.480 56.400 -0.227 0.000 0.801 1115 E CB -0.276 29.346 29.700 -0.131 0.000 0.750 1115 E HN 0.693 nan 8.360 nan 0.000 0.452 1116 I N 1.129 121.745 120.570 0.076 0.000 2.252 1116 I HA -0.247 3.925 4.170 0.002 0.000 0.245 1116 I C 2.521 178.669 176.117 0.052 0.000 1.102 1116 I CA 0.941 62.322 61.300 0.134 0.000 1.385 1116 I CB -0.258 37.924 38.000 0.304 0.000 1.064 1116 I HN 0.080 nan 8.210 nan 0.000 0.414 1117 A N 0.151 123.018 122.820 0.079 0.000 1.969 1117 A HA -0.278 4.043 4.320 0.002 0.000 0.218 1117 A C 1.958 179.555 177.584 0.021 0.000 1.169 1117 A CA 2.230 54.228 52.037 -0.064 0.000 0.635 1117 A CB -0.642 18.316 19.000 -0.071 0.000 0.810 1117 A HN 0.455 nan 8.150 nan 0.000 0.445 1118 D N -0.825 119.647 120.400 0.119 0.000 2.123 1118 D HA -0.006 4.636 4.640 0.002 0.000 0.200 1118 D C 2.003 178.430 176.300 0.213 0.000 0.976 1118 D CA 1.529 55.689 54.000 0.267 0.000 0.831 1118 D CB -0.368 40.639 40.800 0.344 0.000 0.974 1118 D HN 0.280 nan 8.370 nan 0.000 0.469 1119 G N 0.095 108.969 108.800 0.122 0.000 2.418 1119 G HA2 -0.216 3.745 3.960 0.002 0.000 0.217 1119 G HA3 -0.216 3.745 3.960 0.002 0.000 0.217 1119 G C 1.518 176.378 174.900 -0.068 0.000 1.158 1119 G CA 0.660 45.808 45.100 0.079 0.000 0.771 1119 G HN 0.172 nan 8.290 nan 0.000 0.545 1120 M N 1.142 120.579 119.600 -0.272 0.000 2.175 1120 M HA 0.106 4.588 4.480 0.002 0.000 0.264 1120 M C 2.980 179.023 176.300 -0.429 0.000 1.063 1120 M CA 1.067 55.999 55.300 -0.612 0.000 1.119 1120 M CB -1.167 30.449 32.600 -1.639 0.000 1.377 1120 M HN 0.320 nan 8.290 nan 0.000 0.415 1121 A N -0.697 122.028 122.820 -0.159 0.000 1.902 1121 A HA -0.230 4.091 4.320 0.002 0.000 0.217 1121 A C 2.156 179.659 177.584 -0.134 0.000 1.181 1121 A CA 1.530 53.637 52.037 0.116 0.000 0.623 1121 A CB -1.179 18.065 19.000 0.407 0.000 0.818 1121 A HN 0.506 nan 8.150 nan 0.000 0.443 1122 Y N 0.019 120.016 120.300 -0.505 0.000 2.128 1122 Y HA -0.187 4.365 4.550 0.002 0.000 0.284 1122 Y C 2.064 177.600 175.900 -0.607 0.000 1.154 1122 Y CA 1.965 59.445 58.100 -1.033 0.000 1.149 1122 Y CB -0.411 37.590 38.460 -0.765 0.000 0.976 1122 Y HN 0.252 nan 8.280 nan 0.000 0.505 1123 L N 0.823 121.786 121.223 -0.433 0.000 2.012 1123 L HA -0.290 4.052 4.340 0.002 0.000 0.210 1123 L C 2.517 179.275 176.870 -0.187 0.000 1.073 1123 L CA 2.254 56.843 54.840 -0.419 0.000 0.748 1123 L CB -0.836 41.089 42.059 -0.224 0.000 0.891 1123 L HN 0.458 nan 8.230 nan 0.000 0.431 1124 N N -0.337 118.297 118.700 -0.111 0.000 2.166 1124 N HA -0.216 4.525 4.740 0.002 0.000 0.186 1124 N C 1.773 177.252 175.510 -0.052 0.000 1.019 1124 N CA 1.306 54.362 53.050 0.010 0.000 0.856 1124 N CB 0.006 38.569 38.487 0.128 0.000 0.993 1124 N HN 0.483 nan 8.380 nan 0.000 0.426 1125 A N 1.177 123.896 122.820 -0.168 0.000 1.969 1125 A HA -0.054 4.268 4.320 0.002 0.000 0.218 1125 A C 1.912 179.384 177.584 -0.186 0.000 1.169 1125 A CA 0.995 52.943 52.037 -0.149 0.000 0.635 1125 A CB -0.126 18.755 19.000 -0.198 0.000 0.810 1125 A HN 0.179 nan 8.150 nan 0.000 0.445 1126 K N -0.229 120.006 120.400 -0.275 0.000 2.487 1126 K HA 0.037 4.359 4.320 0.002 0.000 0.192 1126 K C -0.293 176.262 176.600 -0.075 0.000 1.027 1126 K CA 0.097 56.319 56.287 -0.108 0.000 1.054 1126 K CB 0.145 32.638 32.500 -0.012 0.000 0.824 1126 K HN 0.335 nan 8.250 nan 0.000 0.510 1127 K N 0.136 120.465 120.400 -0.117 0.000 3.239 1127 K HA -0.157 4.165 4.320 0.002 0.000 0.270 1127 K C -0.874 175.478 176.600 -0.413 0.000 1.083 1127 K CA 0.664 56.824 56.287 -0.213 0.000 0.782 1127 K CB -2.053 30.300 32.500 -0.244 0.000 1.290 1127 K HN 0.078 nan 8.250 nan 0.000 0.474 1128 F N -1.243 118.718 119.950 0.019 0.000 2.588 1128 F HA 0.516 5.044 4.527 0.003 0.000 0.314 1128 F C 0.172 176.028 175.800 0.093 0.000 1.069 1128 F CA -1.026 57.015 58.000 0.069 0.000 0.931 1128 F CB 1.882 40.960 39.000 0.129 0.000 1.260 1128 F HN -0.156 nan 8.300 nan 0.000 0.465 1129 V N 3.439 123.549 119.914 0.327 0.000 2.448 1129 V HA 0.278 4.399 4.120 0.002 0.000 0.295 1129 V C 0.495 176.772 176.094 0.304 0.000 1.025 1129 V CA -0.179 62.295 62.300 0.291 0.000 0.859 1129 V CB 1.196 33.170 31.823 0.253 0.000 0.988 1129 V HN 0.935 nan 8.190 nan 0.000 0.431 1130 H N 5.854 125.062 119.070 0.230 0.000 2.326 1130 H HA -0.009 4.548 4.556 0.002 0.000 0.301 1130 H C 1.592 177.004 175.328 0.140 0.000 1.081 1130 H CA 2.259 58.431 56.048 0.206 0.000 1.334 1130 H CB 0.367 30.235 29.762 0.177 0.000 1.385 1130 H HN 0.844 nan 8.280 nan 0.000 0.504 1131 R N -0.894 119.828 120.500 0.370 0.000 3.884 1131 R HA -0.189 4.152 4.340 0.002 0.000 0.464 1131 R C -0.305 176.171 176.300 0.292 0.000 0.963 1131 R CA 1.307 57.559 56.100 0.253 0.000 1.408 1131 R CB -1.420 28.784 30.300 -0.160 0.000 2.054 1131 R HN 0.319 nan 8.270 nan 0.000 0.522 1132 D N 0.135 120.812 120.400 0.462 0.000 2.940 1132 D HA 0.151 4.792 4.640 0.002 0.000 0.366 1132 D C -1.073 175.341 176.300 0.190 0.000 1.446 1132 D CA -0.441 53.732 54.000 0.288 0.000 0.780 1132 D CB 0.395 41.280 40.800 0.143 0.000 1.206 1132 D HN 0.044 nan 8.370 nan 0.000 0.454 1133 L N 1.574 122.851 121.223 0.090 0.000 2.410 1133 L HA 0.656 4.998 4.340 0.002 0.000 0.273 1133 L C -0.507 176.369 176.870 0.009 0.000 1.144 1133 L CA 0.242 55.004 54.840 -0.130 0.000 0.863 1133 L CB 0.442 42.494 42.059 -0.011 0.000 1.140 1133 L HN 0.186 nan 8.230 nan 0.000 0.463 1134 A N 3.882 126.649 122.820 -0.090 0.000 2.597 1134 A HA 0.679 5.001 4.320 0.002 0.000 0.292 1134 A C 0.461 178.034 177.584 -0.018 0.000 1.057 1134 A CA -0.161 51.793 52.037 -0.137 0.000 0.674 1134 A CB 0.317 18.824 19.000 -0.821 0.000 1.278 1134 A HN 1.071 nan 8.150 nan 0.000 0.416 1135 A N 0.722 123.615 122.820 0.122 0.000 1.940 1135 A HA -0.160 4.161 4.320 0.002 0.000 0.219 1135 A C 