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 3d94_1_A DATA FIRST_RESID 956 DATA SEQUENCE VYVPDEWEVA REKITMSREL GQGSFGMVYE GVAKGVVKDE PETRVAIKTV DATA SEQUENCE NEAASMRERI EFLNEASVMK EFNCHHVVRL LGVVSQGQPT LVIMELMTRG DATA SEQUENCE DLKSYLRSLR XXXXXXXXXX XPSLSKMIQM AGEIADGMAY LNANKFVHRD DATA SEQUENCE LAARNCXVAE DFTVKIGDFG MTRDIYETDY YRKGGKGLLP VRWMSPESLK DATA SEQUENCE DGVFTTYSDV WSFGVVLWEI ATLAEQPYQG LSNEQVLRFV MEGGLLDKPD DATA SEQUENCE NCPDMLLELM RMCWQYNPKM RPSFLEIISS IKEEMEPGFR EVSFYYSEEN 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 956 V HA 0.000 nan 4.120 nan 0.000 0.244 956 V C 0.000 176.148 176.094 0.089 0.000 1.182 956 V CA 0.000 62.334 62.300 0.057 0.000 1.235 956 V CB 0.000 31.838 31.823 0.025 0.000 1.184 957 Y N 3.658 123.945 120.300 -0.022 0.000 2.352 957 Y HA 0.817 5.371 4.550 0.006 0.000 0.339 957 Y C -0.457 175.430 175.900 -0.022 0.000 0.992 957 Y CA -0.887 57.194 58.100 -0.032 0.000 1.100 957 Y CB 2.134 40.567 38.460 -0.044 0.000 1.192 957 Y HN 0.636 nan 8.280 nan 0.000 0.458 958 V N 8.717 128.218 119.914 -0.689 0.000 2.328 958 V HA 0.332 4.455 4.120 0.005 0.000 0.278 958 V C -2.135 173.541 176.094 -0.697 0.000 1.021 958 V CA -2.003 60.005 62.300 -0.487 0.000 0.838 958 V CB 0.821 32.473 31.823 -0.286 0.000 0.999 958 V HN 0.744 nan 8.190 nan 0.000 0.447 959 P HA 0.230 nan 4.420 nan 0.000 0.267 959 P C -0.877 176.388 177.300 -0.059 0.000 1.200 959 P CA 0.116 63.190 63.100 -0.045 0.000 0.772 959 P CB 0.631 32.377 31.700 0.077 0.000 0.855 960 D N -0.308 120.115 120.400 0.039 0.000 3.158 960 D HA 0.064 4.707 4.640 0.005 0.000 0.314 960 D C 0.801 177.147 176.300 0.076 0.000 1.308 960 D CA -0.513 53.517 54.000 0.048 0.000 1.001 960 D CB -0.254 40.584 40.800 0.064 0.000 1.389 960 D HN 0.298 nan 8.370 nan 0.000 0.595 961 E N -0.196 120.030 120.200 0.042 0.000 2.338 961 E HA -0.128 4.225 4.350 0.005 0.000 0.197 961 E C 0.918 177.439 176.600 -0.132 0.000 1.007 961 E CA 0.690 57.042 56.400 -0.080 0.000 0.849 961 E CB -0.481 29.111 29.700 -0.181 0.000 0.774 961 E HN 0.581 nan 8.360 nan 0.000 0.506 962 W N 1.711 123.010 121.300 -0.002 0.000 3.047 962 W HA 0.141 4.803 4.660 0.004 0.000 0.250 962 W C 0.722 177.246 176.519 0.008 0.000 1.314 962 W CA -0.267 57.078 57.345 0.000 0.000 1.540 962 W CB 0.095 29.555 29.460 0.000 0.000 1.127 962 W HN -0.030 nan 8.180 nan 0.000 0.679 963 E N 0.806 121.119 120.200 0.190 0.000 2.376 963 E HA 0.181 4.534 4.350 0.005 0.000 0.266 963 E C -0.624 176.017 176.600 0.068 0.000 1.009 963 E CA 0.157 56.633 56.400 0.126 0.000 0.902 963 E CB 0.586 30.350 29.700 0.107 0.000 0.972 963 E HN -0.217 nan 8.360 nan 0.000 0.439 964 V N 3.811 123.760 119.914 0.059 0.000 2.495 964 V HA 0.599 4.722 4.120 0.005 0.000 0.298 964 V C 0.039 176.147 176.094 0.024 0.000 1.031 964 V CA -0.852 61.468 62.300 0.033 0.000 0.871 964 V CB 1.584 33.429 31.823 0.036 0.000 0.988 964 V HN 0.887 nan 8.190 nan 0.000 0.432 965 A N 3.949 126.776 122.820 0.013 0.000 2.488 965 A HA 0.269 4.592 4.320 0.005 0.000 0.249 965 A C 1.365 178.952 177.584 0.005 0.000 1.083 965 A CA 0.005 52.047 52.037 0.008 0.000 0.768 965 A CB -0.105 18.897 19.000 0.003 0.000 1.017 965 A HN 0.954 nan 8.150 nan 0.000 0.496 966 R N 0.807 121.309 120.500 0.003 0.000 2.152 966 R HA -0.168 4.175 4.340 0.005 0.000 0.232 966 R C 1.107 177.403 176.300 -0.007 0.000 1.117 966 R CA 2.036 58.135 56.100 -0.002 0.000 0.981 966 R CB -0.060 30.237 30.300 -0.005 0.000 0.870 966 R HN 0.894 nan 8.270 nan 0.000 0.451 967 E N 0.218 120.415 120.200 -0.006 0.000 2.265 967 E HA -0.145 4.208 4.350 0.005 0.000 0.196 967 E C 1.353 177.948 176.600 -0.007 0.000 0.996 967 E CA 1.061 57.456 56.400 -0.008 0.000 0.832 967 E CB 0.040 29.736 29.700 -0.007 0.000 0.756 967 E HN 0.278 nan 8.360 nan 0.000 0.491 968 K N -0.031 120.366 120.400 -0.005 0.000 2.486 968 K HA 0.036 4.359 4.320 0.005 0.000 0.194 968 K C -0.085 176.514 176.600 -0.002 0.000 1.033 968 K CA 0.275 56.560 56.287 -0.003 0.000 1.004 968 K CB 0.368 32.867 32.500 -0.001 0.000 0.798 968 K HN 0.070 nan 8.250 nan 0.000 0.495 969 I N 1.656 122.223 120.570 -0.005 0.000 2.404 969 I HA 0.121 4.294 4.170 0.005 0.000 0.293 969 I C 0.331 176.438 176.117 -0.017 0.000 0.992 969 I CA -0.460 60.835 61.300 -0.007 0.000 1.149 969 I CB 1.313 39.309 38.000 -0.007 0.000 1.315 969 I HN -0.030 nan 8.210 nan 0.000 0.446 970 T N 4.095 118.640 114.554 -0.015 0.000 2.907 970 T HA 0.807 5.160 4.350 0.005 0.000 0.292 970 T C -0.444 174.241 174.700 -0.025 0.000 1.043 970 T CA -0.848 61.238 62.100 -0.025 0.000 1.003 970 T CB 2.325 71.183 68.868 -0.016 0.000 1.084 970 T HN 0.408 nan 8.240 nan 0.000 0.483 971 M N 2.276 121.845 119.600 -0.051 0.000 2.465 971 M HA 0.507 4.990 4.480 0.005 0.000 0.316 971 M C 0.360 176.650 176.300 -0.016 0.000 1.121 971 M CA -0.706 54.564 55.300 -0.051 0.000 0.934 971 M CB 2.632 35.106 32.600 -0.209 0.000 1.692 971 M HN 1.056 nan 8.290 nan 0.000 0.444 972 S N 2.029 117.764 115.700 0.058 0.000 3.541 972 S HA 0.478 4.952 4.470 0.005 0.000 0.180 972 S C 0.180 174.878 174.600 0.164 0.000 0.887 972 S CA -0.760 57.485 58.200 0.076 0.000 1.264 972 S CB -0.017 63.215 63.200 0.052 0.000 0.873 972 S HN 0.762 nan 8.310 nan 0.000 0.809 973 R N 1.663 122.244 120.500 0.135 0.000 2.531 973 R HA 0.445 4.788 4.340 0.005 0.000 0.273 973 R C -0.827 175.541 176.300 0.115 0.000 1.070 973 R CA -0.459 55.714 56.100 0.121 0.000 1.112 973 R CB 0.292 30.626 30.300 0.057 0.000 1.049 973 R HN 0.478 nan 8.270 nan 0.000 0.508 974 E N 1.893 122.101 120.200 0.012 0.000 2.384 974 E HA -0.017 4.336 4.350 0.005 0.000 0.266 974 E C 0.236 176.749 176.600 -0.146 0.000 1.012 974 E CA 0.039 56.302 56.400 -0.227 0.000 0.901 974 E CB 0.796 30.369 29.700 -0.211 0.000 0.967 974 E HN 0.562 nan 8.360 nan 0.000 0.435 975 L N 1.764 122.873 121.223 -0.189 0.000 2.731 975 L HA 0.305 4.649 4.340 0.005 0.000 0.240 975 L C 0.762 177.571 176.870 -0.101 0.000 1.120 975 L CA 0.013 54.792 54.840 -0.102 0.000 0.913 975 L CB 0.393 42.413 42.059 -0.064 0.000 1.213 975 L HN 0.751 nan 8.230 nan 0.000 0.515 976 G N 0.703 109.414 108.800 -0.149 0.000 2.465 976 G HA2 -0.092 3.871 3.960 0.005 0.000 0.681 976 G HA3 -0.092 3.871 3.960 0.005 0.000 0.681 976 G C -1.242 173.586 174.900 -0.119 0.000 1.340 976 G CA -0.896 44.137 45.100 -0.111 0.000 0.884 976 G HN -0.022 nan 8.290 nan 0.000 0.650 977 Q N 0.550 120.295 119.800 -0.093 0.000 2.323 977 Q HA 0.574 4.917 4.340 0.005 0.000 0.257 977 Q C 0.927 176.894 176.000 -0.054 0.000 1.022 977 Q CA 0.969 56.725 55.803 -0.078 0.000 0.919 977 Q CB 0.529 29.227 28.738 -0.066 0.000 1.220 977 Q HN 1.201 nan 8.270 nan 0.000 0.427 978 G N 1.949 110.725 108.800 -0.039 0.000 2.641 978 G HA2 0.378 4.342 3.960 0.005 0.000 0.239 978 G HA3 0.378 4.342 3.960 0.005 0.000 0.239 978 G C -0.655 174.234 174.900 -0.017 0.000 1.402 978 G CA -0.277 44.811 45.100 -0.020 0.000 1.046 978 G HN 0.787 nan 8.290 nan 0.000 0.565 979 S N -1.797 113.906 115.700 0.005 0.000 2.572 979 S HA 0.276 4.749 4.470 0.005 0.000 0.279 979 S C 0.478 175.157 174.600 0.133 0.000 1.341 979 S CA 0.449 58.636 58.200 -0.021 0.000 1.043 979 S CB 0.267 63.471 63.200 0.006 0.000 0.887 979 S HN 1.022 nan 8.310 nan 0.000 0.516 980 F N 0.461 120.399 119.950 -0.019 0.000 2.700 980 F HA -0.184 4.346 4.527 0.005 0.000 0.511 980 F C 1.203 176.865 175.800 -0.230 0.000 0.534 980 F CA 1.900 59.833 58.000 -0.113 0.000 0.872 980 F CB -1.656 37.272 39.000 -0.120 0.000 1.625 980 F HN 1.324 nan 8.300 nan 0.000 0.264 981 G N -1.235 107.557 108.800 -0.013 0.000 2.345 981 G HA2 0.410 4.373 3.960 0.005 0.000 0.285 981 G HA3 0.410 4.373 3.960 0.005 0.000 0.285 981 G C -1.403 173.473 174.900 -0.040 0.000 1.297 981 G CA -0.569 44.497 45.100 -0.057 0.000 0.875 981 G HN 0.185 nan 8.290 nan 0.000 0.506 982 M N 0.739 120.313 119.600 -0.044 0.000 2.239 982 M HA 0.546 5.029 4.480 0.005 0.000 0.348 982 M C 0.015 176.241 176.300 -0.123 0.000 1.239 982 M CA -0.108 55.114 55.300 -0.130 0.000 1.114 982 M CB 0.974 33.463 32.600 -0.184 0.000 1.641 982 M HN 0.485 nan 8.290 nan 0.000 0.453 983 V N 6.465 126.243 119.914 -0.226 0.000 2.483 983 V HA 0.463 4.586 4.120 0.005 0.000 0.295 983 V C -1.021 174.877 176.094 -0.327 0.000 1.035 983 V CA -0.626 61.599 62.300 -0.125 0.000 0.896 983 V CB 1.067 32.861 31.823 -0.048 0.000 0.986 983 V HN 0.744 nan 8.190 nan 0.000 0.447 984 Y N 0.972 121.279 120.300 0.012 0.000 2.499 984 Y HA 0.472 5.024 4.550 0.003 0.000 0.347 984 Y C 0.294 176.199 175.900 0.008 0.000 0.987 984 Y CA -0.880 57.225 58.100 0.008 0.000 1.044 984 Y CB 1.617 40.081 38.460 0.007 0.000 1.245 984 Y HN 0.669 nan 8.280 nan 0.000 0.461 985 E N 0.870 121.162 120.200 0.152 0.000 2.383 985 E HA 0.548 4.902 4.350 0.005 0.000 0.264 985 E C -0.167 176.496 176.600 0.106 0.000 1.050 985 E CA 0.026 56.484 56.400 0.097 0.000 0.896 985 E CB 0.684 30.420 29.700 0.060 0.000 0.982 985 E HN 0.887 nan 8.360 nan 0.000 0.424 986 G N 1.096 109.937 108.800 0.068 0.000 2.619 986 G HA2 0.461 4.425 3.960 0.005 0.000 0.305 986 G HA3 0.461 4.425 3.960 0.005 0.000 0.305 986 G C -1.586 173.332 174.900 0.029 0.000 1.330 986 G CA -0.561 44.566 45.100 0.045 0.000 0.789 986 G HN 0.464 nan 8.290 nan 0.000 0.487 987 V N 0.051 119.976 119.914 0.018 0.000 2.588 987 V HA 0.793 4.916 4.120 0.005 0.000 0.304 987 V C 0.037 176.137 176.094 0.011 0.000 1.042 987 V CA -0.436 61.872 62.300 0.013 0.000 0.877 987 V CB 1.352 33.180 31.823 0.008 0.000 0.996 987 V HN 1.438 nan 8.190 nan 0.000 0.425 988 A N 4.242 127.069 122.820 0.012 0.000 2.343 988 A HA 0.757 5.080 4.320 0.005 0.000 0.316 988 A C -0.473 177.115 177.584 0.006 0.000 1.104 988 A CA -0.773 51.270 52.037 0.011 0.000 0.768 988 A CB 1.049 20.060 19.000 0.019 0.000 1.213 988 A HN 0.781 nan 8.150 nan 0.000 0.456 989 K N 0.947 121.348 120.400 0.002 0.000 2.234 989 K HA 0.486 4.810 4.320 0.005 0.000 0.282 989 K C 0.839 177.436 176.600 -0.006 0.000 1.039 989 K CA 0.638 56.923 56.287 -0.003 0.000 0.928 989 