1.957 179.565 177.584 0.040 0.000 1.176 1135 A CA 2.102 54.206 52.037 0.111 0.000 0.631 1135 A CB -0.651 18.459 19.000 0.183 0.000 0.814 1135 A HN 1.120 nan 8.150 nan 0.000 0.446 1136 R N -0.851 119.638 120.500 -0.019 0.000 2.152 1136 R HA -0.052 4.290 4.340 0.002 0.000 0.232 1136 R C 0.558 176.817 176.300 -0.068 0.000 1.117 1136 R CA 1.608 57.680 56.100 -0.047 0.000 0.981 1136 R CB -0.462 29.775 30.300 -0.104 0.000 0.870 1136 R HN 0.350 nan 8.270 nan 0.000 0.451 1137 N N -0.103 118.542 118.700 -0.092 0.000 2.230 1137 N HA 0.105 4.847 4.740 0.002 0.000 0.202 1137 N C -0.746 174.714 175.510 -0.084 0.000 1.119 1137 N CA -0.026 52.966 53.050 -0.095 0.000 0.851 1137 N CB 0.492 38.922 38.487 -0.095 0.000 0.990 1137 N HN 0.149 nan 8.380 nan 0.000 0.497 1138 C N 1.508 120.784 119.300 -0.041 0.000 2.376 1138 C HA 0.560 5.021 4.460 0.002 0.000 0.335 1138 C C 0.204 175.194 174.990 0.000 0.000 1.229 1138 C CA -0.835 58.174 59.018 -0.014 0.000 1.867 1138 C CB 0.760 28.514 27.740 0.023 0.000 2.319 1138 C HN 0.193 nan 8.230 nan 0.000 0.515 1139 M N 2.497 122.096 119.600 -0.002 0.000 2.578 1139 M HA 0.568 5.049 4.480 0.002 0.000 0.321 1139 M C -0.690 175.600 176.300 -0.017 0.000 1.182 1139 M CA -0.585 54.712 55.300 -0.005 0.000 0.965 1139 M CB 1.536 34.129 32.600 -0.012 0.000 1.694 1139 M HN 0.308 nan 8.290 nan 0.000 0.461 1140 V N 1.428 121.317 119.914 -0.042 0.000 2.448 1140 V HA 0.699 4.820 4.120 0.002 0.000 0.295 1140 V C 0.331 176.369 176.094 -0.092 0.000 1.025 1140 V CA -1.002 61.239 62.300 -0.098 0.000 0.859 1140 V CB 1.194 32.857 31.823 -0.267 0.000 0.988 1140 V HN 1.021 nan 8.190 nan 0.000 0.431 1141 A N 2.623 125.362 122.820 -0.134 0.000 2.259 1141 A HA 0.473 4.795 4.320 0.002 0.000 0.278 1141 A C 1.242 178.655 177.584 -0.284 0.000 1.107 1141 A CA 0.477 52.397 52.037 -0.195 0.000 0.828 1141 A CB -0.002 18.843 19.000 -0.259 0.000 1.111 1141 A HN 1.241 nan 8.150 nan 0.000 0.498 1142 H N -0.626 118.295 119.070 -0.249 0.000 2.387 1142 H HA -0.143 4.414 4.556 0.002 0.000 0.299 1142 H C 0.750 175.781 175.328 -0.494 0.000 1.099 1142 H CA 1.796 57.636 56.048 -0.346 0.000 1.315 1142 H CB -0.201 29.417 29.762 -0.240 0.000 1.380 1142 H HN 0.607 nan 8.280 nan 0.000 0.513 1143 D N -0.770 119.063 120.400 -0.945 0.000 2.325 1143 D HA -0.077 4.564 4.640 0.002 0.000 0.225 1143 D C -0.040 176.054 176.300 -0.343 0.000 1.096 1143 D CA -0.455 53.205 54.000 -0.567 0.000 0.844 1143 D CB -0.720 39.829 40.800 -0.420 0.000 0.925 1143 D HN 0.510 nan 8.370 nan 0.000 0.513 1144 F N -1.198 118.678 119.950 -0.123 0.000 2.699 1144 F HA -0.231 4.297 4.527 0.002 0.000 0.343 1144 F C 0.377 176.105 175.800 -0.120 0.000 0.633 1144 F CA 0.589 58.495 58.000 -0.156 0.000 1.365 1144 F CB -2.768 36.150 39.000 -0.137 0.000 1.795 1144 F HN -0.111 nan 8.300 nan 0.000 0.304 1145 T N 1.906 116.443 114.554 -0.028 0.000 2.916 1145 T HA 0.480 4.832 4.350 0.002 0.000 0.303 1145 T C 0.538 175.252 174.700 0.024 0.000 1.025 1145 T CA -0.241 61.883 62.100 0.042 0.000 1.142 1145 T CB 1.421 70.311 68.868 0.037 0.000 0.947 1145 T HN 0.049 nan 8.240 nan 0.000 0.544 1146 V N 4.791 124.752 119.914 0.078 0.000 2.539 1146 V HA 0.490 4.611 4.120 0.002 0.000 0.292 1146 V C 0.203 176.355 176.094 0.096 0.000 1.045 1146 V CA -0.570 61.766 62.300 0.060 0.000 0.945 1146 V CB 1.356 33.219 31.823 0.067 0.000 0.993 1146 V HN 0.770 nan 8.190 nan 0.000 0.464 1147 K N 3.819 124.256 120.400 0.061 0.000 2.477 1147 K HA 0.598 4.919 4.320 0.002 0.000 0.255 1147 K C -1.402 175.233 176.600 0.059 0.000 0.952 1147 K CA -0.957 55.376 56.287 0.078 0.000 0.826 1147 K CB 2.464 34.983 32.500 0.030 0.000 1.331 1147 K HN 0.346 nan 8.250 nan 0.000 0.437 1148 I N 2.009 122.631 120.570 0.087 0.000 2.496 1148 I HA 0.250 4.421 4.170 0.002 0.000 0.285 1148 I C 0.862 176.999 176.117 0.033 0.000 1.080 1148 I CA 0.345 61.677 61.300 0.054 0.000 1.404 1148 I CB 0.277 38.354 38.000 0.129 0.000 1.403 1148 I HN 0.823 nan 8.210 nan 0.000 0.539 1149 G N 3.362 112.048 108.800 -0.192 0.000 3.176 1149 G HA2 0.392 4.353 3.960 0.002 0.000 0.272 1149 G HA3 0.392 4.353 3.960 0.002 0.000 0.272 1149 G C -0.811 173.672 174.900 -0.695 0.000 1.349 1149 G CA -0.420 44.450 45.100 -0.383 0.000 0.953 1149 G HN 0.574 nan 8.290 nan 0.000 0.559 1150 D N -1.325 118.768 120.400 -0.511 0.000 3.617 1150 D HA -0.166 4.476 4.640 0.002 0.000 0.226 1150 D C -0.248 175.695 176.300 -0.595 0.000 1.125 1150 D CA 0.368 54.147 54.000 -0.368 0.000 1.083 1150 D CB -0.847 39.851 40.800 -0.170 0.000 0.833 1150 D HN 0.233 nan 8.370 nan 0.000 0.399 1151 F N 0.497 120.401 119.950 -0.077 0.000 2.668 1151 F HA 0.346 4.875 4.527 0.003 0.000 0.297 1151 F C 2.219 177.924 175.800 -0.159 0.000 1.124 1151 F CA 0.047 57.923 58.000 -0.206 0.000 1.353 1151 F CB 0.422 39.343 39.000 -0.131 0.000 0.992 1151 F HN 0.338 nan 8.300 nan 0.000 0.524 1152 G N 0.325 109.119 108.800 -0.009 0.000 2.442 1152 G HA2 -0.234 3.728 3.960 0.002 0.000 0.219 1152 G HA3 -0.234 3.728 3.960 0.002 0.000 0.219 1152 G C 1.498 176.394 174.900 -0.007 0.000 1.141 1152 G CA 0.607 45.735 45.100 0.045 0.000 0.763 1152 G HN 0.337 nan 8.290 nan 0.000 0.554 1153 M N 1.009 120.568 119.600 -0.069 0.000 2.428 1153 M HA 0.118 4.600 4.480 0.002 0.000 0.239 1153 M C 0.350 176.597 176.300 -0.089 0.000 1.121 1153 M CA -0.002 55.246 55.300 -0.086 0.000 1.019 1153 M CB 0.399 32.943 32.600 -0.095 0.000 1.485 1153 M HN -0.096 nan 8.290 nan 0.000 0.484 1154 T N 2.703 117.216 114.554 -0.069 0.000 2.928 1154 T HA 0.157 4.508 4.350 0.002 0.000 0.305 1154 T C 0.336 175.094 174.700 0.097 0.000 1.035 1154 T CA 0.258 62.373 62.100 0.026 0.000 1.145 1154 T CB 0.431 69.346 68.868 0.077 0.000 0.963 1154 T HN 0.194 nan 8.240 nan 0.000 0.545 1155 R N 2.033 122.642 120.500 0.182 