K CB 1.112 33.609 32.500 -0.005 0.000 1.039 989 K HN 1.533 nan 8.250 nan 0.000 0.470 990 G N 1.474 110.268 108.800 -0.010 0.000 2.246 990 G HA2 -0.229 3.734 3.960 0.005 0.000 0.273 990 G HA3 -0.229 3.734 3.960 0.005 0.000 0.273 990 G C 0.436 175.322 174.900 -0.024 0.000 1.055 990 G CA 0.407 45.495 45.100 -0.019 0.000 0.851 990 G HN 0.519 nan 8.290 nan 0.000 0.500 991 V N -4.226 115.679 119.914 -0.014 0.000 3.379 991 V HA 0.559 4.682 4.120 0.005 0.000 0.249 991 V C 1.060 177.144 176.094 -0.017 0.000 1.184 991 V CA 0.770 63.063 62.300 -0.011 0.000 1.106 991 V CB 0.557 32.390 31.823 0.018 0.000 0.826 991 V HN 0.496 nan 8.190 nan 0.000 0.465 992 V N 1.268 121.174 119.914 -0.013 0.000 2.581 992 V HA 0.490 4.613 4.120 0.005 0.000 0.303 992 V C 0.012 176.093 176.094 -0.021 0.000 1.041 992 V CA -1.074 61.218 62.300 -0.013 0.000 0.907 992 V CB 1.682 33.505 31.823 0.000 0.000 0.994 992 V HN 0.368 nan 8.190 nan 0.000 0.442 993 K N 3.377 123.762 120.400 -0.025 0.000 2.491 993 K HA 0.007 4.331 4.320 0.005 0.000 0.279 993 K C 0.130 176.720 176.600 -0.017 0.000 1.026 993 K CA 0.904 57.176 56.287 -0.026 0.000 1.070 993 K CB -0.386 32.099 32.500 -0.025 0.000 0.887 993 K HN 0.749 nan 8.250 nan 0.000 0.481 994 D N 2.644 123.033 120.400 -0.018 0.000 2.775 994 D HA -0.186 4.457 4.640 0.005 0.000 0.235 994 D C -1.102 175.193 176.300 -0.009 0.000 1.120 994 D CA 1.372 55.364 54.000 -0.013 0.000 0.708 994 D CB -1.236 39.558 40.800 -0.011 0.000 1.084 994 D HN 0.808 nan 8.370 nan 0.000 0.434 995 E N -1.795 118.399 120.200 -0.010 0.000 2.343 995 E HA 0.340 4.693 4.350 0.005 0.000 0.288 995 E C -2.413 174.182 176.600 -0.008 0.000 0.907 995 E CA -1.507 54.889 56.400 -0.007 0.000 0.792 995 E CB 1.929 31.627 29.700 -0.004 0.000 1.275 995 E HN -0.273 nan 8.360 nan 0.000 0.402 996 P HA -0.244 nan 4.420 nan 0.000 0.217 996 P C -0.278 177.019 177.300 -0.006 0.000 1.151 996 P CA 1.618 64.714 63.100 -0.007 0.000 0.849 996 P CB 0.123 31.820 31.700 -0.006 0.000 0.787 997 E N -2.823 117.375 120.200 -0.003 0.000 2.392 997 E HA 0.550 4.903 4.350 0.005 0.000 0.279 997 E C -1.441 175.160 176.600 0.002 0.000 0.964 997 E CA -0.938 55.462 56.400 -0.001 0.000 0.777 997 E CB 1.434 31.134 29.700 0.000 0.000 1.249 997 E HN -0.315 nan 8.360 nan 0.000 0.449 998 T N 1.209 115.766 114.554 0.005 0.000 2.881 998 T HA 0.401 4.754 4.350 0.005 0.000 0.290 998 T C -0.452 174.254 174.700 0.010 0.000 1.000 998 T CA -0.889 61.215 62.100 0.007 0.000 0.978 998 T CB 1.158 70.032 68.868 0.010 0.000 0.997 998 T HN 0.352 nan 8.240 nan 0.000 0.443 999 R N 1.659 122.165 120.500 0.009 0.000 2.522 999 R HA 0.453 4.796 4.340 0.005 0.000 0.284 999 R C 0.166 176.475 176.300 0.015 0.000 1.032 999 R CA -0.271 55.836 56.100 0.012 0.000 1.049 999 R CB 0.199 30.504 30.300 0.007 0.000 0.956 999 R HN 0.531 nan 8.270 nan 0.000 0.422 1000 V N -1.037 118.890 119.914 0.023 0.000 3.130 1000 V HA 0.844 4.967 4.120 0.005 0.000 0.310 1000 V C -0.560 175.557 176.094 0.037 0.000 1.158 1000 V CA -1.378 60.939 62.300 0.028 0.000 1.029 1000 V CB 2.061 33.904 31.823 0.033 0.000 1.057 1000 V HN 0.780 nan 8.190 nan 0.000 0.436 1001 A N 2.503 125.346 122.820 0.038 0.000 2.276 1001 A HA 0.884 5.207 4.320 0.005 0.000 0.316 1001 A C -0.544 177.083 177.584 0.071 0.000 1.229 1001 A CA -0.534 51.533 52.037 0.051 0.000 0.851 1001 A CB 0.203 19.223 19.000 0.032 0.000 1.165 1001 A HN 0.869 nan 8.150 nan 0.000 0.513 1002 I N 2.455 123.093 120.570 0.112 0.000 2.382 1002 I HA 0.289 4.463 4.170 0.005 0.000 0.285 1002 I C 0.177 176.413 176.117 0.197 0.000 1.007 1002 I CA -0.338 61.044 61.300 0.136 0.000 1.142 1002 I CB 1.687 39.758 38.000 0.118 0.000 1.289 1002 I HN 0.668 nan 8.210 nan 0.000 0.453 1003 K N 5.352 125.862 120.400 0.183 0.000 2.234 1003 K HA 0.475 4.798 4.320 0.005 0.000 0.282 1003 K C -0.213 176.543 176.600 0.260 0.000 1.039 1003 K CA -0.311 56.108 56.287 0.219 0.000 0.928 1003 K CB 1.005 33.655 32.500 0.251 0.000 1.039 1003 K HN 0.714 nan 8.250 nan 0.000 0.470 1004 T N -0.285 114.355 114.554 0.145 0.000 2.888 1004 T HA 0.401 4.754 4.350 0.005 0.000 0.284 1004 T C -0.460 174.085 174.700 -0.259 0.000 1.017 1004 T CA -0.899 61.216 62.100 0.026 0.000 1.022 1004 T CB 1.560 70.491 68.868 0.105 0.000 1.013 1004 T HN 0.195 nan 8.240 nan 0.000 0.465 1005 V N 3.885 123.550 119.914 -0.415 0.000 2.370 1005 V HA 0.325 4.448 4.120 0.005 0.000 0.279 1005 V C 0.801 176.798 176.094 -0.162 0.000 1.029 1005 V CA -1.030 61.020 62.300 -0.417 0.000 0.870 1005 V CB 1.053 32.508 31.823 -0.613 0.000 0.984 1005 V HN 0.983 nan 8.190 nan 0.000 0.451 1006 N N 3.287 121.927 118.700 -0.099 0.000 2.237 1006 N HA -0.105 4.638 4.740 0.005 0.000 0.245 1006 N C 1.313 176.801 175.510 -0.037 0.000 1.239 1006 N CA 0.645 53.670 53.050 -0.041 0.000 0.842 1006 N CB 0.685 39.161 38.487 -0.020 0.000 1.089 1006 N HN 0.870 nan 8.380 nan 0.000 0.454 1007 E N 2.436 122.624 120.200 -0.021 0.000 2.160 1007 E HA -0.189 4.164 4.350 0.005 0.000 0.195 1007 E C 1.319 177.912 176.600 -0.011 0.000 0.991 1007 E CA 1.296 57.687 56.400 -0.017 0.000 0.810 1007 E CB -0.028 29.665 29.700 -0.012 0.000 0.742 1007 E HN 0.682 nan 8.360 nan 0.000 0.466 1008 A N 0.846 123.662 122.820 -0.005 0.000 2.119 1008 A HA 0.215 4.538 4.320 0.005 0.000 0.217 1008 A C 1.251 178.837 177.584 0.003 0.000 1.153 1008 A CA 0.731 52.769 52.037 0.002 0.000 0.692 1008 A CB -0.357 18.650 19.000 0.012 0.000 0.799 1008 A HN 0.349 nan 8.150 nan 0.000 0.458 1009 A N 0.703 123.520 122.820 -0.005 0.000 2.425 1009 A HA 0.476 4.799 4.320 0.005 0.000 0.242 1009 A C 0.962 178.542 177.584 -0.008 0.000 1.077 1009 A CA 0.276 52.312 52.037 -0.002 0.000 0.781 1009 A CB -0.160 18.828 19.000 -0.021 0.000 1.020 1009 A HN 1.066 nan 8.150 nan 0.000 0.494 1010 S N 1.601 117.300 115.700 -0.002 0.000 2.584 1010 S HA 0.177 4.650 4.470 0.005 0.000 0.270 1010 S C 0.994 175.568 174.600 -0.042 0.000 1.346 1010 S CA 0.362 58.553 58.200 -0.015 0.000 1.018 1010 S CB 0.340 63.541 63.200 0.002 0.000 0.899 1010 S HN 0.776 nan 8.310 nan 0.000 0.542 1011 M N 1.186 120.766 119.600 -0.034 0.000 2.159 1011 M HA -0.003 4.481 4.480 0.005 0.000 0.263 1011 M C 2.112 178.374 176.300 -0.063 0.000 1.063 1011 M CA 1.602 56.881 55.300 -0.035 0.000 1.110 1011 M CB -0.853 31.737 32.600 -0.017 0.000 1.374 1011 M HN 0.851 nan 8.290 nan 0.000 0.411 1012 R N 0.321 120.770 120.500 -0.085 0.000 2.083 1012 R HA -0.174 4.169 4.340 0.005 0.000 0.237 1012 R C 2.124 178.211 176.300 -0.354 0.000 1.137 1012 R CA 2.328 58.339 56.100 -0.150 0.000 0.951 1012 R CB -0.778 29.467 30.300 -0.093 0.000 0.851 1012 R HN 0.654 nan 8.270 nan 0.000 0.434 1013 E N -0.155 119.764 120.200 -0.467 0.000 2.085 1013 E HA -0.276 4.077 4.350 0.005 0.000 0.194 1013 E C 2.083 178.602 176.600 -0.134 0.000 0.994 1013 E CA 1.486 57.574 56.400 -0.521 0.000 0.801 1013 E CB -0.160 29.419 29.700 -0.202 0.000 0.743 1013 E HN 0.332 nan 8.360 nan 0.000 0.453 1014 R N 0.365 120.812 120.500 -0.088 0.000 2.096 1014 R HA -0.135 4.208 4.340 0.005 0.000 0.235 1014 R C 2.288 178.586 176.300 -0.003 0.000 1.127 1014 R CA 1.608 57.700 56.100 -0.014 0.000 0.968 1014 R CB -0.235 30.048 30.300 -0.028 0.000 0.861 1014 R HN 0.263 nan 8.270 nan 0.000 0.440 1015 I N 0.831 121.372 120.570 -0.049 0.000 2.286 1015 I HA -0.187 3.986 4.170 0.005 0.000 0.245 1015 I C 2.088 178.174 176.117 -0.052 0.000 1.104 1015 I CA 0.934 62.211 61.300 -0.039 0.000 1.397 1015 I CB -0.237 37.760 38.000 -0.005 0.000 1.072 1015 I HN 0.168 nan 8.210 nan 0.000 0.417 1016 E N 0.672 120.841 120.200 -0.052 0.000 2.110 1016 E HA -0.236 4.117 4.350 0.005 0.000 0.193 1016 E C 1.988 178.493 176.600 -0.157 0.000 0.988 1016 E CA 1.135 57.541 56.400 0.010 0.000 0.804 1016 E CB -0.611 29.184 29.700 0.160 0.000 0.745 1016 E HN 0.393 nan 8.360 nan 0.000 0.458 1017 F N 1.719 121.330 119.950 -0.565 0.000 2.063 1017 F HA -0.240 4.290 4.527 0.005 0.000 0.298 1017 F C 2.122 177.549 175.800 -0.621 0.000 1.109 1017 F CA 1.505 58.872 58.000 -1.055 0.000 1.212 1017 F CB -0.553 38.043 39.000 -0.673 0.000 0.973 1017 F HN -0.057 nan 8.300 nan 0.000 0.480 1018 L N -0.292 120.603 121.223 -0.546 0.000 2.109 1018 L HA -0.191 4.152 4.340 0.005 0.000 0.207 1018 L C 2.101 178.743 176.870 -0.379 0.000 1.086 1018 L CA 1.645 56.087 54.840 -0.664 0.000 0.760 1018 L CB -0.735 40.852 42.059 -0.786 0.000 0.910 1018 L HN 0.241 nan 8.230 nan 0.000 0.437 1019 N N -0.841 117.749 118.700 -0.184 0.000 2.207 1019 N HA -0.141 4.602 4.740 0.005 0.000 0.182 1019 N C 1.671 177.147 175.510 -0.058 0.000 1.020 1019 N CA 0.568 53.593 53.050 -0.041 0.000 0.858 1019 N CB 0.194 38.700 38.487 0.031 0.000 0.991 1019 N HN 0.242 nan 8.380 nan 0.000 0.427 1020 E N 1.132 121.293 120.200 -0.065 0.000 2.106 1020 E HA -0.118 4.235 4.350 0.005 0.000 0.192 1020 E C 1.988 178.631 176.600 0.072 0.000 0.984 1020 E CA 0.714 57.162 56.400 0.080 0.000 0.806 1020 E CB -0.220 29.581 29.700 0.169 0.000 0.750 1020 E HN 0.368 nan 8.360 nan 0.000 0.458 1021 A N 1.108 123.797 122.820 -0.219 0.000 1.969 1021 A HA -0.095 4.228 4.320 0.005 0.000 0.218 1021 A C 2.391 179.809 177.584 -0.276 0.000 1.169 1021 A CA 1.336 53.206 52.037 -0.279 0.000 0.635 1021 A CB -0.364 18.288 19.000 -0.580 0.000 0.810 1021 A HN 0.126 nan 8.150 nan 0.000 0.445 1022 S N -0.680 114.851 115.700 -0.281 0.000 2.500 1022 S HA -0.087 4.386 4.470 0.005 0.000 0.239 1022 S C 1.655 176.017 174.600 -0.396 0.000 0.989 1022 S CA 0.915 58.925 58.200 -0.317 0.000 0.951 1022 S CB -0.287 62.831 63.200 -0.137 0.000 0.759 1022 S HN 0.399 nan 8.310 nan 0.000 0.523 1023 V N 1.722 121.414 119.914 -0.370 0.000 2.626 1023 V HA -0.077 4.046 4.120 0.005 0.000 0.252 1023 V C 1.677 177.087 176.094 -1.139 0.000 1.067 1023 V CA 1.495 63.445 62.300 -0.584 0.000 1.081 1023 V CB -0.403 31.141 31.823 -0.464 0.000 0.686 1023 V HN 0.549 nan 8.190 nan 0.000 0.468 1024 M N -1.118 117.952 119.600 -0.884 0.000 2.619 1024 M HA -0.060 4.423 4.480 0.005 0.000 0.251 1024 M C 