0.000 2.744 1155 R HA 0.321 4.662 4.340 0.002 0.000 0.279 1155 R C -0.872 175.588 176.300 0.268 0.000 0.977 1155 R CA -0.955 55.255 56.100 0.183 0.000 0.906 1155 R CB 1.607 31.946 30.300 0.066 0.000 1.197 1155 R HN 0.601 nan 8.270 nan 0.000 0.463 1156 D N 3.054 123.543 120.400 0.150 0.000 2.348 1156 D HA 0.263 4.904 4.640 0.002 0.000 0.253 1156 D C 0.169 176.386 176.300 -0.140 0.000 1.161 1156 D CA -0.072 53.816 54.000 -0.187 0.000 0.876 1156 D CB 0.530 41.229 40.800 -0.168 0.000 1.160 1156 D HN 0.465 nan 8.370 nan 0.000 0.459 1160 T N -1.191 113.352 114.554 -0.018 0.000 2.975 1160 T HA 0.217 4.569 4.350 0.002 0.000 0.257 1160 T C 0.303 175.006 174.700 0.005 0.000 1.003 1160 T CA 0.473 62.571 62.100 -0.003 0.000 0.932 1160 T CB 1.095 69.965 68.868 0.004 0.000 1.087 1160 T HN -0.054 nan 8.240 nan 0.000 0.512 1165 K N 2.415 122.930 120.400 0.190 0.000 2.412 1165 K HA 0.198 4.519 4.320 0.002 0.000 0.281 1165 K C 0.631 177.280 176.600 0.083 0.000 1.027 1165 K CA 0.765 57.132 56.287 0.134 0.000 0.989 1165 K CB 0.905 33.527 32.500 0.203 0.000 0.935 1165 K HN 0.686 nan 8.250 nan 0.000 0.475 1166 G N 3.415 112.245 108.800 0.051 0.000 2.629 1166 G HA2 0.030 3.991 3.960 0.002 0.000 0.213 1166 G HA3 0.030 3.991 3.960 0.002 0.000 0.213 1166 G C 0.658 175.578 174.900 0.033 0.000 1.425 1166 G CA 0.432 45.553 45.100 0.036 0.000 0.929 1166 G HN 0.774 nan 8.290 nan 0.000 0.527 1167 G N -0.439 108.375 108.800 0.025 0.000 2.679 1167 G HA2 0.477 4.438 3.960 0.002 0.000 0.202 1167 G HA3 0.477 4.438 3.960 0.002 0.000 0.202 1167 G C 0.161 175.078 174.900 0.028 0.000 1.566 1167 G CA 0.726 45.840 45.100 0.022 0.000 1.074 1167 G HN 0.769 nan 8.290 nan 0.000 0.564 1168 K N -1.319 119.094 120.400 0.023 0.000 2.118 1168 K HA 0.766 5.087 4.320 0.002 0.000 0.254 1168 K C 0.097 176.712 176.600 0.025 0.000 0.961 1168 K CA -0.147 56.156 56.287 0.027 0.000 0.876 1168 K CB 1.343 33.855 32.500 0.021 0.000 1.077 1168 K HN 1.876 nan 8.250 nan 0.000 0.440 1169 G N -0.288 108.531 108.800 0.033 0.000 2.506 1169 G HA2 0.463 4.424 3.960 0.002 0.000 0.292 1169 G HA3 0.463 4.424 3.960 0.002 0.000 0.292 1169 G C -1.438 173.487 174.900 0.041 0.000 1.425 1169 G CA -0.902 44.215 45.100 0.029 0.000 0.788 1169 G HN 0.594 nan 8.290 nan 0.000 0.490 1170 L N 0.891 122.137 121.223 0.039 0.000 2.369 1170 L HA 0.426 4.767 4.340 0.002 0.000 0.279 1170 L C -0.201 176.708 176.870 0.065 0.000 1.108 1170 L CA -0.159 54.712 54.840 0.052 0.000 0.852 1170 L CB 0.395 42.482 42.059 0.048 0.000 1.169 1170 L HN 0.207 nan 8.230 nan 0.000 0.452 1171 L N 6.109 127.387 121.223 0.092 0.000 2.346 1171 L HA 0.464 4.805 4.340 0.002 0.000 0.276 1171 L C -1.887 175.080 176.870 0.161 0.000 1.006 1171 L CA -1.720 53.201 54.840 0.134 0.000 0.817 1171 L CB 2.107 44.269 42.059 0.172 0.000 1.272 1171 L HN 0.423 nan 8.230 nan 0.000 0.421 1172 P HA 0.068 nan 4.420 nan 0.000 0.237 1172 P C 1.056 178.597 177.300 0.401 0.000 1.788 1172 P CA -0.198 63.079 63.100 0.295 0.000 1.061 1172 P CB 0.586 32.420 31.700 0.225 0.000 1.967 1173 V N 3.191 123.263 119.914 0.264 0.000 2.277 1173 V HA -0.311 3.811 4.120 0.002 0.000 0.253 1173 V C 2.546 178.711 176.094 0.118 0.000 1.067 1173 V CA 2.083 64.473 62.300 0.149 0.000 1.047 1173 V CB -0.925 30.934 31.823 0.060 0.000 0.649 1173 V HN 0.435 nan 8.190 nan 0.000 0.447 1174 R N -1.549 119.050 120.500 0.165 0.000 2.285 1174 R HA -0.117 4.225 4.340 0.002 0.000 0.213 1174 R C 1.798 178.001 176.300 -0.162 0.000 1.068 1174 R CA 1.234 57.274 56.100 -0.099 0.000 1.004 1174 R CB -0.140 29.957 30.300 -0.338 0.000 0.873 1174 R HN 0.607 nan 8.270 nan 0.000 0.467 1175 W N -0.279 121.156 121.300 0.225 0.000 3.127 1175 W HA 0.286 4.947 4.660 0.002 0.000 0.344 1175 W C 0.083 176.819 176.519 0.360 0.000 1.151 1175 W CA -0.525 57.009 57.345 0.315 0.000 1.765 1175 W CB 0.276 29.896 29.460 0.267 0.000 1.085 1175 W HN 0.007 nan 8.180 nan 0.000 0.596 1176 M N 0.555 120.352 119.600 0.328 0.000 2.249 1176 M HA 0.391 4.872 4.480 0.002 0.000 0.351 1176 M C 0.638 176.633 176.300 -0.508 0.000 1.180 1176 M CA -0.172 55.163 55.300 0.058 0.000 1.127 1176 M CB 1.207 33.823 32.600 0.027 0.000 1.546 1176 M HN -0.255 nan 8.290 nan 0.000 0.461 1177 A N 4.336 126.748 122.820 -0.679 0.000 2.386 1177 A HA 0.344 4.665 4.320 0.002 0.000 0.248 1177 A C -1.581 175.431 177.584 -0.954 0.000 1.082 1177 A CA -1.288 49.999 52.037 -1.250 0.000 0.789 1177 A CB -0.406 18.252 19.000 -0.570 0.000 1.025 1177 A HN 0.677 nan 8.150 nan 0.000 0.490 1178 P HA -0.237 nan 4.420 nan 0.000 0.216 1178 P C 1.049 178.037 177.300 -0.521 0.000 1.150 1178 P CA 1.741 64.417 63.100 -0.705 0.000 0.843 1178 P CB 0.036 31.259 31.700 -0.795 0.000 0.787 1179 E N 0.234 120.109 120.200 -0.542 0.000 2.204 1179 E HA -0.081 4.271 4.350 0.002 0.000 0.194 1179 E C 1.699 178.085 176.600 -0.358 0.000 0.989 1179 E CA 1.113 57.287 56.400 -0.376 0.000 0.824 1179 E CB -0.990 28.518 29.700 -0.319 0.000 0.756 1179 E HN 0.178 nan 8.360 nan 0.000 0.477 1180 S N 1.026 116.442 115.700 -0.472 0.000 2.395 1180 S HA 0.092 4.564 4.470 0.002 0.000 0.225 1180 S C 2.114 176.476 174.600 -0.397 0.000 1.027 1180 S CA 0.519 58.344 58.200 -0.625 0.000 0.965 1180 S CB -0.169 62.455 63.200 -0.961 0.000 0.812 1180 S HN 0.182 nan 8.310 nan 0.000 0.482 1181 L N 1.276 122.306 121.223 -0.321 0.000 2.141 1181 L HA -0.053 4.288 4.340 0.002 0.000 0.209 1181 L C 2.483 179.265 176.870 -0.147 0.000 1.094 1181 L CA 1.158 55.880 54.840 -0.197 0.000 0.763 1181 L CB -0.281 41.651 42.059 -0.213 0.000 0.908 1181 L HN 0.259 nan 8.230 nan 0.000 0.437 1182 K N -0.288 120.009 120.400 -0.171 0.000 2.044 1182 K HA -0.091 4.230 4.320 0.002 0.000 0.204 1182 K C 1.020 177.568 176.600 -0.088 0.000 1.045 1182 K CA 1.364 57.584 56.287 -0.112 