1.880 177.723 176.300 -0.762 0.000 1.106 1024 M CA 1.084 55.857 55.300 -0.879 0.000 1.086 1024 M CB -0.224 32.191 32.600 -0.309 0.000 1.465 1024 M HN 0.214 nan 8.290 nan 0.000 0.506 1025 K N 0.289 120.186 120.400 -0.837 0.000 2.211 1025 K HA -0.109 4.214 4.320 0.005 0.000 0.203 1025 K C 1.487 177.914 176.600 -0.288 0.000 1.050 1025 K CA 0.778 56.557 56.287 -0.847 0.000 0.945 1025 K CB 0.080 32.048 32.500 -0.886 0.000 0.732 1025 K HN 0.195 nan 8.250 nan 0.000 0.451 1026 E N -0.117 119.850 120.200 -0.389 0.000 2.435 1026 E HA 0.022 4.376 4.350 0.005 0.000 0.195 1026 E C -0.190 176.489 176.600 0.131 0.000 1.029 1026 E CA 0.401 56.722 56.400 -0.131 0.000 0.865 1026 E CB 0.118 29.718 29.700 -0.166 0.000 0.833 1026 E HN 0.073 nan 8.360 nan 0.000 0.510 1027 F N 1.241 121.202 119.950 0.018 0.000 2.394 1027 F HA 0.370 4.900 4.527 0.005 0.000 0.340 1027 F C 0.780 176.629 175.800 0.081 0.000 1.105 1027 F CA -1.494 56.584 58.000 0.129 0.000 1.124 1027 F CB 0.510 39.542 39.000 0.054 0.000 1.145 1027 F HN -0.247 nan 8.300 nan 0.000 0.505 1028 N N 2.203 121.040 118.700 0.228 0.000 2.710 1028 N HA 0.236 4.979 4.740 0.005 0.000 0.244 1028 N C -1.946 173.370 175.510 -0.324 0.000 1.321 1028 N CA -0.017 53.038 53.050 0.009 0.000 0.758 1028 N CB 0.843 39.391 38.487 0.101 0.000 1.284 1028 N HN 0.641 nan 8.380 nan 0.000 0.530 1029 C N 2.898 121.934 119.300 -0.440 0.000 2.686 1029 C HA 0.398 4.861 4.460 0.005 0.000 0.318 1029 C C 1.623 176.451 174.990 -0.270 0.000 1.160 1029 C CA -0.614 58.062 59.018 -0.571 0.000 1.396 1029 C CB 0.743 27.781 27.740 -1.170 0.000 1.924 1029 C HN 0.848 nan 8.230 nan 0.000 0.471 1030 H N 1.343 120.213 119.070 -0.334 0.000 2.489 1030 H HA -0.078 4.481 4.556 0.006 0.000 0.293 1030 H C 0.614 175.698 175.328 -0.407 0.000 1.066 1030 H CA 1.998 57.813 56.048 -0.387 0.000 1.305 1030 H CB 0.271 29.714 29.762 -0.532 0.000 1.386 1030 H HN 0.857 nan 8.280 nan 0.000 0.551 1031 H N -1.153 117.860 119.070 -0.095 0.000 2.528 1031 H HA 0.267 4.826 4.556 0.005 0.000 0.282 1031 H C -0.537 174.738 175.328 -0.089 0.000 1.097 1031 H CA -0.349 55.651 56.048 -0.079 0.000 1.121 1031 H CB 0.908 30.692 29.762 0.036 0.000 1.590 1031 H HN -0.058 nan 8.280 nan 0.000 0.553 1032 V N 1.700 121.580 119.914 -0.056 0.000 2.531 1032 V HA 0.132 4.255 4.120 0.005 0.000 0.301 1032 V C 0.123 176.203 176.094 -0.024 0.000 1.034 1032 V CA -1.147 61.134 62.300 -0.032 0.000 0.865 1032 V CB 2.186 33.956 31.823 -0.089 0.000 0.995 1032 V HN 0.003 nan 8.190 nan 0.000 0.424 1033 V N 5.608 125.534 119.914 0.021 0.000 2.584 1033 V HA 0.040 4.163 4.120 0.005 0.000 0.303 1033 V C 0.902 177.021 176.094 0.041 0.000 1.035 1033 V CA 0.269 62.579 62.300 0.016 0.000 1.172 1033 V CB -0.301 31.542 31.823 0.033 0.000 0.896 1033 V HN 0.770 nan 8.190 nan 0.000 0.486 1034 R N 3.321 123.836 120.500 0.024 0.000 2.441 1034 R HA 0.414 4.757 4.340 0.005 0.000 0.284 1034 R C -0.350 175.979 176.300 0.049 0.000 1.070 1034 R CA -0.867 55.264 56.100 0.052 0.000 1.047 1034 R CB 0.925 31.260 30.300 0.057 0.000 1.016 1034 R HN 0.572 nan 8.270 nan 0.000 0.477 1035 L N 3.885 125.124 121.223 0.027 0.000 2.367 1035 L HA 0.093 4.436 4.340 0.005 0.000 0.275 1035 L C 0.248 177.219 176.870 0.168 0.000 1.129 1035 L CA 0.651 55.484 54.840 -0.011 0.000 0.839 1035 L CB 0.632 42.551 42.059 -0.233 0.000 1.133 1035 L HN 0.703 nan 8.230 nan 0.000 0.453 1036 L N 4.378 125.707 121.223 0.177 0.000 2.537 1036 L HA 0.522 4.865 4.340 0.005 0.000 0.224 1036 L C 0.911 177.973 176.870 0.319 0.000 1.065 1036 L CA 0.373 55.360 54.840 0.245 0.000 0.860 1036 L CB 0.056 42.187 42.059 0.119 0.000 1.086 1036 L HN 0.832 nan 8.230 nan 0.000 0.482 1037 G N -0.798 108.160 108.800 0.263 0.000 2.349 1037 G HA2 0.479 4.442 3.960 0.005 0.000 0.294 1037 G HA3 0.479 4.442 3.960 0.005 0.000 0.294 1037 G C -2.100 172.870 174.900 0.115 0.000 1.380 1037 G CA -0.395 44.859 45.100 0.258 0.000 0.811 1037 G HN -0.303 nan 8.290 nan 0.000 0.519 1038 V N -0.658 119.319 119.914 0.104 0.000 2.888 1038 V HA 0.657 4.780 4.120 0.005 0.000 0.309 1038 V C -0.652 175.453 176.094 0.019 0.000 1.114 1038 V CA -0.657 61.642 62.300 -0.001 0.000 0.940 1038 V CB 2.224 34.016 31.823 -0.052 0.000 1.021 1038 V HN 0.832 nan 8.190 nan 0.000 0.426 1039 V N 3.189 123.095 119.914 -0.014 0.000 2.305 1039 V HA 0.288 4.411 4.120 0.005 0.000 0.275 1039 V C 0.776 176.856 176.094 -0.024 0.000 1.020 1039 V CA 0.199 62.501 62.300 0.003 0.000 0.811 1039 V CB 1.164 32.995 31.823 0.014 0.000 1.031 1039 V HN 1.030 nan 8.190 nan 0.000 0.439 1040 S N 2.254 117.940 115.700 -0.024 0.000 2.535 1040 S HA 0.201 4.674 4.470 0.005 0.000 0.214 1040 S C 0.550 175.156 174.600 0.010 0.000 0.980 1040 S CA -0.315 57.851 58.200 -0.057 0.000 0.907 1040 S CB 0.217 63.380 63.200 -0.062 0.000 0.790 1040 S HN 0.605 nan 8.310 nan 0.000 0.510 1041 Q N 1.682 121.497 119.800 0.025 0.000 2.271 1041 Q HA 0.668 5.011 4.340 0.005 0.000 0.258 1041 Q C 0.663 176.671 176.000 0.013 0.000 0.936 1041 Q CA 0.396 56.215 55.803 0.026 0.000 0.909 1041 Q CB 0.891 29.648 28.738 0.031 0.000 1.253 1041 Q HN 0.492 nan 8.270 nan 0.000 0.440 1042 G N 2.165 110.971 108.800 0.009 0.000 2.760 1042 G HA2 -0.162 3.801 3.960 0.005 0.000 0.246 1042 G HA3 -0.162 3.801 3.960 0.005 0.000 0.246 1042 G C -1.063 173.837 174.900 -0.001 0.000 1.359 1042 G CA -0.802 44.299 45.100 0.003 0.000 0.861 1042 G HN 0.468 nan 8.290 nan 0.000 0.541 1043 Q N 0.323 120.119 119.800 -0.007 0.000 2.356 1043 Q HA 0.533 4.876 4.340 0.005 0.000 0.270 1043 Q C -2.092 173.896 176.000 -0.020 0.000 1.058 1043 Q CA -1.433 54.363 55.803 -0.012 0.000 0.802 1043 Q CB 2.554 31.284 28.738 -0.013 0.000 1.303 1043 Q HN 0.642 nan 8.270 nan 0.000 0.444 1044 P HA 0.155 nan 4.420 nan 0.000 0.277 1044 P C -0.629 176.673 177.300 0.003 0.000 1.240 1044 P CA -0.303 62.785 63.100 -0.020 0.000 0.798 1044 P CB 0.560 32.241 31.700 -0.031 0.000 0.979 1045 T N 2.437 117.000 114.554 0.015 0.000 2.853 1045 T HA 0.289 4.643 4.350 0.005 0.000 0.298 1045 T C 0.333 175.149 174.700 0.194 0.000 0.978 1045 T CA 0.023 62.174 62.100 0.085 0.000 1.152 1045 T CB -0.195 68.746 68.868 0.122 0.000 0.914 1045 T HN 0.198 nan 8.240 nan 0.000 0.539 1046 L N 3.025 124.352 121.223 0.174 0.000 2.362 1046 L HA 0.661 5.004 4.340 0.005 0.000 0.271 1046 L C -0.517 176.413 176.870 0.100 0.000 1.002 1046 L CA -1.291 53.655 54.840 0.178 0.000 0.818 1046 L CB 2.018 44.122 42.059 0.075 0.000 1.298 1046 L HN 0.317 nan 8.230 nan 0.000 0.420 1047 V N 4.168 124.152 119.914 0.116 0.000 2.384 1047 V HA 0.399 4.523 4.120 0.005 0.000 0.287 1047 V C 0.005 176.104 176.094 0.008 0.000 1.020 1047 V CA -0.500 61.753 62.300 -0.079 0.000 0.850 1047 V CB 1.979 33.621 31.823 -0.301 0.000 0.987 1047 V HN 0.401 nan 8.190 nan 0.000 0.436 1048 I N 6.397 126.967 120.570 0.001 0.000 2.315 1048 I HA 0.514 4.688 4.170 0.005 0.000 0.291 1048 I C 0.029 176.164 176.117 0.029 0.000 1.006 1048 I CA -0.004 61.316 61.300 0.034 0.000 1.265 1048 I CB 0.953 38.983 38.000 0.050 0.000 1.387 1048 I HN 0.543 nan 8.210 nan 0.000 0.475 1049 M N 3.477 123.095 119.600 0.031 0.000 2.658 1049 M HA 0.390 4.873 4.480 0.005 0.000 0.295 1049 M C 0.129 176.447 176.300 0.028 0.000 1.248 1049 M CA -0.845 54.471 55.300 0.026 0.000 0.843 1049 M CB 2.246 34.852 32.600 0.010 0.000 1.749 1049 M HN 0.442 nan 8.290 nan 0.000 0.464 1050 E N 1.735 121.950 120.200 0.025 0.000 2.558 1050 E HA 0.023 4.377 4.350 0.005 0.000 0.255 1050 E C -1.394 175.207 176.600 0.003 0.000 0.968 1050 E CA -0.245 56.163 56.400 0.012 0.000 0.939 1050 E CB 0.660 30.361 29.700 0.002 0.000 0.921 1050 E HN 0.448 nan 8.360 nan 0.000 0.477 1051 L N 5.992 127.215 121.223 -0.001 0.000 2.313 1051 L HA 0.154 4.497 4.340 0.005 0.000 0.282 1051 L C -0.547 176.308 176.870 -0.025 0.000 1.092 1051 L CA 0.134 54.970 54.840 -0.006 0.000 0.831 1051 L CB 0.953 43.011 42.059 -0.001 0.000 1.159 1051 L HN 0.579 nan 8.230 nan 0.000 0.442 1052 M N 5.134 124.717 119.600 -0.029 0.000 2.152 1052 M HA 0.195 4.679 4.480 0.005 0.000 0.354 1052 M C 1.236 177.500 176.300 -0.059 0.000 1.173 1052 M CA -0.173 55.096 55.300 -0.051 0.000 1.110 1052 M CB 0.232 32.807 32.600 -0.042 0.000 1.366 1052 M HN 0.751 nan 8.290 nan 0.000 0.415 1053 T N -0.716 113.790 114.554 -0.079 0.000 3.035 1053 T HA 0.014 4.367 4.350 0.005 0.000 0.268 1053 T C 1.309 175.952 174.700 -0.095 0.000 1.109 1053 T CA 0.763 62.817 62.100 -0.076 0.000 1.119 1053 T CB 0.003 68.822 68.868 -0.081 0.000 0.900 1053 T HN 0.620 nan 8.240 nan 0.000 0.503 1054 R N 1.128 121.545 120.500 -0.138 0.000 2.359 1054 R HA 0.456 4.799 4.340 0.005 0.000 0.231 1054 R C 1.493 177.764 176.300 -0.049 0.000 0.913 1054 R CA 0.142 56.163 56.100 -0.131 0.000 1.075 1054 R CB 0.006 30.131 30.300 -0.293 0.000 1.087 1054 R HN 0.530 nan 8.270 nan 0.000 0.515 1055 G N 2.396 111.173 108.800 -0.039 0.000 2.645 1055 G HA2 -0.296 3.667 3.960 0.005 0.000 0.239 1055 G HA3 -0.296 3.667 3.960 0.005 0.000 0.239 1055 G C -0.678 174.227 174.900 0.010 0.000 1.331 1055 G CA -0.158 44.940 45.100 -0.004 0.000 0.890 1055 G HN 0.485 nan 8.290 nan 0.000 0.572 1056 D N 0.006 120.427 120.400 0.034 0.000 2.372 1056 D HA 0.255 4.898 4.640 0.005 0.000 0.243 1056 D C 1.707 178.064 176.300 0.095 0.000 1.121 1056 D CA -0.109 53.920 54.000 0.047 0.000 0.898 1056 D CB 1.559 42.382 40.800 0.039 0.000 1.202 1056 D HN 0.637 nan 8.370 nan 0.000 0.428 1057 L N 1.862 123.144 121.223 0.098 0.000 2.079 1057 L HA -0.196 4.147 4.340 0.005 0.000 0.210 1057 L C 2.252 179.238 176.870 0.194 0.000 1.081 1057 L CA 1.678 56.615 54.840 0.162 0.000 0.752 1057 L CB -0.725 41.412 42.059 0.129 0.000 0.896 1057 L HN 0.455 nan 8.230 nan 0.000 0.433 1058 K N -0.500 119.984 120.400 0.141 0.000 2.009 1058 K HA -0.146 4.177 4.320 0.005 0.000 0.210 1058 K C 2.079 178.747 176.600 0.114 0.000 1.049 1058 K CA 1.954 58.320 56.287 0.132 0.000 0.929 1058 K CB -0.397 32.174 32.500 0.117 0.000 0.714 1058 K HN 0.441 nan 8.250 nan 0.000 0.440 1059 