0.000 0.951 1182 K CB 0.281 32.718 32.500 -0.105 0.000 0.738 1182 K HN 0.201 nan 8.250 nan 0.000 0.443 1183 D N -1.274 119.058 120.400 -0.113 0.000 2.441 1183 D HA 0.118 4.760 4.640 0.002 0.000 0.210 1183 D C 0.565 176.830 176.300 -0.060 0.000 1.102 1183 D CA 0.716 54.671 54.000 -0.074 0.000 0.840 1183 D CB 1.154 41.912 40.800 -0.070 0.000 0.990 1183 D HN 0.497 nan 8.370 nan 0.000 0.505 1184 G N 1.351 110.087 108.800 -0.107 0.000 2.160 1184 G HA2 -0.269 3.693 3.960 0.002 0.000 0.251 1184 G HA3 -0.269 3.693 3.960 0.002 0.000 0.251 1184 G C 0.241 175.130 174.900 -0.019 0.000 1.008 1184 G CA 0.171 45.256 45.100 -0.025 0.000 0.724 1184 G HN 0.272 nan 8.290 nan 0.000 0.514 1185 V N 0.657 120.449 119.914 -0.204 0.000 2.383 1185 V HA 0.675 4.797 4.120 0.002 0.000 0.275 1185 V C 0.008 175.934 176.094 -0.281 0.000 1.036 1185 V CA -0.485 61.752 62.300 -0.105 0.000 0.889 1185 V CB 0.816 32.592 31.823 -0.078 0.000 0.985 1185 V HN 0.223 nan 8.190 nan 0.000 0.459 1186 F N 3.236 123.205 119.950 0.032 0.000 2.458 1186 F HA 0.734 5.262 4.527 0.002 0.000 0.336 1186 F C 0.614 176.458 175.800 0.073 0.000 1.114 1186 F CA -0.415 57.623 58.000 0.062 0.000 0.987 1186 F CB 2.172 41.225 39.000 0.087 0.000 1.130 1186 F HN 0.593 nan 8.300 nan 0.000 0.458 1187 T N -2.597 112.093 114.554 0.226 0.000 2.778 1187 T HA 0.215 4.567 4.350 0.002 0.000 0.293 1187 T C 0.651 175.481 174.700 0.217 0.000 1.144 1187 T CA -0.333 61.873 62.100 0.177 0.000 1.010 1187 T CB 1.414 70.343 68.868 0.101 0.000 1.325 1187 T HN 0.465 nan 8.240 nan 0.000 0.515 1188 T N 0.097 114.768 114.554 0.195 0.000 2.929 1188 T HA -0.058 4.294 4.350 0.002 0.000 0.271 1188 T C 1.830 176.651 174.700 0.202 0.000 1.085 1188 T CA 2.046 64.297 62.100 0.252 0.000 1.125 1188 T CB -0.996 68.006 68.868 0.224 0.000 0.874 1188 T HN 0.582 nan 8.240 nan 0.000 0.494 1189 S N 1.119 116.897 115.700 0.129 0.000 2.383 1189 S HA -0.081 4.391 4.470 0.002 0.000 0.227 1189 S C 2.389 177.088 174.600 0.165 0.000 1.026 1189 S CA 1.362 59.617 58.200 0.092 0.000 0.981 1189 S CB -0.347 62.889 63.200 0.060 0.000 0.818 1189 S HN 0.830 nan 8.310 nan 0.000 0.472 1190 S N 1.692 117.499 115.700 0.178 0.000 2.428 1190 S HA -0.066 4.406 4.470 0.002 0.000 0.230 1190 S C 1.233 176.057 174.600 0.373 0.000 1.014 1190 S CA 0.866 59.194 58.200 0.212 0.000 0.957 1190 S CB -0.358 62.881 63.200 0.065 0.000 0.784 1190 S HN 0.255 nan 8.310 nan 0.000 0.499 1191 D N 1.251 121.891 120.400 0.400 0.000 2.144 1191 D HA 0.025 4.667 4.640 0.002 0.000 0.200 1191 D C 1.731 178.376 176.300 0.575 0.000 0.978 1191 D CA 0.908 55.219 54.000 0.517 0.000 0.833 1191 D CB -0.359 40.793 40.800 0.586 0.000 0.961 1191 D HN 0.359 nan 8.370 nan 0.000 0.470 1192 M N -0.170 119.616 119.600 0.311 0.000 2.159 1192 M HA -0.106 4.376 4.480 0.002 0.000 0.263 1192 M C 1.795 178.287 176.300 0.319 0.000 1.063 1192 M CA 1.173 56.509 55.300 0.060 0.000 1.110 1192 M CB -0.570 31.901 32.600 -0.216 0.000 1.374 1192 M HN 0.221 nan 8.290 nan 0.000 0.411 1193 W N 0.300 121.742 121.300 0.237 0.000 2.335 1193 W HA -0.179 4.482 4.660 0.002 0.000 0.311 1193 W C 1.889 178.678 176.519 0.450 0.000 1.213 1193 W CA 1.989 59.540 57.345 0.343 0.000 1.274 1193 W CB -0.921 28.686 29.460 0.246 0.000 1.148 1193 W HN 0.260 nan 8.180 nan 0.000 0.498 1194 S N 0.746 116.870 115.700 0.707 0.000 2.382 1194 S HA -0.229 4.243 4.470 0.002 0.000 0.228 1194 S C 1.540 176.470 174.600 0.550 0.000 1.027 1194 S CA 1.547 60.143 58.200 0.660 0.000 0.991 1194 S CB -1.076 62.485 63.200 0.603 0.000 0.823 1194 S HN 0.333 nan 8.310 nan 0.000 0.469 1195 F N 2.740 122.911 119.950 0.369 0.000 2.161 1195 F HA -0.052 4.477 4.527 0.003 0.000 0.300 1195 F C 2.223 178.123 175.800 0.166 0.000 1.089 1195 F CA 1.241 59.418 58.000 0.296 0.000 1.282 1195 F CB -0.949 38.277 39.000 0.376 0.000 1.010 1195 F HN 0.211 nan 8.300 nan 0.000 0.485 1196 G N -0.118 108.725 108.800 0.070 0.000 2.418 1196 G HA2 -0.206 3.755 3.960 0.002 0.000 0.217 1196 G HA3 -0.206 3.755 3.960 0.002 0.000 0.217 1196 G C 1.706 176.648 174.900 0.069 0.000 1.158 1196 G CA 1.180 46.107 45.100 -0.288 0.000 0.771 1196 G HN 0.348 nan 8.290 nan 0.000 0.545 1197 V N 0.582 120.725 119.914 0.381 0.000 2.427 1197 V HA -0.145 3.976 4.120 0.002 0.000 0.248 1197 V C 2.992 179.300 176.094 0.356 0.000 1.051 1197 V CA 1.288 63.816 62.300 0.381 0.000 1.048 1197 V CB -0.286 31.622 31.823 0.142 0.000 0.666 1197 V HN 0.245 nan 8.190 nan 0.000 0.456 1198 V N 0.012 120.088 119.914 0.270 0.000 2.407 1198 V HA -0.247 3.874 4.120 0.002 0.000 0.248 1198 V C 2.306 178.422 176.094 0.037 0.000 1.055 1198 V CA 1.869 64.283 62.300 0.190 0.000 1.049 1198 V CB -0.562 31.321 31.823 0.100 0.000 0.662 1198 V HN 0.459 nan 8.190 nan 0.000 0.455 1199 L N -1.637 119.494 121.223 -0.154 0.000 2.083 1199 L HA -0.200 4.141 4.340 0.002 0.000 0.209 1199 L C 2.291 179.149 176.870 -0.020 0.000 1.083 1199 L CA 1.999 56.721 54.840 -0.198 0.000 0.752 1199 L CB -0.533 41.303 42.059 -0.371 0.000 0.899 1199 L HN 0.516 nan 8.230 nan 0.000 0.433 1200 W N 1.450 122.715 121.300 -0.058 0.000 2.381 1200 W HA -0.164 4.497 4.660 0.002 0.000 0.301 1200 W C 2.380 178.905 176.519 0.010 0.000 1.205 1200 W CA 1.455 58.812 57.345 0.020 0.000 1.285 1200 W CB 0.097 29.648 29.460 0.152 0.000 1.133 1200 W HN 0.075 nan 8.180 nan 0.000 0.521 1201 E N 0.178 120.580 120.200 0.336 0.000 2.072 1201 E HA -0.235 4.116 4.350 0.002 0.000 0.191 1201 E C 2.106 178.697 176.600 -0.015 0.000 0.985 1201 E CA 1.731 58.251 56.400 0.199 0.000 0.801 1201 E CB -0.449 29.459 29.700 0.347 0.000 0.750 1201 E HN 0.372 nan 8.360 nan 0.000 0.452 1202 I N 1.284 121.847 120.570 -0.012 0.000 2.179 1202 I HA -0.238 3.934 4.170 0.002 0.000 0.242 1202 I C 2.645 178.684 176.117 -0.131 0.000 1.088 