S N 0.206 115.970 115.700 0.107 0.000 2.368 1059 S HA -0.165 4.308 4.470 0.005 0.000 0.225 1059 S C 1.737 176.399 174.600 0.103 0.000 1.030 1059 S CA 1.288 59.541 58.200 0.087 0.000 0.999 1059 S CB -0.511 62.736 63.200 0.078 0.000 0.844 1059 S HN 0.421 nan 8.310 nan 0.000 0.459 1060 Y N 2.316 122.641 120.300 0.042 0.000 2.128 1060 Y HA -0.143 4.410 4.550 0.004 0.000 0.284 1060 Y C 1.879 177.811 175.900 0.054 0.000 1.154 1060 Y CA 1.329 59.462 58.100 0.055 0.000 1.149 1060 Y CB -0.530 37.972 38.460 0.070 0.000 0.976 1060 Y HN 0.140 nan 8.280 nan 0.000 0.505 1061 L N -0.270 120.950 121.223 -0.004 0.000 2.017 1061 L HA -0.257 4.086 4.340 0.005 0.000 0.208 1061 L C 2.654 179.447 176.870 -0.128 0.000 1.073 1061 L CA 1.275 56.056 54.840 -0.099 0.000 0.745 1061 L CB -0.534 41.542 42.059 0.029 0.000 0.894 1061 L HN 0.126 nan 8.230 nan 0.000 0.432 1062 R N 0.057 120.523 120.500 -0.056 0.000 2.105 1062 R HA -0.142 4.201 4.340 0.005 0.000 0.239 1062 R C 2.467 178.718 176.300 -0.081 0.000 1.135 1062 R CA 1.672 57.744 56.100 -0.047 0.000 0.967 1062 R CB -1.213 29.084 30.300 -0.004 0.000 0.861 1062 R HN 0.530 nan 8.270 nan 0.000 0.442 1063 S N 0.443 116.074 115.700 -0.115 0.000 2.507 1063 S HA -0.010 4.463 4.470 0.005 0.000 0.235 1063 S C 1.849 176.359 174.600 -0.150 0.000 0.988 1063 S CA 0.579 58.711 58.200 -0.114 0.000 0.944 1063 S CB -0.258 62.886 63.200 -0.092 0.000 0.762 1063 S HN 0.282 nan 8.310 nan 0.000 0.526 1064 L N 0.195 121.292 121.223 -0.210 0.000 2.592 1064 L HA 0.291 4.634 4.340 0.005 0.000 0.227 1064 L C 1.544 178.344 176.870 -0.116 0.000 1.127 1064 L CA -0.256 54.475 54.840 -0.181 0.000 0.884 1064 L CB -0.208 41.709 42.059 -0.237 0.000 1.065 1064 L HN 0.127 nan 8.230 nan 0.000 0.457 1078 S N -0.495 115.184 115.700 -0.035 0.000 2.632 1078 S HA 0.245 4.718 4.470 0.005 0.000 0.267 1078 S C 1.120 175.699 174.600 -0.034 0.000 1.276 1078 S CA -0.463 57.715 58.200 -0.036 0.000 0.998 1078 S CB 0.754 63.932 63.200 -0.036 0.000 0.953 1078 S HN 0.532 nan 8.310 nan 0.000 0.547 1079 L N 1.783 122.984 121.223 -0.036 0.000 2.079 1079 L HA -0.048 4.296 4.340 0.005 0.000 0.210 1079 L C 2.542 179.391 176.870 -0.035 0.000 1.081 1079 L CA 2.109 56.927 54.840 -0.037 0.000 0.752 1079 L CB -1.637 40.401 42.059 -0.036 0.000 0.896 1079 L HN 0.920 nan 8.230 nan 0.000 0.433 1080 S N -0.989 114.692 115.700 -0.032 0.000 2.368 1080 S HA -0.188 4.286 4.470 0.005 0.000 0.225 1080 S C 1.978 176.562 174.600 -0.027 0.000 1.030 1080 S CA 1.492 59.674 58.200 -0.030 0.000 0.999 1080 S CB -0.072 63.111 63.200 -0.027 0.000 0.844 1080 S HN 0.526 nan 8.310 nan 0.000 0.459 1081 K N 0.211 120.597 120.400 -0.023 0.000 2.116 1081 K HA 0.107 4.430 4.320 0.005 0.000 0.203 1081 K C 2.244 178.845 176.600 0.001 0.000 1.052 1081 K CA 1.025 57.305 56.287 -0.010 0.000 0.952 1081 K CB -0.197 32.295 32.500 -0.013 0.000 0.729 1081 K HN 0.355 nan 8.250 nan 0.000 0.446 1082 M N 0.684 120.279 119.600 -0.010 0.000 2.108 1082 M HA -0.186 4.297 4.480 0.005 0.000 0.261 1082 M C 1.967 178.254 176.300 -0.021 0.000 1.066 1082 M CA 1.378 56.670 55.300 -0.014 0.000 1.107 1082 M CB -0.236 32.343 32.600 -0.035 0.000 1.356 1082 M HN 0.099 nan 8.290 nan 0.000 0.406 1083 I N -0.159 120.392 120.570 -0.033 0.000 2.315 1083 I HA -0.230 3.944 4.170 0.005 0.000 0.248 1083 I C 2.401 178.482 176.117 -0.059 0.000 1.117 1083 I CA 1.411 62.683 61.300 -0.045 0.000 1.404 1083 I CB -1.326 36.639 38.000 -0.058 0.000 1.071 1083 I HN 0.351 nan 8.210 nan 0.000 0.419 1084 Q N 1.041 120.811 119.800 -0.049 0.000 2.084 1084 Q HA -0.152 4.191 4.340 0.005 0.000 0.202 1084 Q C 2.296 178.285 176.000 -0.018 0.000 0.978 1084 Q CA 1.722 57.494 55.803 -0.052 0.000 0.844 1084 Q CB -0.169 28.565 28.738 -0.007 0.000 0.898 1084 Q HN 0.385 nan 8.270 nan 0.000 0.426 1085 M N -0.578 119.033 119.600 0.018 0.000 2.065 1085 M HA -0.216 4.267 4.480 0.005 0.000 0.259 1085 M C 2.189 178.527 176.300 0.063 0.000 1.071 1085 M CA 1.646 56.974 55.300 0.046 0.000 1.109 1085 M CB -0.661 31.974 32.600 0.059 0.000 1.313 1085 M HN 0.367 nan 8.290 nan 0.000 0.408 1086 A N 0.684 123.541 122.820 0.061 0.000 1.881 1086 A HA -0.220 4.103 4.320 0.005 0.000 0.219 1086 A C 2.310 180.028 177.584 0.223 0.000 1.215 1086 A CA 2.491 54.628 52.037 0.167 0.000 0.648 1086 A CB -1.803 17.258 19.000 0.101 0.000 0.832 1086 A HN 0.618 nan 8.150 nan 0.000 0.455 1087 G N -1.270 107.538 108.800 0.013 0.000 2.422 1087 G HA2 -0.120 3.843 3.960 0.005 0.000 0.218 1087 G HA3 -0.120 3.843 3.960 0.005 0.000 0.218 1087 G C 1.419 176.276 174.900 -0.071 0.000 1.140 1087 G CA 0.978 46.002 45.100 -0.127 0.000 0.775 1087 G HN 0.683 nan 8.290 nan 0.000 0.545 1088 E N 0.068 120.218 120.200 -0.084 0.000 2.051 1088 E HA -0.070 4.283 4.350 0.005 0.000 0.192 1088 E C 2.476 178.991 176.600 -0.142 0.000 0.991 1088 E CA 0.723 56.969 56.400 -0.257 0.000 0.799 1088 E CB -0.148 29.472 29.700 -0.133 0.000 0.748 1088 E HN 0.471 nan 8.360 nan 0.000 0.449 1089 I N 1.177 121.768 120.570 0.035 0.000 2.179 1089 I HA -0.290 3.884 4.170 0.005 0.000 0.242 1089 I C 2.557 178.645 176.117 -0.048 0.000 1.088 1089 I CA 1.088 62.446 61.300 0.096 0.000 1.357 1089 I CB -0.350 37.823 38.000 0.289 0.000 1.051 1089 I HN 0.091 nan 8.210 nan 0.000 0.409 1090 A N 0.195 122.974 122.820 -0.067 0.000 1.940 1090 A HA -0.313 4.010 4.320 0.005 0.000 0.219 1090 A C 1.971 179.437 177.584 -0.197 0.000 1.176 1090 A CA 2.426 54.249 52.037 -0.357 0.000 0.631 1090 A CB -0.771 18.070 19.000 -0.265 0.000 0.814 1090 A HN 0.484 nan 8.150 nan 0.000 0.446 1091 D N -0.965 119.438 120.400 0.005 0.000 2.117 1091 D HA -0.013 4.630 4.640 0.005 0.000 0.198 1091 D C 2.023 178.407 176.300 0.140 0.000 0.982 1091 D CA 1.559 55.671 54.000 0.188 0.000 0.828 1091 D CB -0.384 40.593 40.800 0.294 0.000 0.967 1091 D HN 0.298 nan 8.370 nan 0.000 0.464 1092 G N 0.098 108.924 108.800 0.044 0.000 2.418 1092 G HA2 -0.230 3.733 3.960 0.005 0.000 0.217 1092 G HA3 -0.230 3.733 3.960 0.005 0.000 0.217 1092 G C 1.511 176.335 174.900 -0.128 0.000 1.158 1092 G CA 0.767 45.875 45.100 0.012 0.000 0.771 1092 G HN 0.168 nan 8.290 nan 0.000 0.545 1093 M N 1.141 120.528 119.600 -0.355 0.000 2.132 1093 M HA 0.113 4.596 4.480 0.005 0.000 0.263 1093 M C 3.045 179.045 176.300 -0.501 0.000 1.065 1093 M CA 1.146 56.045 55.300 -0.668 0.000 1.122 1093 M CB -1.354 30.249 32.600 -1.662 0.000 1.365 1093 M HN 0.310 nan 8.290 nan 0.000 0.411 1094 A N -0.542 122.096 122.820 -0.304 0.000 1.883 1094 A HA -0.250 4.074 4.320 0.005 0.000 0.217 1094 A C 2.185 179.690 177.584 -0.133 0.000 1.186 1094 A CA 1.787 53.875 52.037 0.085 0.000 0.624 1094 A CB -1.305 17.928 19.000 0.388 0.000 0.822 1094 A HN 0.521 nan 8.150 nan 0.000 0.444 1095 Y N 0.417 120.409 120.300 -0.513 0.000 2.128 1095 Y HA -0.210 4.343 4.550 0.006 0.000 0.284 1095 Y C 2.025 177.535 175.900 -0.650 0.000 1.154 1095 Y CA 2.078 59.542 58.100 -1.060 0.000 1.149 1095 Y CB -0.330 37.669 38.460 -0.769 0.000 0.976 1095 Y HN 0.230 nan 8.280 nan 0.000 0.505 1096 L N 0.155 121.118 121.223 -0.433 0.000 2.017 1096 L HA -0.265 4.078 4.340 0.005 0.000 0.208 1096 L C 2.233 178.957 176.870 -0.244 0.000 1.073 1096 L CA 1.890 56.475 54.840 -0.425 0.000 0.745 1096 L CB -0.756 41.206 42.059 -0.161 0.000 0.894 1096 L HN 0.329 nan 8.230 nan 0.000 0.432 1097 N N -0.230 118.385 118.700 -0.143 0.000 2.205 1097 N HA -0.183 4.560 4.740 0.005 0.000 0.186 1097 N C 1.768 177.221 175.510 -0.095 0.000 1.015 1097 N CA 1.030 54.050 53.050 -0.051 0.000 0.862 1097 N CB -0.077 38.459 38.487 0.082 0.000 0.986 1097 N HN 0.333 nan 8.380 nan 0.000 0.429 1098 A N 0.750 123.453 122.820 -0.195 0.000 2.067 1098 A HA 0.012 4.336 4.320 0.005 0.000 0.217 1098 A C 1.486 178.941 177.584 -0.215 0.000 1.156 1098 A CA 0.765 52.707 52.037 -0.160 0.000 0.683 1098 A CB 0.022 18.940 19.000 -0.136 0.000 0.808 1098 A HN 0.259 nan 8.150 nan 0.000 0.455 1099 N N 0.073 118.568 118.700 -0.342 0.000 2.313 1099 N HA 0.025 4.768 4.740 0.005 0.000 0.207 1099 N C -0.428 175.059 175.510 -0.038 0.000 1.141 1099 N CA 0.063 52.976 53.050 -0.229 0.000 0.830 1099 N CB 0.349 38.612 38.487 -0.374 0.000 1.008 1099 N HN 0.150 nan 8.380 nan 0.000 0.481 1100 K N -0.458 119.923 120.400 -0.033 0.000 3.391 1100 K HA -0.206 4.117 4.320 0.005 0.000 0.307 1100 K C -0.430 176.210 176.600 0.067 0.000 1.304 1100 K CA 0.539 56.834 56.287 0.014 0.000 0.904 1100 K CB -2.230 30.284 32.500 0.022 0.000 1.293 1100 K HN 0.249 nan 8.250 nan 0.000 0.470 1101 F N 1.004 120.895 119.950 -0.098 0.000 2.415 1101 F HA 0.418 4.948 4.527 0.005 0.000 0.348 1101 F C 0.218 175.965 175.800 -0.088 0.000 1.119 1101 F CA -0.939 57.004 58.000 -0.095 0.000 1.069 1101 F CB 1.117 40.054 39.000 -0.104 0.000 1.124 1101 F HN -0.186 nan 8.300 nan 0.000 0.472 1102 V N 6.897 126.425 119.914 -0.643 0.000 2.394 1102 V HA 0.098 4.222 4.120 0.005 0.000 0.282 1102 V C 1.091 176.706 176.094 -0.798 0.000 1.031 1102 V CA -0.419 61.612 62.300 -0.448 0.000 0.881 1102 V CB 1.101 32.794 31.823 -0.216 0.000 0.982 1102 V HN 0.856 nan 8.190 nan 0.000 0.451 1103 H N 5.387 124.219 119.070 -0.397 0.000 2.333 1103 H HA -0.011 4.548 4.556 0.005 0.000 0.302 1103 H C 1.485 176.705 175.328 -0.179 0.000 1.075 1103 H CA 2.064 58.002 56.048 -0.183 0.000 1.348 1103 H CB 0.387 30.206 29.762 0.096 0.000 1.393 1103 H HN 0.744 nan 8.280 nan 0.000 0.509 1104 R N -0.959 119.543 120.500 0.002 0.000 3.749 1104 R HA -0.175 4.168 4.340 0.005 0.000 0.476 1104 R C -0.282 175.925 176.300 -0.155 0.000 0.814 1104 R CA 1.329 57.221 56.100 -0.346 0.000 1.494 1104 R CB -1.638 28.136 30.300 -0.876 0.000 2.164 1104 R HN 0.334 nan 8.270 nan 0.000 0.473 1105 D N 0.422 120.989 120.400 0.279 0.000 2.865 1105 D HA 0.168 4.811 4.640 0.005 0.000 0.347 1105 D C -0.951 175.458 176.300 0.181 0.000 1.498 1105 D CA -0.429 53.701 54.000 0.217 0.000 0.787 1105 D CB 0.340 41.218 40.800 0.131 0.000 1.190 1105 D HN 0.051 nan 8.370 nan 0.000 0.445 1106 L N 1.610 122.882 121.223 0.082 0.000 2.418 1106 L HA 0.597 4.940 4.340 0.005 0.000 0.274 1106 L C -0.486 176.414 176.870 0.050 0.000 1.135 1106 L CA 0.322 55.107 54.840 -0.090 0.000 0.870 1106 L CB 0.320 42.388 42.059 0.014 0.000 1.154 1106 L HN 0.177 nan 8.230 nan 0.000 0.462 1107 A N 3.953 126.741 122.820 -0.054 0.000 2.608 1107 A HA 0.704 5.028 4.320 0.005 0.000 0.292 1107 A C 0.482 178.074 177.584 0.013 0.000 1.066 1107 A CA -0.165 51.792 52.037 -0.134 0.000 0.676 1107 A CB 0.522 19.011 19.000 -0.852 0.000 1.277 1107 A HN 1.023 nan 8.150 nan 0.000 0.413 1108 A N 0.786 123.696 122.820 0.149 0.000 1.940 1108 A HA -0.152 4.171 4.320 0.005 0.000 0.219 1108 A C 1.959 179.584 177.584 0.068 0.000 1.176 1108 A CA 2.053 54.172 52.037 0.137 0.000 0.631 1108 A CB -0.664 18.457 19.000 0.202 0.000 0.814 1108 A HN 1.154 nan 8.150 nan 0.000 0.446 1109 R N -0.797 119.707 120.500 0.006 0.000 2.200 1109 R HA -0.088 4.256 4.340 0.005 0.000 0.234 1109 R C 0.421 176.712 176.300 -0.015 0.000 1.127 1109 R CA 1.741 57.829 56.100 -0.020 0.000 0.989 1109 R CB -0.430 29.820 30.300 -0.085 0.000 0.869 1109 R HN 0.374 nan 8.270 nan 0.000 0.459 1110 N N -0.358 118.331 118.700 -0.018 0.000 2.187 1110 N HA 0.140 4.883 4.740 0.005 0.000 0.212 1110 N C -0.574 174.964 175.510 0.048 0.000 1.152 1110 N CA -0.139 52.928 53.050 0.029 0.000 0.872 1110 N CB 0.546 39.072 38.487 0.065 0.000 1.025 1110 N HN 0.146 nan 8.380 nan 0.000 0.514 1114 A N 2.124 124.847 122.820 -0.162 0.000 2.280 1114 A HA 0.699 5.022 4.320 0.005 0.000 0.268 1114 A C 1.227 178.662 177.584 -0.248 0.000 1.111 1114 A CA 0.543 52.487 52.037 -0.155 0.000 0.814 1114 A CB 0.386 19.326 19.000 -0.101 0.000 1.093 1114 A HN 1.061 nan 8.150 nan 0.000 0.498 1115 E N 0.339 120.426 120.200 -0.187 0.000 2.086 1115 E HA -0.240 4.113 4.350 0.005 0.000 0.200 1115 E C 0.982 177.432 176.600 -0.250 0.000 1.012 1115 E CA 2.276 58.551 56.400 -0.208 0.000 0.812 1115 E CB -0.145 29.497 29.700 -0.096 0.000 0.743 1115 E HN 0.739 nan 8.360 nan 0.000 0.453 1116 D N -1.417 118.929 120.400 -0.090 0.000 2.325 1116 D HA -0.071 4.572 4.640 0.005 0.000 0.234 1116 D C -0.049 176.398 176.300 0.245 0.000 1.122 1116 D CA -0.182 53.872 54.000 0.090 0.000 0.850 1116 D CB -0.694 40.179 40.800 0.122 0.000 0.921 1116 D HN 0.331 nan 8.370 nan 0.000 0.513 1117 F N -1.222 118.701 119.950 -0.047 0.000 2.794 1117 F HA -0.245 4.286 4.527 0.006 0.000 0.335 1117 F C 0.390 176.153 175.800 -0.062 0.000 0.653 1117 F CA 0.779 58.716 58.000 -0.105 0.000 1.266 1117 F CB -2.568 36.383 39.000 -0.083 0.000 1.666 1117 F HN -0.101 nan 8.300 nan 0.000 0.314 1118 T N 1.938 116.560 114.554 0.114 0.000 2.888 1118 T HA 0.413 4.766 4.350 0.005 0.000 0.301 1118 T C 0.542 175.279 174.700 0.062 0.000 1.001 1118 T CA -0.220 61.957 62.100 0.128 0.000 1.147 1118 T CB 1.158 70.109 68.868 0.139 0.000 0.931 1118 T HN 0.047 nan 8.240 nan 0.000 0.541 1119 V N 5.259 125.228 119.914 0.091 0.000 2.509 1119 V HA 0.420 4.544 4.120 0.005 0.000 0.284 1119 V C 0.362 176.511 176.094 0.093 0.000 1.047 1119 V CA -0.400 61.936 62.300 0.060 0.000 0.952 1119 V CB 1.076 32.935 31.823 0.060 0.000 0.988 1119 V HN 0.766 nan 8.190 nan 0.000 0.469 1120 K N 3.809 124.242 120.400 0.055 0.000 2.482 1120 K HA 0.594 4.917 4.320 0.005 0.000 0.257 1120 K C -1.405 175.229 176.600 0.056 0.000 0.969 1120 K CA -1.026 55.297 56.287 0.059 0.000 0.842 1120 K CB 2.452 34.952 32.500 0.001 0.000 1.359 1120 K HN 0.324 nan 8.250 nan 0.000 0.441 1121 I N 2.310 122.918 120.570 0.064 0.000 2.471 1121 I HA 0.143 4.317 4.170 0.005 0.000 0.286 1121 I C 0.959 177.168 176.117 0.154 0.000 1.079 1121 I CA 0.424 61.777 61.300 0.089 0.000 1.398 1121 I CB 0.029 38.081 38.000 0.087 0.000 1.403 1121 I HN 0.843 nan 8.210 nan 0.000 0.530 1122 G N 4.674 113.586 108.800 0.186 0.000 3.099 1122 G HA2 0.114 4.078 3.960 0.005 0.000 0.151 1122 G HA3 0.114 4.078 3.960 0.005 0.000 0.151 1122 G C -0.594 174.495 174.900 0.313 0.000 1.265 1122 G CA -0.286 44.931 45.100 0.194 0.000 0.981 1122 G HN 0.500 nan 8.290 nan 0.000 0.601 1123 D N 0.459 120.946 120.400 0.145 0.000 2.662 1123 D HA -0.012 4.631 4.640 0.005 0.000 0.237 1123 D C 0.868 177.235 176.300 0.112 0.000 1.154 1123 D CA 0.060 54.070 54.000 0.017 0.000 0.861 1123 D CB -0.010 40.789 40.800 -0.001 0.000 1.146 1123 D HN 0.212 nan 8.370 nan 0.000 0.518 1124 F N 1.190 121.134 119.950 -0.010 0.000 2.695 1124 F HA 0.426 4.957 4.527 0.006 0.000 0.303 1124 F C 1.794 177.570 175.800 -0.041 0.000 1.091 1124 F CA -0.341 57.483 58.000 -0.292 0.000 1.300 1124 F CB -0.160 38.570 39.000 -0.450 0.000 1.071 1124 F HN 0.269 nan 8.300 nan 0.000 0.578 1125 G N 0.748 109.471 108.800 -0.129 0.000 2.572 1125 G HA2 -0.073 3.891 3.960 0.005 0.000 0.216 1125 G HA3 -0.073 3.891 3.960 0.005 0.000 0.216 1125 G C 1.441 176.368 174.900 0.046 0.000 1.133 1125 G CA 0.375 45.543 45.100 0.113 0.000 0.791 1125 G HN 0.153 nan 8.290 nan 0.000 0.538 1126 M N 1.823 121.410 119.600 -0.022 0.000 2.195 1126 M HA -0.093 4.390 4.480 0.005 0.000 0.260 1126 M C 2.712 178.960 176.300 -0.087 0.000 1.066 1126 M CA 1.886 57.139 55.300 -0.079 0.000 1.089 1126 M CB -1.374 31.190 32.600 -0.061 0.000 1.377 1126 M HN 0.429 nan 8.290 nan 0.000 0.411 1127 T N -3.265 111.254 114.554 -0.058 0.000 3.081 1127 T HA 0.070 4.423 4.350 0.005 0.000 0.255 1127 T C 1.832 176.511 174.700 -0.035 0.000 1.113 1127 T CA 0.344 62.403 62.100 -0.068 0.000 1.082 1127 T CB -0.007 68.770 68.868 -0.151 0.000 0.939 1127 T HN 0.355 nan 8.240 nan 0.000 0.506 1128 R N 0.910 121.423 120.500 0.023 0.000 2.237 1128 R HA 0.202 4.545 4.340 0.005 0.000 0.195 1128 R C 0.246 176.603 176.300 0.094 0.000 0.956 1128 R CA 0.316 56.491 56.100 0.125 0.000 1.029 1128 R CB 0.066 30.540 30.300 0.290 0.000 0.972 1128 R HN 0.278 nan 8.270 nan 0.000 0.493 1129 D N 1.651 121.938 120.400 -0.187 0.000 2.402 1129 D HA 0.019 4.662 4.640 0.005 0.000 0.235 1129 D C 0.588 176.683 176.300 -0.341 0.000 1.226 1129 D CA -0.199 53.499 54.000 -0.503 0.000 0.918 1129 D CB 0.452 40.563 40.800 -1.148 0.000 1.043 1129 D HN 0.286 nan 8.370 nan 0.000 0.506 1130 I N 0.258 120.527 120.570 -0.501 0.000 3.914 1130 I HA 0.296 4.469 4.170 0.005 0.000 0.333 1130 I C -0.788 174.979 176.117 -0.584 0.000 1.449 1130 I CA -0.714 60.261 61.300 -0.542 0.000 1.135 1130 I CB -0.313 37.374 38.000 -0.521 0.000 1.073 1130 I HN 0.004 nan 8.210 nan 0.000 0.401 1131 Y N 0.907 121.187 120.300 -0.033 0.000 2.328 1131 Y HA 0.705 5.258 4.550 0.005 0.000 0.337 1131 Y C -0.049 175.862 175.900 0.018 0.000 0.966 1131 Y CA -0.851 57.269 58.100 0.033 0.000 1.136 1131 Y CB 1.150 39.650 38.460 0.065 0.000 1.170 1131 Y HN 0.083 nan 8.280 nan 0.000 0.470 1132 E N 0.423 120.739 120.200 0.193 0.000 2.222 1132 E HA 0.295 4.648 4.350 0.005 0.000 0.267 1132 E C 0.622 177.343 176.600 0.203 0.000 0.884 1132 E CA -0.342 56.158 56.400 0.167 0.000 0.764 1132 E CB 1.504 31.296 29.700 0.154 0.000 1.169 1132 E HN 0.677 nan 8.360 nan 0.000 0.413 1133 T N 0.125 114.782 114.554 0.171 0.000 2.737 1133 T HA -0.077 4.276 4.350 0.005 0.000 0.265 1133 T C 0.577 175.327 174.700 0.084 0.000 1.038 1133 T CA 1.198 63.371 62.100 0.121 0.000 1.144 1133 T CB -0.007 68.910 68.868 0.082 0.000 0.866 1133 T HN 0.322 nan 8.240 nan 0.000 0.434 1134 D N -0.147 120.299 120.400 0.078 0.000 2.469 1134 D HA 0.264 4.907 4.640 0.005 0.000 0.215 1134 D C -0.852 175.229 176.300 -0.365 0.000 1.154 1134 D CA -0.200 53.716 54.000 -0.140 0.000 0.832 1134 D CB 0.377 41.036 40.800 -0.234 0.000 1.008 1134 D HN 0.468 nan 8.370 nan 0.000 0.506 1135 Y N -0.325 120.024 120.300 0.082 0.000 2.536 1135 Y HA 0.476 5.030 4.550 0.005 0.000 0.347 1135 Y C -0.953 175.057 175.900 0.182 0.000 1.000 1135 Y CA -1.290 56.871 58.100 0.101 0.000 1.051 1135 Y CB 1.884 40.378 38.460 0.057 0.000 1.259 1135 Y HN -0.231 nan 8.280 nan 0.000 0.468 1136 Y N 1.923 122.312 120.300 0.149 0.000 2.396 1136 Y HA 0.526 5.079 4.550 0.005 0.000 0.332 1136 Y C -1.002 174.937 175.900 0.064 0.000 1.034 1136 Y CA -1.570 56.576 58.100 0.078 0.000 1.057 1136 Y CB 1.263 39.750 38.460 0.045 0.000 1.220 1136 Y HN 0.596 nan 8.280 nan 0.000 0.440 1137 R N 4.964 125.246 120.500 -0.363 0.000 2.340 1137 R HA 0.215 4.559 4.340 0.005 0.000 0.300 1137 R C 1.310 177.322 176.300 -0.480 0.000 1.069 1137 R CA -0.684 55.230 56.100 -0.309 0.000 0.984 1137 R CB 1.154 31.314 30.300 -0.234 0.000 1.003 1137 R HN 0.706 nan 8.270 nan 0.000 0.459 1138 K N 2.478 122.743 120.400 -0.225 0.000 2.030 1138 K HA -0.249 4.074 4.320 0.005 0.000 0.222 1138 K C 1.771 178.269 176.600 -0.170 0.000 1.056 1138 K CA 2.530 58.733 56.287 -0.139 0.000 0.957 1138 K CB -0.468 31.999 32.500 -0.054 0.000 0.727 1138 K HN 0.869 nan 8.250 nan 0.000 0.452 1139 G N -1.493 107.211 108.800 -0.161 0.000 2.421 1139 G HA2 -0.001 3.962 3.960 0.005 0.000 0.217 1139 G HA3 -0.001 3.962 3.960 0.005 0.000 0.217 1139 G C 1.018 175.826 174.900 -0.153 0.000 1.143 1139 G CA 1.168 46.202 45.100 -0.110 0.000 0.784 1139 G HN 0.644 nan 8.290 nan 0.000 0.541 1140 G N -0.885 107.730 108.800 -0.309 0.000 2.192 1140 G HA2 -0.185 3.779 3.960 0.005 0.000 0.193 1140 G HA3 -0.185 3.779 3.960 0.005 0.000 0.193 1140 G C 0.584 175.366 174.900 -0.198 0.000 0.999 1140 G CA 0.193 45.105 45.100 -0.313 0.000 0.659 1140 G HN 0.476 nan 8.290 nan 0.000 0.503 1141 K N 0.378 120.682 120.400 -0.161 0.000 2.273 1141 K HA 0.595 4.918 4.320 0.005 0.000 0.240 1141 K C 0.975 177.501 176.600 -0.125 0.000 1.056 1141 K CA 0.279 56.501 56.287 -0.108 0.000 0.910 1141 K CB 0.530 32.987 32.500 -0.070 0.000 1.196 1141 K HN 0.382 nan 8.250 nan 0.000 0.509 1142 G N -0.299 108.450 108.800 -0.084 0.000 3.175 1142 G HA2 0.513 4.476 3.960 0.005 0.000 0.255 1142 G HA3 0.513 4.476 3.960 0.005 0.000 0.255 1142 G C -0.847 174.023 174.900 -0.049 0.000 1.352 1142 G CA -0.938 44.109 45.100 -0.089 0.000 1.037 1142 G HN 0.318 nan 8.290 nan 0.000 0.556 1143 L N 0.190 121.384 121.223 -0.049 0.000 2.380 1143 L HA 0.399 4.742 4.340 0.005 0.000 0.273 1143 L C -0.406 