1202 I CA 1.600 62.869 61.300 -0.053 0.000 1.357 1202 I CB -0.505 37.466 38.000 -0.047 0.000 1.051 1202 I HN 0.209 nan 8.210 nan 0.000 0.409 1203 T N -2.719 111.721 114.554 -0.191 0.000 3.118 1203 T HA -0.013 4.338 4.350 0.002 0.000 0.260 1203 T C 1.426 175.924 174.700 -0.337 0.000 1.139 1203 T CA 0.846 62.803 62.100 -0.238 0.000 1.085 1203 T CB -0.286 68.447 68.868 -0.226 0.000 0.934 1203 T HN 0.420 nan 8.240 nan 0.000 0.518 1204 S N 0.637 116.071 115.700 -0.444 0.000 2.629 1204 S HA 0.374 4.846 4.470 0.002 0.000 0.236 1204 S C 0.738 175.165 174.600 -0.288 0.000 1.010 1204 S CA -0.598 57.304 58.200 -0.497 0.000 0.981 1204 S CB -0.590 62.020 63.200 -0.983 0.000 0.919 1204 S HN 0.462 nan 8.310 nan 0.000 0.514 1205 L N 0.782 121.885 121.223 -0.200 0.000 3.597 1205 L HA -0.272 4.069 4.340 0.002 0.000 0.440 1205 L C 0.779 177.606 176.870 -0.071 0.000 1.277 1205 L CA 0.097 54.863 54.840 -0.123 0.000 0.852 1205 L CB -2.410 39.576 42.059 -0.123 0.000 1.708 1205 L HN 0.864 nan 8.230 nan 0.000 0.885 1206 A N -0.956 121.842 122.820 -0.036 0.000 2.800 1206 A HA -0.190 4.131 4.320 0.002 0.000 0.292 1206 A C 0.808 178.454 177.584 0.105 0.000 1.474 1206 A CA 1.705 53.787 52.037 0.075 0.000 0.744 1206 A CB -1.118 17.940 19.000 0.097 0.000 1.044 1206 A HN 0.675 nan 8.150 nan 0.000 0.489 1207 E N -0.664 119.574 120.200 0.063 0.000 2.351 1207 E HA 0.345 4.697 4.350 0.002 0.000 0.255 1207 E C 0.394 177.206 176.600 0.354 0.000 1.188 1207 E CA -0.632 55.853 56.400 0.142 0.000 0.940 1207 E CB 0.353 30.088 29.700 0.058 0.000 1.094 1207 E HN 0.551 nan 8.360 nan 0.000 0.474 1208 Q N 1.555 121.530 119.800 0.291 0.000 2.295 1208 Q HA 0.172 4.513 4.340 0.002 0.000 0.259 1208 Q C -2.498 173.584 176.000 0.136 0.000 0.976 1208 Q CA -1.733 54.215 55.803 0.243 0.000 0.923 1208 Q CB 0.854 29.692 28.738 0.166 0.000 1.185 1208 Q HN 0.007 nan 8.270 nan 0.000 0.410 1209 P HA -0.035 nan 4.420 nan 0.000 0.268 1209 P C -1.180 175.909 177.300 -0.352 0.000 1.204 1209 P CA 0.335 62.968 63.100 -0.780 0.000 0.768 1209 P CB 0.157 31.297 31.700 -0.933 0.000 0.842 1210 Y N -0.675 119.386 120.300 -0.399 0.000 3.589 1210 Y HA -0.244 4.308 4.550 0.002 0.000 0.218 1210 Y C 0.844 176.663 175.900 -0.135 0.000 1.234 1210 Y CA 0.088 58.043 58.100 -0.241 0.000 1.576 1210 Y CB -2.670 35.653 38.460 -0.228 0.000 1.487 1210 Y HN 0.354 nan 8.280 nan 0.000 0.616 1211 Q N 1.544 121.353 119.800 0.016 0.000 2.263 1211 Q HA 0.375 4.716 4.340 0.002 0.000 0.289 1211 Q C 1.265 177.277 176.000 0.019 0.000 1.061 1211 Q CA 1.639 57.468 55.803 0.043 0.000 0.927 1211 Q CB 0.640 29.419 28.738 0.069 0.000 1.154 1211 Q HN 0.817 nan 8.270 nan 0.000 0.378 1212 G N 2.960 111.769 108.800 0.014 0.000 2.253 1212 G HA2 -0.184 3.777 3.960 0.002 0.000 0.209 1212 G HA3 -0.184 3.777 3.960 0.002 0.000 0.209 1212 G C -0.320 174.565 174.900 -0.025 0.000 0.997 1212 G CA -0.039 45.057 45.100 -0.008 0.000 0.640 1212 G HN 0.532 nan 8.290 nan 0.000 0.496 1213 L N 2.167 123.377 121.223 -0.023 0.000 2.331 1213 L HA 0.669 5.010 4.340 0.002 0.000 0.275 1213 L C 1.139 177.992 176.870 -0.028 0.000 1.022 1213 L CA -0.452 54.359 54.840 -0.048 0.000 0.812 1213 L CB 1.895 43.900 42.059 -0.090 0.000 1.257 1213 L HN 0.388 nan 8.230 nan 0.000 0.435 1214 S N 0.425 116.105 115.700 -0.033 0.000 2.645 1214 S HA 0.206 4.677 4.470 0.002 0.000 0.266 1214 S C 0.779 175.360 174.600 -0.032 0.000 1.258 1214 S CA -0.750 57.440 58.200 -0.017 0.000 0.990 1214 S CB 0.929 64.121 63.200 -0.014 0.000 0.967 1214 S HN 0.586 nan 8.310 nan 0.000 0.556 1215 N N 1.226 119.918 118.700 -0.012 0.000 2.149 1215 N HA -0.117 4.624 4.740 0.002 0.000 0.188 1215 N C 1.571 177.057 175.510 -0.040 0.000 1.019 1215 N CA 1.559 54.598 53.050 -0.019 0.000 0.857 1215 N CB -0.495 38.004 38.487 0.020 0.000 0.997 1215 N HN 0.752 nan 8.380 nan 0.000 0.426 1216 E N 0.645 120.828 120.200 -0.028 0.000 2.106 1216 E HA -0.139 4.213 4.350 0.002 0.000 0.192 1216 E C 1.880 178.455 176.600 -0.042 0.000 0.984 1216 E CA 0.730 57.113 56.400 -0.030 0.000 0.806 1216 E CB -0.057 29.632 29.700 -0.017 0.000 0.750 1216 E HN 0.475 nan 8.360 nan 0.000 0.458 1217 Q N 0.259 120.028 119.800 -0.051 0.000 2.119 1217 Q HA -0.105 4.236 4.340 0.002 0.000 0.201 1217 Q C 2.366 178.322 176.000 -0.074 0.000 0.972 1217 Q CA 1.021 56.789 55.803 -0.058 0.000 0.847 1217 Q CB 0.125 28.819 28.738 -0.073 0.000 0.903 1217 Q HN 0.130 nan 8.270 nan 0.000 0.433 1218 V N 1.606 121.435 119.914 -0.141 0.000 2.295 1218 V HA -0.254 3.868 4.120 0.002 0.000 0.246 1218 V C 2.192 178.166 176.094 -0.201 0.000 1.049 1218 V CA 1.371 63.504 62.300 -0.278 0.000 1.024 1218 V CB -0.674 30.884 31.823 -0.441 0.000 0.648 1218 V HN 0.460 nan 8.190 nan 0.000 0.447 1219 L N 0.801 121.938 121.223 -0.143 0.000 2.013 1219 L HA -0.230 4.111 4.340 0.002 0.000 0.212 1219 L C 2.474 179.293 176.870 -0.086 0.000 1.073 1219 L CA 2.772 57.542 54.840 -0.116 0.000 0.753 1219 L CB -0.899 41.116 42.059 -0.074 0.000 0.890 1219 L HN 0.391 nan 8.230 nan 0.000 0.432 1220 K N -0.153 120.222 120.400 -0.041 0.000 2.057 1220 K HA -0.246 4.075 4.320 0.002 0.000 0.206 1220 K C 2.075 178.694 176.600 0.033 0.000 1.050 1220 K CA 1.704 57.986 56.287 -0.008 0.000 0.935 1220 K CB -0.890 31.613 32.500 0.005 0.000 0.715 1220 K HN 0.273 nan 8.250 nan 0.000 0.439 1221 F N 0.641 120.513 119.950 -0.131 0.000 2.069 1221 F HA -0.166 4.363 4.527 0.003 0.000 0.298 1221 F C 1.810 177.552 175.800 -0.096 0.000 1.113 1221 F CA 1.613 59.541 58.000 -0.122 0.000 1.214 1221 F CB -0.683 38.220 39.000 -0.162 0.000 0.978 1221 F HN -0.104 nan 8.300 nan 0.000 0.474 1222 V N 0.612 120.371 119.914 -0.257 0.000 2.358 1222 V HA -0.340 3.782 4.120 0.002 0.000 0.246 1222 V C 2.540 178.524 176.094 -0.185 0.000 1.047 1222 V CA 2.185 