176.477 176.870 0.023 0.000 1.138 1143 L CA -0.099 54.729 54.840 -0.020 0.000 0.832 1143 L CB 0.748 42.785 42.059 -0.037 0.000 1.124 1143 L HN 0.141 nan 8.230 nan 0.000 0.454 1144 L N 5.209 126.469 121.223 0.060 0.000 2.362 1144 L HA 0.426 4.769 4.340 0.005 0.000 0.275 1144 L C -1.977 174.983 176.870 0.150 0.000 0.998 1144 L CA -1.622 53.297 54.840 0.131 0.000 0.820 1144 L CB 2.024 44.175 42.059 0.153 0.000 1.270 1144 L HN 0.425 nan 8.230 nan 0.000 0.415 1145 P HA 0.022 nan 4.420 nan 0.000 0.225 1145 P C 1.026 178.566 177.300 0.399 0.000 1.813 1145 P CA -0.258 62.998 63.100 0.261 0.000 1.013 1145 P CB 0.189 32.000 31.700 0.184 0.000 1.961 1146 V N 0.644 120.727 119.914 0.282 0.000 2.568 1146 V HA -0.245 3.878 4.120 0.005 0.000 0.253 1146 V C 1.951 178.161 176.094 0.193 0.000 1.072 1146 V CA 1.302 63.714 62.300 0.187 0.000 1.084 1146 V CB -1.263 30.604 31.823 0.074 0.000 0.676 1146 V HN 0.162 nan 8.190 nan 0.000 0.469 1147 R N -1.232 119.449 120.500 0.302 0.000 2.307 1147 R HA 0.083 4.426 4.340 0.005 0.000 0.199 1147 R C 1.747 178.056 176.300 0.014 0.000 1.000 1147 R CA 1.266 57.440 56.100 0.123 0.000 1.023 1147 R CB -0.148 30.089 30.300 -0.106 0.000 0.908 1147 R HN 0.645 nan 8.270 nan 0.000 0.473 1148 W N -0.201 121.262 121.300 0.271 0.000 3.127 1148 W HA 0.296 4.960 4.660 0.006 0.000 0.344 1148 W C 0.059 176.821 176.519 0.405 0.000 1.151 1148 W CA -0.449 57.102 57.345 0.344 0.000 1.765 1148 W CB 0.331 29.959 29.460 0.281 0.000 1.085 1148 W HN -0.001 nan 8.180 nan 0.000 0.596 1149 M N 0.788 120.623 119.600 0.392 0.000 2.314 1149 M HA 0.132 4.616 4.480 0.005 0.000 0.342 1149 M C 1.026 177.049 176.300 -0.461 0.000 1.171 1149 M CA -0.015 55.359 55.300 0.123 0.000 1.098 1149 M CB 1.449 34.106 32.600 0.095 0.000 1.559 1149 M HN -0.281 nan 8.290 nan 0.000 0.459 1150 S N 1.451 116.697 115.700 -0.756 0.000 2.593 1150 S HA 0.275 4.748 4.470 0.005 0.000 0.269 1150 S C -2.186 171.812 174.600 -1.002 0.000 1.334 1150 S CA -1.124 56.197 58.200 -1.465 0.000 1.015 1150 S CB 0.349 63.097 63.200 -0.755 0.000 0.912 1150 S HN 0.444 nan 8.310 nan 0.000 0.541 1151 P HA -0.174 nan 4.420 nan 0.000 0.216 1151 P C 1.676 178.656 177.300 -0.534 0.000 1.150 1151 P CA 1.393 64.032 63.100 -0.767 0.000 0.837 1151 P CB -0.055 30.998 31.700 -1.078 0.000 0.786 1152 E N -0.485 119.410 120.200 -0.508 0.000 2.152 1152 E HA -0.085 4.268 4.350 0.005 0.000 0.192 1152 E C 1.644 178.058 176.600 -0.309 0.000 0.983 1152 E CA 1.379 57.583 56.400 -0.327 0.000 0.818 1152 E CB -1.133 28.419 29.700 -0.247 0.000 0.758 1152 E HN 0.137 nan 8.360 nan 0.000 0.467 1153 S N 1.136 116.607 115.700 -0.381 0.000 2.387 1153 S HA 0.065 4.538 4.470 0.005 0.000 0.226 1153 S C 2.133 176.500 174.600 -0.388 0.000 1.026 1153 S CA 0.633 58.552 58.200 -0.469 0.000 0.972 1153 S CB -0.220 62.620 63.200 -0.600 0.000 0.814 1153 S HN 0.201 nan 8.310 nan 0.000 0.477 1154 L N 1.160 122.190 121.223 -0.322 0.000 2.083 1154 L HA -0.158 4.185 4.340 0.005 0.000 0.209 1154 L C 2.397 179.154 176.870 -0.188 0.000 1.083 1154 L CA 1.267 55.970 54.840 -0.230 0.000 0.752 1154 L CB -0.444 41.477 42.059 -0.230 0.000 0.899 1154 L HN 0.252 nan 8.230 nan 0.000 0.433 1155 K N 0.141 120.422 120.400 -0.198 0.000 1.984 1155 K HA -0.173 4.150 4.320 0.005 0.000 0.209 1155 K C 1.345 177.866 176.600 -0.132 0.000 1.046 1155 K CA 1.788 57.989 56.287 -0.145 0.000 0.934 1155 K CB -0.136 32.286 32.500 -0.131 0.000 0.717 1155 K HN 0.414 nan 8.250 nan 0.000 0.438 1156 D N -2.101 118.205 120.400 -0.158 0.000 2.469 1156 D HA 0.097 4.740 4.640 0.005 0.000 0.213 1156 D C 0.905 177.112 176.300 -0.154 0.000 1.135 1156 D CA 0.459 54.380 54.000 -0.131 0.000 0.834 1156 D CB 0.573 41.310 40.800 -0.106 0.000 1.009 1156 D HN 0.273 nan 8.370 nan 0.000 0.507 1157 G N 0.620 109.278 108.800 -0.236 0.000 2.175 1157 G HA2 -0.241 3.722 3.960 0.005 0.000 0.265 1157 G HA3 -0.241 3.722 3.960 0.005 0.000 0.265 1157 G C 0.337 175.012 174.900 -0.375 0.000 0.979 1157 G CA 0.731 45.655 45.100 -0.293 0.000 0.663 1157 G HN 1.032 nan 8.290 nan 0.000 0.533 1158 V N -1.715 117.995 119.914 -0.340 0.000 2.567 1158 V HA 0.868 4.991 4.120 0.005 0.000 0.289 1158 V C 0.023 175.890 176.094 -0.378 0.000 1.049 1158 V CA -1.463 60.700 62.300 -0.229 0.000 0.969 1158 V CB 1.138 32.918 31.823 -0.072 0.000 0.995 1158 V HN 0.299 nan 8.190 nan 0.000 0.471 1159 F N 3.281 123.228 119.950 -0.005 0.000 2.480 1159 F HA 0.815 5.346 4.527 0.006 0.000 0.329 1159 F C 0.707 176.506 175.800 -0.002 0.000 1.091 1159 F CA -0.003 58.001 58.000 0.005 0.000 0.972 1159 F CB 2.316 41.319 39.000 0.005 0.000 1.150 1159 F HN 0.917 nan 8.300 nan 0.000 0.467 1160 T N -2.520 112.150 114.554 0.193 0.000 2.865 1160 T HA 0.262 4.615 4.350 0.005 0.000 0.294 1160 T C 0.731 175.448 174.700 0.028 0.000 1.119 1160 T CA -0.566 61.578 62.100 0.072 0.000 1.007 1160 T CB 1.397 70.318 68.868 0.088 0.000 1.225 1160 T HN 0.473 nan 8.240 nan 0.000 0.515 1161 T N 0.470 114.937 114.554 -0.145 0.000 2.684 1161 T HA -0.190 4.163 4.350 0.005 0.000 0.267 1161 T C 1.306 175.920 174.700 -0.143 0.000 1.032 1161 T CA 2.487 64.471 62.100 -0.193 0.000 1.155 1161 T CB -0.882 67.739 68.868 -0.413 0.000 0.857 1161 T HN 0.706 nan 8.240 nan 0.000 0.457 1162 Y N 1.199 121.547 120.300 0.080 0.000 2.314 1162 Y HA -0.055 4.498 4.550 0.006 0.000 0.293 1162 Y C 2.958 178.946 175.900 0.146 0.000 1.129 1162 Y CA 0.812 58.952 58.100 0.067 0.000 1.201 1162 Y CB -0.446 38.044 38.460 0.051 0.000 0.999 1162 Y HN 0.286 nan 8.280 nan 0.000 0.541 1163 S N -0.690 115.189 115.700 0.297 0.000 2.461 1163 S HA -0.135 4.338 4.470 0.005 0.000 0.228 1163 S C 1.366 176.216 174.600 0.417 0.000 1.005 1163 S CA 1.065 59.456 58.200 0.319 0.000 0.942 1163 S CB -0.265 63.064 63.200 0.215 0.000 0.776 1163 S HN 0.292 nan 8.310 nan 0.000 0.514 1164 D N 1.767 122.383 120.400 0.361 0.000 2.117 1164 D HA -0.018 4.625 4.640 0.005 0.000 0.197 1164 D C 2.027 178.631 176.300 0.506 0.000 0.987 1164 D CA 0.846 55.110 54.000 0.440 0.000 0.829 1164 D CB -0.426 40.645 40.800 0.450 0.000 0.961 1164 D HN 0.310 nan 8.370 nan 0.000 0.460 1165 V N 0.815 120.867 119.914 0.230 0.000 2.427 1165 V HA -0.185 3.938 4.120 0.005 0.000 0.248 1165 V C 2.154 178.436 176.094 0.313 0.000 1.051 1165 V CA 1.149 63.440 62.300 -0.016 0.000 1.048 1165 V CB -0.429 31.225 31.823 -0.281 0.000 0.666 1165 V HN 0.405 nan 8.190 nan 0.000 0.456 1166 W N 1.157 122.608 121.300 0.251 0.000 2.318 1166 W HA -0.239 4.424 4.660 0.005 0.000 0.313 1166 W C 2.476 179.271 176.519 0.460 0.000 1.221 1166 W CA 2.284 59.846 57.345 0.362 0.000 1.266 1166 W CB -0.581 29.043 29.460 0.275 0.000 1.150 1166 W HN 0.331 nan 8.180 nan 0.000 0.496 1167 S N 0.715 116.845 115.700 0.717 0.000 2.382 1167 S HA -0.227 4.247 4.470 0.005 0.000 0.228 1167 S C 1.539 176.464 174.600 0.542 0.000 1.027 1167 S CA 1.515 60.113 58.200 0.662 0.000 0.991 1167 S CB -1.098 62.471 63.200 0.617 0.000 0.823 1167 S HN 0.332 nan 8.310 nan 0.000 0.469 1168 F N 2.746 122.921 119.950 0.376 0.000 2.120 1168 F HA -0.139 4.391 4.527 0.005 0.000 0.300 1168 F C 2.279 178.181 175.800 0.169 0.000 1.095 1168 F CA 1.419 59.603 58.000 0.306 0.000 1.249 1168 F CB -1.015 38.246 39.000 0.435 0.000 0.995 1168 F HN 0.224 nan 8.300 nan 0.000 0.480 1169 G N -0.136 108.675 108.800 0.017 0.000 2.440 1169 G HA2 -0.234 3.729 3.960 0.005 0.000 0.218 1169 G HA3 -0.234 3.729 3.960 0.005 0.000 0.218 1169 G C 1.735 176.649 174.900 0.023 0.000 1.154 1169 G CA 1.300 46.192 45.100 -0.347 0.000 0.767 1169 G HN 0.365 nan 8.290 nan 0.000 0.552 1170 V N 0.643 120.775 119.914 0.363 0.000 2.343 1170 V HA -0.187 3.936 4.120 0.005 0.000 0.247 1170 V C 3.029 179.316 176.094 0.322 0.000 1.051 1170 V CA 1.545 64.045 62.300 0.333 0.000 1.036 1170 V CB -0.541 31.364 31.823 0.136 0.000 0.654 1170 V HN 0.259 nan 8.190 nan 0.000 0.451 1171 V N -0.123 119.948 119.914 0.261 0.000 2.343 1171 V HA -0.259 3.864 4.120 0.005 0.000 0.247 1171 V C 2.337 178.446 176.094 0.025 0.000 1.051 1171 V CA 1.944 64.355 62.300 0.185 0.000 1.036 1171 V CB -0.611 31.296 31.823 0.139 0.000 0.654 1171 V HN 0.444 nan 8.190 nan 0.000 0.451 1172 L N -1.547 119.567 121.223 -0.183 0.000 2.042 1172 L HA -0.232 4.111 4.340 0.005 0.000 0.210 1172 L C 2.348 179.199 176.870 -0.031 0.000 1.076 1172 L CA 2.291 57.004 54.840 -0.212 0.000 0.749 1172 L CB -0.605 41.219 42.059 -0.392 0.000 0.893 1172 L HN 0.509 nan 8.230 nan 0.000 0.432 1173 W N 1.412 122.652 121.300 -0.098 0.000 2.338 1173 W HA -0.203 4.460 4.660 0.005 0.000 0.304 1173 W C 2.444 178.957 176.519 -0.011 0.000 1.212 1173 W CA 1.724 59.062 57.345 -0.013 0.000 1.264 1173 W CB 0.032 29.567 29.460 0.125 0.000 1.142 1173 W HN 0.106 nan 8.180 nan 0.000 0.512 1174 E N 0.018 120.384 120.200 0.277 0.000 2.072 1174 E HA -0.242 4.111 4.350 0.005 0.000 0.191 1174 E C 2.114 178.705 176.600 -0.016 0.000 0.985 1174 E CA 1.789 58.282 56.400 0.154 0.000 0.801 1174 E CB -0.508 29.380 29.700 0.313 0.000 0.750 1174 E HN 0.357 nan 8.360 nan 0.000 0.452 1175 I N 1.241 121.811 120.570 0.000 0.000 2.163 1175 I HA -0.286 3.887 4.170 0.005 0.000 0.243 1175 I C 2.502 178.553 176.117 -0.110 0.000 1.085 1175 I CA 1.161 62.442 61.300 -0.032 0.000 1.347 1175 I CB -0.293 37.694 38.000 -0.022 0.000 1.044 1175 I HN 0.075 nan 8.210 nan 0.000 0.408 1176 A N 0.116 122.832 122.820 -0.174 0.000 2.067 1176 A HA -0.139 4.184 4.320 0.005 0.000 0.219 1176 A C 2.108 179.502 177.584 -0.317 0.000 1.158 1176 A CA 1.897 53.800 52.037 -0.225 0.000 0.661 1176 A CB -0.812 18.052 19.000 -0.226 0.000 0.801 1176 A HN 0.540 nan 8.150 nan 0.000 0.452 1177 T N -3.529 110.761 114.554 -0.441 0.000 3.092 1177 T HA 0.448 4.801 4.350 0.005 0.000 0.258 1177 T C 0.426 174.954 174.700 -0.287 0.000 1.031 1177 T CA 0.048 61.860 62.100 -0.480 0.000 0.925 1177 T CB -0.573 67.755 68.868 -0.901 0.000 1.036 1177 T HN 0.527 nan 8.240 nan 0.000 0.544 1178 L N 0.698 121.803 121.223 -0.196 0.000 3.677 1178 L HA -0.236 4.107 4.340 