64.296 62.300 -0.314 0.000 1.035 1222 V CB -0.684 30.966 31.823 -0.288 0.000 0.658 1222 V HN 0.374 nan 8.190 nan 0.000 0.452 1223 M N -0.220 119.301 119.600 -0.131 0.000 2.213 1223 M HA -0.176 4.305 4.480 0.002 0.000 0.263 1223 M C 1.542 177.879 176.300 0.062 0.000 1.062 1223 M CA 1.521 56.802 55.300 -0.031 0.000 1.105 1223 M CB -0.490 32.080 32.600 -0.051 0.000 1.385 1223 M HN 0.299 nan 8.290 nan 0.000 0.417 1224 D N -0.345 120.033 120.400 -0.036 0.000 2.363 1224 D HA 0.069 4.711 4.640 0.002 0.000 0.226 1224 D C 1.326 177.549 176.300 -0.127 0.000 1.020 1224 D CA 0.997 54.956 54.000 -0.068 0.000 0.892 1224 D CB 0.107 40.875 40.800 -0.053 0.000 0.900 1224 D HN 0.555 nan 8.370 nan 0.000 0.531 1225 G N -0.405 108.356 108.800 -0.066 0.000 2.163 1225 G HA2 -0.134 3.828 3.960 0.002 0.000 0.213 1225 G HA3 -0.134 3.828 3.960 0.002 0.000 0.213 1225 G C 0.701 175.489 174.900 -0.187 0.000 0.991 1225 G CA -0.157 44.926 45.100 -0.029 0.000 0.653 1225 G HN 0.579 nan 8.290 nan 0.000 0.518 1226 G N -0.413 108.006 108.800 -0.636 0.000 2.562 1226 G HA2 0.814 4.775 3.960 0.002 0.000 0.275 1226 G HA3 0.814 4.775 3.960 0.002 0.000 0.275 1226 G C -0.348 174.128 174.900 -0.706 0.000 1.196 1226 G CA 0.066 44.355 45.100 -1.351 0.000 0.908 1226 G HN 1.507 nan 8.290 nan 0.000 0.524 1227 Y N -2.221 117.884 120.300 -0.325 0.000 2.750 1227 Y HA 0.613 5.165 4.550 0.002 0.000 0.335 1227 Y C -0.744 175.085 175.900 -0.119 0.000 1.252 1227 Y CA -1.735 56.249 58.100 -0.193 0.000 1.064 1227 Y CB 0.475 38.761 38.460 -0.290 0.000 1.321 1227 Y HN 0.494 nan 8.280 nan 0.000 0.451 1228 L N 2.403 123.395 121.223 -0.385 0.000 2.464 1228 L HA 0.254 4.596 4.340 0.002 0.000 0.264 1228 L C 0.035 176.989 176.870 0.140 0.000 1.199 1228 L CA -0.142 54.437 54.840 -0.436 0.000 0.818 1228 L CB 0.192 41.572 42.059 -1.133 0.000 1.102 1228 L HN 0.600 nan 8.230 nan 0.000 0.473 1229 D N 0.353 120.868 120.400 0.192 0.000 2.383 1229 D HA 0.125 4.767 4.640 0.002 0.000 0.248 1229 D C -0.128 176.434 176.300 0.436 0.000 1.170 1229 D CA -0.362 53.822 54.000 0.307 0.000 0.977 1229 D CB 0.644 41.572 40.800 0.213 0.000 1.120 1229 D HN 0.291 nan 8.370 nan 0.000 0.481 1230 Q N 0.803 120.786 119.800 0.305 0.000 2.304 1230 Q HA 0.300 4.641 4.340 0.002 0.000 0.260 1230 Q C -2.043 174.025 176.000 0.113 0.000 0.965 1230 Q CA -1.476 54.459 55.803 0.219 0.000 0.898 1230 Q CB 0.390 29.195 28.738 0.112 0.000 1.196 1230 Q HN 0.098 nan 8.270 nan 0.000 0.402 1231 P HA -0.032 nan 4.420 nan 0.000 0.271 1231 P C -0.648 176.591 177.300 -0.103 0.000 1.233 1231 P CA -0.155 62.832 63.100 -0.187 0.000 0.789 1231 P CB 0.532 31.953 31.700 -0.464 0.000 0.951 1232 D N 1.705 122.048 120.400 -0.095 0.000 2.493 1232 D HA -0.039 4.603 4.640 0.002 0.000 0.240 1232 D C 0.378 176.631 176.300 -0.077 0.000 1.142 1232 D CA 0.724 54.685 54.000 -0.065 0.000 0.872 1232 D CB -0.477 40.289 40.800 -0.057 0.000 1.173 1232 D HN 0.375 nan 8.370 nan 0.000 0.467 1233 N N -0.141 118.525 118.700 -0.056 0.000 2.735 1233 N HA -0.210 4.531 4.740 0.002 0.000 0.248 1233 N C -0.333 175.134 175.510 -0.071 0.000 1.083 1233 N CA 0.359 53.375 53.050 -0.057 0.000 0.703 1233 N CB -1.494 36.959 38.487 -0.057 0.000 1.005 1233 N HN 0.463 nan 8.380 nan 0.000 0.550 1234 C N 0.939 120.195 119.300 -0.074 0.000 2.632 1234 C HA 0.297 4.758 4.460 0.002 0.000 0.415 1234 C C -1.552 173.396 174.990 -0.070 0.000 1.332 1234 C CA -1.544 57.421 59.018 -0.087 0.000 1.874 1234 C CB -0.411 27.277 27.740 -0.086 0.000 2.596 1234 C HN 0.277 nan 8.230 nan 0.000 0.590 1235 P HA 0.084 nan 4.420 nan 0.000 0.264 1235 P C 0.667 177.929 177.300 -0.063 0.000 1.193 1235 P CA 0.399 63.461 63.100 -0.065 0.000 0.763 1235 P CB 0.407 32.066 31.700 -0.068 0.000 0.810 1236 E N 3.529 123.698 120.200 -0.052 0.000 2.097 1236 E HA -0.315 4.037 4.350 0.002 0.000 0.196 1236 E C 1.836 178.400 176.600 -0.060 0.000 1.000 1236 E CA 1.246 57.616 56.400 -0.050 0.000 0.804 1236 E CB 0.020 29.697 29.700 -0.039 0.000 0.740 1236 E HN 0.277 nan 8.360 nan 0.000 0.454 1237 R N -0.119 120.345 120.500 -0.060 0.000 2.091 1237 R HA -0.141 4.200 4.340 0.002 0.000 0.238 1237 R C 2.256 178.507 176.300 -0.082 0.000 1.136 1237 R CA 1.628 57.689 56.100 -0.064 0.000 0.959 1237 R CB -0.075 30.190 30.300 -0.057 0.000 0.856 1237 R HN 0.112 nan 8.270 nan 0.000 0.437 1238 V N -0.124 119.735 119.914 -0.092 0.000 2.379 1238 V HA -0.181 3.940 4.120 0.002 0.000 0.245 1238 V C 2.146 178.148 176.094 -0.153 0.000 1.044 1238 V CA 2.171 64.398 62.300 -0.121 0.000 1.036 1238 V CB -0.561 31.189 31.823 -0.122 0.000 0.664 1238 V HN 0.429 nan 8.190 nan 0.000 0.453 1239 T N 0.036 114.515 114.554 -0.125 0.000 2.699 1239 T HA -0.223 4.128 4.350 0.002 0.000 0.268 1239 T C 1.654 176.255 174.700 -0.165 0.000 1.036 1239 T CA 1.873 63.895 62.100 -0.130 0.000 1.147 1239 T CB -0.419 68.405 68.868 -0.072 0.000 0.862 1239 T HN 0.493 nan 8.240 nan 0.000 0.446 1240 D N 1.028 121.351 120.400 -0.129 0.000 2.117 1240 D HA -0.028 4.614 4.640 0.002 0.000 0.197 1240 D C 2.159 178.359 176.300 -0.166 0.000 0.987 1240 D CA 0.757 54.682 54.000 -0.125 0.000 0.829 1240 D CB -0.380 40.368 40.800 -0.086 0.000 0.961 1240 D HN 0.341 nan 8.370 nan 0.000 0.460 1241 L N 0.009 121.130 121.223 -0.171 0.000 2.017 1241 L HA -0.130 4.212 4.340 0.002 0.000 0.208 1241 L C 2.652 179.319 176.870 -0.339 0.000 1.073 1241 L CA 0.867 55.600 54.840 -0.178 0.000 0.745 1241 L CB -0.372 41.621 42.059 -0.110 0.000 0.894 1241 L HN 0.012 nan 8.230 nan 0.000 0.432 1242 M N -0.405 118.894 119.600 -0.502 0.000 2.149 1242 M HA -0.242 4.239 4.480 0.002 0.000 0.261 1242 M C 2.951 178.673 176.300 -0.963 0.000 1.064 1242 M CA 2.191 56.889 55.300 -1.004 0.000 1.102 1242 M CB -0.591 31.338 32.600 -1.117 0.000 1.369 1242 M HN 0.319 nan 