0.005 0.000 0.464 1178 L C 0.837 177.658 176.870 -0.081 0.000 1.278 1178 L CA 0.144 54.912 54.840 -0.119 0.000 0.806 1178 L CB -2.475 39.515 42.059 -0.115 0.000 1.610 1178 L HN 0.787 nan 8.230 nan 0.000 0.867 1179 A N -0.339 122.449 122.820 -0.054 0.000 2.734 1179 A HA -0.206 4.117 4.320 0.005 0.000 0.296 1179 A C 0.558 178.166 177.584 0.041 0.000 1.474 1179 A CA 1.412 53.475 52.037 0.044 0.000 0.735 1179 A CB -1.097 17.951 19.000 0.080 0.000 1.062 1179 A HN 0.714 nan 8.150 nan 0.000 0.463 1180 E N -0.075 120.101 120.200 -0.041 0.000 2.392 1180 E HA 0.317 4.670 4.350 0.005 0.000 0.259 1180 E C 0.614 177.366 176.600 0.253 0.000 1.108 1180 E CA -0.313 56.107 56.400 0.033 0.000 0.916 1180 E CB 0.375 29.997 29.700 -0.130 0.000 0.989 1180 E HN 0.584 nan 8.360 nan 0.000 0.432 1181 Q N 3.174 123.107 119.800 0.222 0.000 2.286 1181 Q HA 0.148 4.491 4.340 0.005 0.000 0.267 1181 Q C -2.192 173.889 176.000 0.134 0.000 1.028 1181 Q CA -1.858 54.066 55.803 0.200 0.000 0.901 1181 Q CB 0.668 29.487 28.738 0.136 0.000 1.183 1181 Q HN 0.226 nan 8.270 nan 0.000 0.392 1182 P HA -0.095 nan 4.420 nan 0.000 0.265 1182 P C -1.296 175.694 177.300 -0.515 0.000 1.193 1182 P CA 0.411 63.040 63.100 -0.785 0.000 0.765 1182 P CB 0.096 31.158 31.700 -1.065 0.000 0.823 1183 Y N 0.133 120.176 120.300 -0.428 0.000 3.168 1183 Y HA -0.272 4.281 4.550 0.005 0.000 0.207 1183 Y C 1.908 177.696 175.900 -0.188 0.000 1.280 1183 Y CA 0.408 58.316 58.100 -0.321 0.000 1.235 1183 Y CB -2.693 35.569 38.460 -0.330 0.000 1.370 1183 Y HN 0.409 nan 8.280 nan 0.000 0.537 1184 Q N 0.975 120.753 119.800 -0.036 0.000 2.165 1184 Q HA -0.228 4.115 4.340 0.005 0.000 0.215 1184 Q C 2.118 178.119 176.000 0.001 0.000 1.010 1184 Q CA 2.349 58.163 55.803 0.018 0.000 0.896 1184 Q CB -0.557 28.214 28.738 0.054 0.000 0.956 1184 Q HN 0.817 nan 8.270 nan 0.000 0.413 1185 G N -0.882 107.901 108.800 -0.029 0.000 3.189 1185 G HA2 0.326 4.289 3.960 0.005 0.000 0.225 1185 G HA3 0.326 4.289 3.960 0.005 0.000 0.225 1185 G C 0.188 175.055 174.900 -0.055 0.000 1.159 1185 G CA -0.297 44.781 45.100 -0.037 0.000 0.763 1185 G HN 0.174 nan 8.290 nan 0.000 0.549 1186 L N 1.389 122.573 121.223 -0.064 0.000 2.346 1186 L HA 0.456 4.799 4.340 0.005 0.000 0.274 1186 L C 0.780 177.620 176.870 -0.050 0.000 1.007 1186 L CA -0.945 53.843 54.840 -0.087 0.000 0.818 1186 L CB 2.113 44.072 42.059 -0.168 0.000 1.284 1186 L HN 0.121 nan 8.230 nan 0.000 0.424 1187 S N 0.808 116.480 115.700 -0.046 0.000 2.606 1187 S HA 0.128 4.601 4.470 0.005 0.000 0.257 1187 S C 0.837 175.416 174.600 -0.034 0.000 1.327 1187 S CA -0.492 57.692 58.200 -0.027 0.000 0.984 1187 S CB 0.613 63.799 63.200 -0.024 0.000 0.941 1187 S HN 0.647 nan 8.310 nan 0.000 0.576 1188 N N 0.834 119.524 118.700 -0.017 0.000 2.188 1188 N HA -0.094 4.649 4.740 0.005 0.000 0.184 1188 N C 1.566 177.053 175.510 -0.038 0.000 1.018 1188 N CA 1.342 54.381 53.050 -0.018 0.000 0.858 1188 N CB -0.622 37.868 38.487 0.005 0.000 0.989 1188 N HN 0.775 nan 8.380 nan 0.000 0.426 1189 E N 1.308 121.488 120.200 -0.034 0.000 2.106 1189 E HA -0.065 4.288 4.350 0.005 0.000 0.192 1189 E C 1.771 178.344 176.600 -0.045 0.000 0.984 1189 E CA 1.021 57.399 56.400 -0.036 0.000 0.806 1189 E CB -0.004 29.680 29.700 -0.027 0.000 0.750 1189 E HN 0.401 nan 8.360 nan 0.000 0.458 1190 Q N -0.628 119.142 119.800 -0.051 0.000 2.167 1190 Q HA -0.083 4.260 4.340 0.005 0.000 0.202 1190 Q C 2.182 178.133 176.000 -0.080 0.000 0.970 1190 Q CA 1.264 57.033 55.803 -0.057 0.000 0.855 1190 Q CB 0.112 28.807 28.738 -0.072 0.000 0.911 1190 Q HN 0.188 nan 8.270 nan 0.000 0.438 1191 V N 1.194 121.025 119.914 -0.139 0.000 2.358 1191 V HA -0.253 3.871 4.120 0.005 0.000 0.246 1191 V C 2.195 178.171 176.094 -0.197 0.000 1.047 1191 V CA 1.437 63.582 62.300 -0.259 0.000 1.035 1191 V CB -0.484 31.158 31.823 -0.302 0.000 0.658 1191 V HN 0.324 nan 8.190 nan 0.000 0.452 1192 L N -0.443 120.703 121.223 -0.128 0.000 1.990 1192 L HA -0.240 4.103 4.340 0.005 0.000 0.213 1192 L C 2.779 179.595 176.870 -0.089 0.000 1.072 1192 L CA 2.081 56.855 54.840 -0.110 0.000 0.755 1192 L CB -0.677 41.336 42.059 -0.078 0.000 0.889 1192 L HN 0.260 nan 8.230 nan 0.000 0.432 1193 R N -0.217 120.255 120.500 -0.047 0.000 2.075 1193 R HA -0.230 4.113 4.340 0.005 0.000 0.230 1193 R C 2.470 178.771 176.300 0.002 0.000 1.140 1193 R CA 2.113 58.202 56.100 -0.019 0.000 0.928 1193 R CB -0.675 29.627 30.300 0.003 0.000 0.834 1193 R HN 0.174 nan 8.270 nan 0.000 0.429 1194 F N 1.229 121.096 119.950 -0.139 0.000 2.063 1194 F HA -0.309 4.221 4.527 0.005 0.000 0.298 1194 F C 2.177 177.896 175.800 -0.135 0.000 1.105 1194 F CA 2.100 60.016 58.000 -0.139 0.000 1.215 1194 F CB -0.518 38.367 39.000 -0.192 0.000 0.972 1194 F HN -0.133 nan 8.300 nan 0.000 0.483 1195 V N 0.324 120.148 119.914 -0.149 0.000 2.379 1195 V HA -0.315 3.808 4.120 0.005 0.000 0.245 1195 V C 2.403 178.400 176.094 -0.162 0.000 1.044 1195 V CA 2.083 64.253 62.300 -0.216 0.000 1.036 1195 V CB -0.586 31.085 31.823 -0.253 0.000 0.664 1195 V HN 0.389 nan 8.190 nan 0.000 0.453 1196 M N -0.512 119.009 119.600 -0.132 0.000 2.460 1196 M HA -0.129 4.355 4.480 0.005 0.000 0.263 1196 M C 1.498 177.847 176.300 0.081 0.000 1.071 1196 M CA 1.420 56.691 55.300 -0.048 0.000 1.096 1196 M CB -0.265 32.291 32.600 -0.074 0.000 1.408 1196 M HN 0.391 nan 8.290 nan 0.000 0.463 1197 E N -0.397 119.790 120.200 -0.021 0.000 2.419 1197 E HA 0.162 4.515 4.350 0.005 0.000 0.190 1197 E C 0.946 177.479 176.600 -0.112 0.000 1.040 1197 E CA 0.124 56.482 56.400 -0.071 0.000 0.900 1197 E CB 0.269 29.906 29.700 -0.105 0.000 1.054 1197 E HN 0.611 nan 8.360 nan 0.000 0.462 1198 G N 1.113 109.936 108.800 0.038 0.000 2.159 1198 G HA2 -0.259 3.704 3.960 0.005 0.000 0.256 1198 G HA3 -0.259 3.704 3.960 0.005 0.000 0.256 1198 G C 0.548 175.358 174.900 -0.150 0.000 0.977 1198 G CA -0.248 44.889 45.100 0.061 0.000 0.652 1198 G HN 0.474 nan 8.290 nan 0.000 0.531 1199 G N -0.524 107.976 108.800 -0.501 0.000 2.491 1199 G HA2 0.560 4.523 3.960 0.005 0.000 0.242 1199 G HA3 0.560 4.523 3.960 0.005 0.000 0.242 1199 G C -0.015 174.573 174.900 -0.520 0.000 1.266 1199 G CA -0.041 44.383 45.100 -1.127 0.000 0.844 1199 G HN 0.759 nan 8.290 nan 0.000 0.571 1200 L N 0.606 121.707 121.223 -0.204 0.000 2.350 1200 L HA 0.414 4.758 4.340 0.005 0.000 0.260 1200 L C -0.030 176.875 176.870 0.059 0.000 1.015 1200 L CA -1.022 53.787 54.840 -0.052 0.000 0.821 1200 L CB 2.201 44.246 42.059 -0.023 0.000 1.370 1200 L HN 0.320 nan 8.230 nan 0.000 0.416 1201 L N 1.520 122.502 121.223 -0.401 0.000 2.456 1201 L HA 0.088 4.431 4.340 0.005 0.000 0.272 1201 L C -0.098 176.736 176.870 -0.061 0.000 1.189 1201 L CA -0.295 54.223 54.840 -0.537 0.000 0.846 1201 L CB 0.193 41.424 42.059 -1.380 0.000 1.111 1201 L HN 0.476 nan 8.230 nan 0.000 0.475 1202 D N 2.249 122.691 120.400 0.071 0.000 2.449 1202 D HA 0.028 4.671 4.640 0.005 0.000 0.236 1202 D C 0.018 176.550 176.300 0.386 0.000 1.149 1202 D CA -0.016 54.118 54.000 0.222 0.000 0.878 1202 D CB 0.646 41.566 40.800 0.200 0.000 1.198 1202 D HN 0.320 nan 8.370 nan 0.000 0.446 1203 K N 1.175 121.734 120.400 0.265 0.000 2.339 1203 K HA 0.403 4.726 4.320 0.005 0.000 0.286 1203 K C -2.643 174.042 176.600 0.141 0.000 1.050 1203 K CA -1.233 55.194 56.287 0.234 0.000 0.956 1203 K CB 0.015 32.600 32.500 0.141 0.000 0.990 1203 K HN 0.004 nan 8.250 nan 0.000 0.475 1204 P HA 0.017 nan 4.420 nan 0.000 0.269 1204 P C -0.897 176.362 177.300 -0.068 0.000 1.215 1204 P CA -0.176 62.857 63.100 -0.112 0.000 0.780 1204 P CB 0.400 31.933 31.700 -0.279 0.000 0.898 1205 D N 1.731 122.083 120.400 -0.080 0.000 2.455 1205 D HA -0.014 4.629 4.640 0.005 0.000 0.241 1205 D C 0.463 176.724 176.300 -0.066 0.000 1.138 1205 D CA 0.401 54.367 54.000 -0.057 0.000 0.877 1205 D CB -0.477 40.289 40.800 -0.057 0.000 1.187 1205 D HN 0.402 nan 8.370 nan 0.000 0.451 1206 N N -0.466 118.206 118.700 -0.047 0.000 2.708 1206 N HA -0.223 4.521 4.740 0.005 0.000 0.249 1206 N C -0.404 175.072 175.510 -0.056 0.000 1.097 1206 N CA 0.158 53.180 53.050 -0.047 0.000 0.710 1206 N CB -1.316 37.142 38.487 -0.048 0.000 1.032 1206 N HN 0.384 nan 8.380 nan 0.000 0.551 1207 C N 1.777 121.042 119.300 -0.058 0.000 2.482 1207 C HA 0.294 4.757 4.460 0.005 0.000 0.378 1207 C C -1.550 173.410 174.990 -0.050 0.000 1.284 1207 C CA -1.950 57.028 59.018 -0.066 0.000 1.826 1207 C CB -0.274 27.424 27.740 -0.070 0.000 2.473 1207 C HN 0.308 nan 8.230 nan 0.000 0.562 1208 P HA 0.067 nan 4.420 nan 0.000 0.265 1208 P C 0.210 177.484 177.300 -0.044 0.000 1.187 1208 P CA 0.558 63.632 63.100 -0.044 0.000 0.766 1208 P CB 0.638 32.311 31.700 -0.046 0.000 0.820 1209 D N 1.611 121.990 120.400 -0.035 0.000 2.149 1209 D HA -0.185 4.459 4.640 0.005 0.000 0.198 1209 D C 1.907 178.182 176.300 -0.042 0.000 0.990 1209 D CA 1.334 55.314 54.000 -0.033 0.000 0.839 1209 D CB -0.381 40.404 40.800 -0.024 0.000 0.948 1209 D HN 0.431 nan 8.370 nan 0.000 0.460 1210 M N -0.132 119.443 119.600 -0.042 0.000 2.117 1210 M HA -0.151 4.332 4.480 0.005 0.000 0.262 1210 M C 1.536 177.799 176.300 -0.062 0.000 1.065 1210 M CA 1.455 56.728 55.300 -0.046 0.000 1.114 1210 M CB 0.056 32.632 32.600 -0.040 0.000 1.361 1210 M HN 0.052 nan 8.290 nan 0.000 0.408 1211 L N -0.123 121.056 121.223 -0.073 0.000 2.179 1211 L HA -0.122 4.221 4.340 0.005 0.000 0.208 1211 L C 2.291 179.081 176.870 -0.134 0.000 1.096 1211 L CA 0.555 55.333 54.840 -0.103 0.000 0.779 1211 L CB -0.467 41.531 42.059 -0.103 0.000 0.922 1211 L HN 0.362 nan 8.230 nan 0.000 0.443 1212 L N -0.355 120.808 121.223 -0.100 0.000 2.046 1212 L HA -0.235 4.108 4.340 0.005 0.000 0.208 1212 L C 2.502 179.299 176.870 -0.121 0.000 1.077 1212 L CA 1.424 56.207 54.840 -0.096 0.000 0.747 1212 L CB -0.327 41.705 42.059 -0.044 0.000 0.896 1212 L HN 0.281 nan 8.230 nan 0.000 0.432 1213 E N -0.140 120.004 120.200 -0.093 0.000 2.077 1213 E HA -0.222 4.131 4.350 0.005 0.000 0.193 1213 E