8.290 nan 0.000 0.408 1243 R N 0.464 120.654 120.500 -0.517 0.000 2.096 1243 R HA -0.090 4.251 4.340 0.002 0.000 0.235 1243 R C 1.657 177.790 176.300 -0.278 0.000 1.127 1243 R CA 2.083 57.976 56.100 -0.345 0.000 0.968 1243 R CB -1.523 28.654 30.300 -0.204 0.000 0.861 1243 R HN 0.466 nan 8.270 nan 0.000 0.440 1244 M N -0.186 119.262 119.600 -0.254 0.000 2.132 1244 M HA -0.113 4.369 4.480 0.002 0.000 0.263 1244 M C 2.606 178.800 176.300 -0.176 0.000 1.065 1244 M CA 1.617 56.816 55.300 -0.167 0.000 1.122 1244 M CB -0.275 32.243 32.600 -0.136 0.000 1.365 1244 M HN 0.455 nan 8.290 nan 0.000 0.411 1245 C N -0.983 118.126 119.300 -0.319 0.000 2.435 1245 C HA -0.114 4.347 4.460 0.002 0.000 0.279 1245 C C 1.696 176.562 174.990 -0.207 0.000 1.321 1245 C CA 0.142 58.985 59.018 -0.292 0.000 1.752 1245 C CB -1.004 26.462 27.740 -0.457 0.000 1.959 1245 C HN 0.655 nan 8.230 nan 0.000 0.500 1246 W N 1.372 122.425 121.300 -0.410 0.000 3.400 1246 W HA 0.287 4.949 4.660 0.002 0.000 0.347 1246 W C 0.615 177.103 176.519 -0.053 0.000 1.218 1246 W CA -0.760 56.213 57.345 -0.620 0.000 1.837 1246 W CB -1.361 27.578 29.460 -0.869 0.000 1.067 1246 W HN 0.506 nan 8.180 nan 0.000 0.701 1247 Q N 0.073 120.005 119.800 0.220 0.000 2.364 1247 Q HA -0.028 4.313 4.340 0.002 0.000 0.267 1247 Q C 1.096 177.333 176.000 0.395 0.000 0.999 1247 Q CA -0.146 55.808 55.803 0.252 0.000 0.886 1247 Q CB 0.746 29.571 28.738 0.144 0.000 1.243 1247 Q HN 0.055 nan 8.270 nan 0.000 0.415 1248 F N 2.035 122.128 119.950 0.240 0.000 2.134 1248 F HA -0.147 4.381 4.527 0.002 0.000 0.299 1248 F C 1.097 176.964 175.800 0.113 0.000 1.097 1248 F CA 0.993 59.105 58.000 0.186 0.000 1.264 1248 F CB 0.222 39.291 39.000 0.114 0.000 1.001 1248 F HN 0.534 nan 8.300 nan 0.000 0.479 1249 N N 1.839 120.681 118.700 0.238 0.000 2.405 1249 N HA 0.065 4.806 4.740 0.002 0.000 0.260 1249 N C -1.767 173.781 175.510 0.063 0.000 1.152 1249 N CA -2.158 50.965 53.050 0.122 0.000 0.948 1249 N CB 0.869 39.441 38.487 0.142 0.000 1.111 1249 N HN 0.027 nan 8.380 nan 0.000 0.485 1250 P HA -0.173 nan 4.420 nan 0.000 0.217 1250 P C 0.426 177.746 177.300 0.033 0.000 1.148 1250 P CA 1.404 64.515 63.100 0.019 0.000 0.828 1250 P CB 0.389 32.073 31.700 -0.026 0.000 0.783 1251 K N -1.151 119.267 120.400 0.030 0.000 2.362 1251 K HA 0.040 4.362 4.320 0.002 0.000 0.200 1251 K C 1.848 178.466 176.600 0.030 0.000 1.046 1251 K CA 0.803 57.107 56.287 0.028 0.000 0.952 1251 K CB -0.217 32.299 32.500 0.028 0.000 0.753 1251 K HN 0.139 nan 8.250 nan 0.000 0.466 1252 M N 0.472 120.098 119.600 0.042 0.000 2.441 1252 M HA 0.070 4.551 4.480 0.002 0.000 0.244 1252 M C 0.285 176.600 176.300 0.024 0.000 1.122 1252 M CA 0.499 55.822 55.300 0.038 0.000 1.041 1252 M CB -0.100 32.533 32.600 0.055 0.000 1.438 1252 M HN -0.039 nan 8.290 nan 0.000 0.484 1253 R N 1.800 122.315 120.500 0.026 0.000 2.641 1253 R HA 0.242 4.584 4.340 0.002 0.000 0.269 1253 R C -2.019 174.255 176.300 -0.044 0.000 1.074 1253 R CA -1.232 54.868 56.100 -0.001 0.000 1.133 1253 R CB -0.203 30.114 30.300 0.029 0.000 1.029 1253 R HN 0.074 nan 8.270 nan 0.000 0.488 1254 P HA 0.029 nan 4.420 nan 0.000 0.275 1254 P C -0.479 176.714 177.300 -0.178 0.000 1.266 1254 P CA -0.321 62.715 63.100 -0.106 0.000 0.793 1254 P CB 0.663 32.294 31.700 -0.114 0.000 1.074 1255 T N -3.200 111.268 114.554 -0.143 0.000 2.944 1255 T HA 0.345 4.696 4.350 0.002 0.000 0.284 1255 T C 1.038 175.615 174.700 -0.205 0.000 1.010 1255 T CA -0.426 61.581 62.100 -0.156 0.000 1.025 1255 T CB 0.222 69.088 68.868 -0.003 0.000 1.079 1255 T HN 0.092 nan 8.240 nan 0.000 0.516 1256 F N 0.051 119.983 119.950 -0.030 0.000 2.171 1256 F HA 0.102 4.630 4.527 0.002 0.000 0.300 1256 F C 2.221 178.032 175.800 0.019 0.000 1.090 1256 F CA 0.901 58.849 58.000 -0.085 0.000 1.293 1256 F CB -0.744 38.211 39.000 -0.076 0.000 1.013 1256 F HN 0.423 nan 8.300 nan 0.000 0.486 1257 L N -0.406 120.987 121.223 0.283 0.000 2.083 1257 L HA -0.201 4.141 4.340 0.002 0.000 0.209 1257 L C 2.250 179.282 176.870 0.269 0.000 1.083 1257 L CA 1.387 56.437 54.840 0.351 0.000 0.752 1257 L CB -0.596 41.640 42.059 0.295 0.000 0.899 1257 L HN 0.164 nan 8.230 nan 0.000 0.433 1258 E N -0.074 120.204 120.200 0.130 0.000 2.150 1258 E HA -0.199 4.152 4.350 0.002 0.000 0.193 1258 E C 2.216 178.824 176.600 0.013 0.000 0.985 1258 E CA 0.836 57.278 56.400 0.070 0.000 0.814 1258 E CB 0.113 29.823 29.700 0.016 0.000 0.752 1258 E HN 0.364 nan 8.360 nan 0.000 0.466 1259 I N 0.676 121.230 120.570 -0.027 0.000 2.202 1259 I HA -0.199 3.973 4.170 0.002 0.000 0.242 1259 I C 2.403 178.475 176.117 -0.074 0.000 1.091 1259 I CA 0.991 62.257 61.300 -0.056 0.000 1.368 1259 I CB -0.984 36.939 38.000 -0.127 0.000 1.058 1259 I HN 0.014 nan 8.210 nan 0.000 0.410 1260 V N 1.431 121.291 119.914 -0.090 0.000 2.332 1260 V HA -0.294 3.828 4.120 0.002 0.000 0.248 1260 V C 2.301 178.102 176.094 -0.488 0.000 1.055 1260 V CA 2.214 64.339 62.300 -0.291 0.000 1.038 1260 V CB -1.141 30.475 31.823 -0.345 0.000 0.651 1260 V HN 0.436 nan 8.190 nan 0.000 0.450 1261 N N 0.216 118.727 118.700 -0.315 0.000 2.120 1261 N HA -0.147 4.595 4.740 0.002 0.000 0.188 1261 N C 1.663 177.116 175.510 -0.096 0.000 1.024 1261 N CA 1.404 54.368 53.050 -0.143 0.000 0.852 1261 N CB -0.292 38.294 38.487 0.165 0.000 1.003 1261 N HN 0.450 nan 8.380 nan 0.000 0.424 1262 L N -0.238 120.940 121.223 -0.076 0.000 2.191 1262 L HA -0.091 4.251 4.340 0.002 0.000 0.212 1262 L C 1.476 178.296 176.870 -0.084 0.000 1.103 1262 L CA 0.812 55.617 54.840 -0.059 0.000 0.769 1262 L CB -0.152 41.880 42.059 -0.046 0.000 0.908 1262 L HN 0.302 nan 8.230 nan 0.000 0.438 1263 L N -0.967 120.175 121.223 -0.136 0.000 2.616 1263 L HA 0.025 4.367 4.340 0.002 0.000 0.229 1263 L C 2.308 179.053 176.870 -0.209 0.000 1.110 1263 L CA -0.012 54.733 54.840 -0.158 0.000 0.884 1263 L CB -0.277 41.681 42.059 -0.168 0.000 1.115 1263 L HN 0.221 nan 8.230 nan 0.000 0.481 1264 K N -0.036 120.224 120.400 -0.232 0.000 2.218 1264 K HA -0.201 4.121 4.320 0.002 0.000 0.205 1264 K C 0.735 177.290 176.600 -0.074 0.000 1.046 1264 K CA 1.778 57.951 56.287 -0.190 0.000 0.933 1264 K CB -0.200 32.215 32.500 -0.143 0.000 0.728 1264 K HN 0.192 nan 8.250 nan 0.000 0.454 1265 D N 0.728 121.095 120.400 -0.054 0.000 2.349 1265 D HA -0.044 4.597 4.640 0.002 0.000 0.224 1265 D C 0.053 176.327 176.300 -0.044 0.000 1.029 1265 D CA 0.751 54.736 54.000 -0.025 0.000 0.879 1265 D CB 0.182 40.975 40.800 -0.011 0.000 0.906 1265 D HN 0.253 nan 8.370 nan 0.000 0.528 1266 D N 0.307 120.662 120.400 -0.075 0.000 2.945 1266 D HA 0.230 4.871 4.640 0.002 0.000 0.366 1266 D C -0.472 175.775 176.300 -0.088 0.000 1.352 1266 D CA -0.145 53.814 54.000 -0.068 0.000 0.810 1266 D CB 0.158 40.922 40.800 -0.060 0.000 1.170 1266 D HN 0.039 nan 8.370 nan 0.000 0.461 1267 L N -0.256 120.907 121.223 -0.101 0.000 2.279 1267 L HA 0.397 4.738 4.340 0.002 0.000 0.262 1267 L C 0.667 177.543 176.870 0.010 0.000 1.019 1267 L CA -1.149 53.627 54.840 -0.106 0.000 0.823 1267 L CB 1.872 43.735 42.059 -0.326 0.000 1.358 1267 L HN 0.103 nan 8.230 nan 0.000 0.432 1268 H N 1.459 120.533 119.070 0.007 0.000 2.972 1268 H HA 0.009 4.567 4.556 0.003 0.000 0.343 1268 H C -1.892 173.486 175.328 0.083 0.000 1.054 1268 H CA -0.734 55.350 56.048 0.060 0.000 1.412 1268 H CB 1.681 31.503 29.762 0.101 0.000 1.385 1268 H HN 0.279 nan 8.280 nan 0.000 0.600 1269 P HA -0.177 nan 4.420 nan 0.000 0.218 1269 P C 1.429 178.745 177.300 0.027 0.000 1.146 1269 P CA 1.974 64.983 63.100 -0.151 0.000 0.813 1269 P CB 0.137 31.682 31.700 -0.258 0.000 0.778 1270 S N -2.259 113.579 115.700 0.231 0.000 2.489 1270 S HA -0.119 4.353 4.470 0.002 0.000 0.228 1270 S C 1.784 176.482 174.600 0.163 0.000 0.995 1270 S CA 0.127 58.457 58.200 0.217 0.000 0.934 1270 S CB -1.616 61.760 63.200 0.293 0.000 0.771 1270 S HN 0.027 nan 8.310 nan 0.000 0.522 1271 F N 3.932 123.945 119.950 0.104 0.000 2.063 1271 F HA -0.020 4.508 4.527 0.002 0.000 0.298 1271 F C -1.083 174.735 175.800 0.030 0.000 1.109 1271 F CA 1.440 59.501 58.000 0.101 0.000 1.212 1271 F CB -1.222 37.852 39.000 0.123 0.000 0.973 1271 F HN 0.227 nan 8.300 nan 0.000 0.480 1272 P HA -0.140 nan 4.420 nan 0.000 0.222 1272 P C 0.890 178.102 177.300 -0.147 0.000 1.147 1272 P CA 1.662 64.526 63.100 -0.393 0.000 0.790 1272 P CB -0.102 31.293 31.700 -0.510 0.000 0.780 1273 E N -0.846 119.288 120.200 -0.109 0.000 2.285 1273 E HA -0.045 4.306 4.350 0.002 0.000 0.194 1273 E C 1.425 177.937 176.600 -0.146 0.000 0.997 1273 E CA 1.086 57.429 56.400 -0.095 0.000 0.845 1273 E CB -0.007 29.651 29.700 -0.071 0.000 0.782 1273 E HN 0.245 nan 8.360 nan 0.000 0.491 1274 V N -2.101 117.672 119.914 -0.234 0.000 3.548 1274 V HA 0.157 4.278 4.120 0.002 0.000 0.279 1274 V C 0.739 176.657 176.094 -0.294 0.000 1.446 1274 V CA -0.214 61.873 62.300 -0.356 0.000 1.023 1274 V CB 0.467 31.821 31.823 -0.781 0.000 0.820 1274 V HN 0.078 nan 8.190 nan 0.000 0.438 1275 S N 0.089 115.628 115.700 -0.268 0.000 2.592 1275 S HA 0.388 4.860 4.470 0.002 0.000 0.271 1275 S C 0.638 175.292 174.600 0.090 0.000 1.326 1275 S CA 0.088 58.192 58.200 -0.160 0.000 1.024 1275 S CB 1.084 64.009 63.200 -0.458 0.000 0.921 1275 S HN 0.449 nan 8.310 nan 0.000 0.527 1276 F N 2.395 122.402 119.950 0.095 0.000 2.206 1276 F HA 0.046 4.574 4.527 0.002 0.000 0.298 1276 F C 1.608 177.512 175.800 0.174 0.000 1.090 1276 F CA 0.747 58.835 58.000 0.148 0.000 1.323 1276 F CB -0.624 38.516 39.000 0.233 0.000 1.028 1276 F HN 0.742 nan 8.300 nan 0.000 0.492 1277 F N 1.008 120.890 119.950 -0.113 0.000 2.091 1277 F HA -0.257 4.272 4.527 0.003 0.000 0.299 1277 F C 2.128 177.720 175.800 -0.346 0.000 1.103 1277 F CA 2.423 60.273 58.000 -0.250 0.000 1.228 1277 F CB -0.770 38.195 39.000 -0.058 0.000 0.984 1277 F HN 0.087 nan 8.300 nan 0.000 0.477 1278 H N -0.798 118.353 119.070 0.135 0.000 2.539 1278 H HA 0.176 4.733 4.556 0.002 0.000 0.267 1278 H C 1.136 176.411 175.328 -0.088 0.000 0.982 1278 H CA 0.360 56.432 56.048 0.040 0.000 1.146 1278 H CB -0.257 29.598 29.762 0.156 0.000 1.382 1278 H HN 0.159 nan 8.280 nan 0.000 0.577 1279 S N 0.023 115.683 115.700 -0.067 0.000 2.603 1279 S HA 0.223 4.695 4.470 0.002 0.000 0.268 1279 S C 1.683 176.209 174.600 -0.124 0.000 1.317 1279 S CA -0.060 58.097 58.200 -0.071 0.000 1.012 1279 S CB 1.406 64.588 63.200 -0.030 0.000 0.926 1279 S HN 0.514 nan 8.310 nan 0.000 0.539 1280 E N 0.358 120.527 120.200 -0.053 0.000 2.204 1280 E HA -0.141 4.210 4.350 0.002 0.000 0.195 1280 E C 1.724 178.297 176.600 -0.044 0.000 0.990 1280 E CA 1.510 57.882 56.400 -0.047 0.000 0.821 1280 E CB -1.007 28.687 29.700 -0.010 0.000 0.750 1280 E HN 0.938 nan 8.360 nan 0.000 0.477 1281 E N 0.379 120.575 120.200 -0.007 0.000 2.204 1281 E HA -0.153 4.199 4.350 0.002 0.000 0.195 1281 E C 0.788 177.395 176.600 0.011 0.000 0.990 1281 E CA 0.589 57.040 56.400 0.085 0.000 0.821 1281 E CB -0.111 29.755 29.700 0.276 0.000 0.750 1281 E HN 0.394 nan 8.360 nan 0.000 0.477 1282 N N 0.742 119.249 118.700 -0.322 0.000 2.671 1282 N HA 0.057 4.798 4.740 0.002 0.000 0.274 1282 N C -0.928 174.449 175.510 -0.222 0.000 1.188 1282 N CA 0.312 53.063 53.050 -0.498 0.000 1.065 1282 N CB 0.144 38.069 38.487 -0.937 0.000 1.415 1282 N HN 0.137 nan 8.380 nan 0.000 0.511 1283 K N 0.000 120.358 120.400 -0.069 0.000 2.780 1283 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1283 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 1283 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543