C 2.325 178.852 176.600 -0.121 0.000 0.989 1213 E CA 1.033 57.382 56.400 -0.084 0.000 0.800 1213 E CB -0.054 29.614 29.700 -0.053 0.000 0.746 1213 E HN 0.407 nan 8.360 nan 0.000 0.452 1214 L N 0.098 121.240 121.223 -0.134 0.000 2.027 1214 L HA -0.194 4.149 4.340 0.005 0.000 0.206 1214 L C 2.504 179.191 176.870 -0.304 0.000 1.074 1214 L CA 1.006 55.762 54.840 -0.141 0.000 0.745 1214 L CB -0.257 41.760 42.059 -0.071 0.000 0.898 1214 L HN 0.254 nan 8.230 nan 0.000 0.433 1215 M N -0.904 118.406 119.600 -0.483 0.000 2.082 1215 M HA -0.269 4.214 4.480 0.005 0.000 0.258 1215 M C 2.439 178.115 176.300 -1.039 0.000 1.069 1215 M CA 1.882 56.558 55.300 -1.039 0.000 1.102 1215 M CB -0.464 31.455 32.600 -1.135 0.000 1.336 1215 M HN 0.133 nan 8.290 nan 0.000 0.404 1216 R N -0.002 120.204 120.500 -0.490 0.000 2.081 1216 R HA -0.084 4.259 4.340 0.005 0.000 0.235 1216 R C 2.194 178.418 176.300 -0.127 0.000 1.131 1216 R CA 1.570 57.554 56.100 -0.193 0.000 0.960 1216 R CB -0.358 29.904 30.300 -0.064 0.000 0.856 1216 R HN 0.453 nan 8.270 nan 0.000 0.436 1217 M N -0.300 119.214 119.600 -0.144 0.000 2.117 1217 M HA -0.194 4.289 4.480 0.005 0.000 0.262 1217 M C 2.388 178.646 176.300 -0.070 0.000 1.065 1217 M CA 1.313 56.569 55.300 -0.073 0.000 1.114 1217 M CB -0.565 31.999 32.600 -0.061 0.000 1.361 1217 M HN 0.220 nan 8.290 nan 0.000 0.408 1218 C N -0.603 118.578 119.300 -0.199 0.000 2.432 1218 C HA -0.105 4.358 4.460 0.005 0.000 0.280 1218 C C 1.590 176.555 174.990 -0.041 0.000 1.353 1218 C CA 0.179 59.101 59.018 -0.160 0.000 1.766 1218 C CB -0.970 26.590 27.740 -0.301 0.000 1.924 1218 C HN 0.657 nan 8.230 nan 0.000 0.509 1219 W N 0.993 122.146 121.300 -0.245 0.000 3.151 1219 W HA 0.323 4.986 4.660 0.005 0.000 0.424 1219 W C 0.303 176.851 176.519 0.048 0.000 1.012 1219 W CA -0.728 56.359 57.345 -0.431 0.000 2.018 1219 W CB -1.115 27.959 29.460 -0.643 0.000 1.087 1219 W HN 0.351 nan 8.180 nan 0.000 0.740 1220 Q N 0.204 120.185 119.800 0.302 0.000 2.311 1220 Q HA -0.081 4.263 4.340 0.005 0.000 0.272 1220 Q C 1.060 177.286 176.000 0.378 0.000 1.012 1220 Q CA 0.074 56.044 55.803 0.279 0.000 0.891 1220 Q CB 0.844 29.683 28.738 0.168 0.000 1.201 1220 Q HN 0.346 nan 8.270 nan 0.000 0.391 1221 Y N 2.886 123.320 120.300 0.223 0.000 2.165 1221 Y HA -0.228 4.325 4.550 0.006 0.000 0.286 1221 Y C 1.016 176.963 175.900 0.078 0.000 1.155 1221 Y CA 1.442 59.637 58.100 0.158 0.000 1.164 1221 Y CB 0.414 38.913 38.460 0.066 0.000 0.978 1221 Y HN 0.573 nan 8.280 nan 0.000 0.513 1222 N N 1.280 120.123 118.700 0.237 0.000 2.401 1222 N HA 0.035 4.778 4.740 0.005 0.000 0.255 1222 N C -1.983 173.536 175.510 0.014 0.000 1.110 1222 N CA -1.576 51.535 53.050 0.100 0.000 0.949 1222 N CB 1.171 39.706 38.487 0.081 0.000 1.110 1222 N HN 0.093 nan 8.380 nan 0.000 0.490 1223 P HA -0.187 nan 4.420 nan 0.000 0.217 1223 P C 0.677 177.787 177.300 -0.317 0.000 1.151 1223 P CA 1.431 64.452 63.100 -0.132 0.000 0.849 1223 P CB 0.378 31.951 31.700 -0.211 0.000 0.787 1224 K N -1.292 118.890 120.400 -0.363 0.000 2.439 1224 K HA 0.085 4.408 4.320 0.005 0.000 0.197 1224 K C 1.707 178.230 176.600 -0.128 0.000 1.041 1224 K CA 0.689 56.765 56.287 -0.351 0.000 0.970 1224 K CB -0.232 32.116 32.500 -0.253 0.000 0.773 1224 K HN 0.267 nan 8.250 nan 0.000 0.479 1225 M N 0.363 119.928 119.600 -0.058 0.000 2.441 1225 M HA 0.066 4.549 4.480 0.005 0.000 0.244 1225 M C 0.267 176.585 176.300 0.029 0.000 1.122 1225 M CA 0.276 55.577 55.300 0.002 0.000 1.041 1225 M CB 0.005 32.621 32.600 0.027 0.000 1.438 1225 M HN -0.065 nan 8.290 nan 0.000 0.484 1226 R N 1.708 122.234 120.500 0.044 0.000 2.490 1226 R HA 0.286 4.630 4.340 0.005 0.000 0.278 1226 R C -2.121 174.201 176.300 0.036 0.000 1.069 1226 R CA -1.408 54.727 56.100 0.060 0.000 1.080 1226 R CB -0.156 30.213 30.300 0.114 0.000 1.030 1226 R HN 0.027 nan 8.270 nan 0.000 0.491 1227 P HA -0.007 nan 4.420 nan 0.000 0.274 1227 P C -0.433 176.826 177.300 -0.067 0.000 1.237 1227 P CA -0.361 62.728 63.100 -0.019 0.000 0.793 1227 P CB 0.895 32.575 31.700 -0.034 0.000 0.977 1228 S N 0.460 116.138 115.700 -0.035 0.000 2.608 1228 S HA 0.159 4.632 4.470 0.005 0.000 0.261 1228 S C 1.058 175.575 174.600 -0.137 0.000 1.314 1228 S CA -0.234 57.920 58.200 -0.076 0.000 0.992 1228 S CB -0.192 63.031 63.200 0.039 0.000 0.935 1228 S HN 0.228 nan 8.310 nan 0.000 0.564 1229 F N 0.192 120.129 119.950 -0.020 0.000 2.186 1229 F HA 0.092 4.623 4.527 0.006 0.000 0.299 1229 F C 2.071 177.867 175.800 -0.007 0.000 1.090 1229 F CA 0.802 58.747 58.000 -0.093 0.000 1.307 1229 F CB -0.721 38.219 39.000 -0.100 0.000 1.019 1229 F HN 0.439 nan 8.300 nan 0.000 0.489 1230 L N -0.434 120.950 121.223 0.267 0.000 2.083 1230 L HA -0.208 4.135 4.340 0.005 0.000 0.209 1230 L C 2.230 179.227 176.870 0.213 0.000 1.083 1230 L CA 1.440 56.452 54.840 0.286 0.000 0.752 1230 L CB -0.555 41.649 42.059 0.242 0.000 0.899 1230 L HN 0.164 nan 8.230 nan 0.000 0.433 1231 E N 0.063 120.334 120.200 0.118 0.000 2.107 1231 E HA -0.180 4.173 4.350 0.005 0.000 0.191 1231 E C 2.264 178.880 176.600 0.027 0.000 0.982 1231 E CA 0.899 57.340 56.400 0.069 0.000 0.809 1231 E CB -0.001 29.723 29.700 0.041 0.000 0.756 1231 E HN 0.458 nan 8.360 nan 0.000 0.459 1232 I N 0.920 121.493 120.570 0.005 0.000 2.226 1232 I HA -0.284 3.889 4.170 0.005 0.000 0.245 1232 I C 2.216 178.307 176.117 -0.043 0.000 1.100 1232 I CA 1.128 62.421 61.300 -0.012 0.000 1.374 1232 I CB -0.112 37.862 38.000 -0.042 0.000 1.057 1232 I HN 0.110 nan 8.210 nan 0.000 0.413 1233 I N -0.613 119.908 120.570 -0.082 0.000 2.202 1233 I HA -0.290 3.883 4.170 0.005 0.000 0.242 1233 I C 2.720 178.621 176.117 -0.360 0.000 1.091 1233 I CA 1.118 62.259 61.300 -0.265 0.000 1.368 1233 I CB -0.435 37.328 38.000 -0.394 0.000 1.058 1233 I HN 0.144 nan 8.210 nan 0.000 0.410 1234 S N 0.628 116.194 115.700 -0.223 0.000 2.380 1234 S HA -0.236 4.237 4.470 0.005 0.000 0.229 1234 S C 2.155 176.728 174.600 -0.045 0.000 1.043 1234 S CA 2.149 60.315 58.200 -0.058 0.000 1.038 1234 S CB -0.333 62.935 63.200 0.114 0.000 0.872 1234 S HN 0.629 nan 8.310 nan 0.000 0.456 1235 S N 0.701 116.375 115.700 -0.043 0.000 2.522 1235 S HA 0.097 4.570 4.470 0.005 0.000 0.227 1235 S C 1.354 175.926 174.600 -0.046 0.000 0.986 1235 S CA 0.561 58.744 58.200 -0.028 0.000 0.929 1235 S CB -0.569 62.622 63.200 -0.015 0.000 0.769 1235 S HN 0.792 nan 8.310 nan 0.000 0.529 1236 I N -1.921 118.597 120.570 -0.087 0.000 4.225 1236 I HA 0.385 4.558 4.170 0.005 0.000 0.327 1236 I C 1.483 177.515 176.117 -0.142 0.000 1.422 1236 I CA -0.581 60.660 61.300 -0.100 0.000 1.150 1236 I CB 0.147 38.088 38.000 -0.098 0.000 1.192 1236 I HN 0.094 nan 8.210 nan 0.000 0.440 1237 K N 1.313 121.628 120.400 -0.141 0.000 2.209 1237 K HA -0.073 4.250 4.320 0.005 0.000 0.204 1237 K C 1.043 177.633 176.600 -0.015 0.000 1.048 1237 K CA 1.339 57.560 56.287 -0.110 0.000 0.940 1237 K CB -0.292 32.186 32.500 -0.036 0.000 0.729 1237 K HN 0.368 nan 8.250 nan 0.000 0.451 1238 E N 1.418 121.615 120.200 -0.006 0.000 2.338 1238 E HA -0.133 4.220 4.350 0.005 0.000 0.197 1238 E C 1.238 177.827 176.600 -0.019 0.000 1.007 1238 E CA 0.817 57.222 56.400 0.007 0.000 0.849 1238 E CB -0.027 29.678 29.700 0.009 0.000 0.774 1238 E HN 0.506 nan 8.360 nan 0.000 0.506 1239 E N -0.071 120.097 120.200 -0.053 0.000 2.472 1239 E HA 0.094 4.447 4.350 0.005 0.000 0.196 1239 E C 0.677 177.226 176.600 -0.085 0.000 1.033 1239 E CA 0.071 56.434 56.400 -0.062 0.000 0.886 1239 E CB 0.191 29.850 29.700 -0.067 0.000 0.944 1239 E HN 0.191 nan 8.360 nan 0.000 0.492 1240 M N 0.978 120.506 119.600 -0.120 0.000 2.255 1240 M HA 0.173 4.656 4.480 0.005 0.000 0.336 1240 M C 0.556 176.837 176.300 -0.031 0.000 1.135 1240 M CA -0.309 54.896 55.300 -0.158 0.000 1.145 1240 M CB 0.245 32.604 32.600 -0.402 0.000 1.473 1240 M HN -0.144 nan 8.290 nan 0.000 0.462 1241 E N 2.228 122.437 120.200 0.014 0.000 2.502 1241 E HA -0.060 4.294 4.350 0.005 0.000 0.261 1241 E C -1.496 175.166 176.600 0.103 0.000 0.974 1241 E CA -1.126 55.313 56.400 0.066 0.000 0.936 1241 E CB 0.099 29.860 29.700 0.102 0.000 0.926 1241 E HN 0.356 nan 8.360 nan 0.000 0.459 1242 P HA -0.214 nan 4.420 nan 0.000 0.217 1242 P C 1.301 178.633 177.300 0.054 0.000 1.148 1242 P CA 1.472 64.595 63.100 0.040 0.000 0.834 1242 P CB 0.075 31.784 31.700 0.015 0.000 0.783 1243 G N -1.103 107.747 108.800 0.082 0.000 2.442 1243 G HA2 -0.299 3.664 3.960 0.005 0.000 0.219 1243 G HA3 -0.299 3.664 3.960 0.005 0.000 0.219 1243 G C 1.369 176.340 174.900 0.118 0.000 1.141 1243 G CA 0.303 45.448 45.100 0.075 0.000 0.763 1243 G HN 0.202 nan 8.290 nan 0.000 0.554 1244 F N 1.669 121.655 119.950 0.060 0.000 2.147 1244 F HA -0.195 4.335 4.527 0.005 0.000 0.301 1244 F C 2.630 178.520 175.800 0.150 0.000 1.084 1244 F CA 2.069 60.155 58.000 0.144 0.000 1.268 1244 F CB -0.088 39.009 39.000 0.161 0.000 1.009 1244 F HN 0.152 nan 8.300 nan 0.000 0.486 1245 R N -0.074 120.461 120.500 0.059 0.000 2.152 1245 R HA -0.215 4.129 4.340 0.005 0.000 0.232 1245 R C 1.996 178.216 176.300 -0.132 0.000 1.117 1245 R CA 1.796 57.755 56.100 -0.236 0.000 0.981 1245 R CB -0.286 29.721 30.300 -0.488 0.000 0.870 1245 R HN 0.323 nan 8.270 nan 0.000 0.451 1246 E N -0.356 119.783 120.200 -0.101 0.000 2.216 1246 E HA -0.066 4.287 4.350 0.005 0.000 0.192 1246 E C 1.667 178.184 176.600 -0.138 0.000 0.973 1246 E CA 1.065 57.404 56.400 -0.101 0.000 0.851 1246 E CB 0.510 30.156 29.700 -0.090 0.000 0.804 1246 E HN 0.290 nan 8.360 nan 0.000 0.477 1247 V N -1.558 118.239 119.914 -0.195 0.000 3.431 1247 V HA 0.259 4.382 4.120 0.005 0.000 0.253 1247 V C 1.023 176.986 176.094 -0.218 0.000 1.184 1247 V CA 0.227 62.341 62.300 -0.310 0.000 1.104 1247 V CB -0.351 31.074 31.823 -0.663 0.000 0.799 1247 V HN 0.177 nan 8.190 nan 0.000 0.462 1248 S N 0.181 115.738 115.700 -0.238 0.000 2.585 1248 S HA 0.281 4.754 4.470 0.005 0.000 0.273 1248 S C 0.669 175.278 174.600 0.015 0.000 1.339 1248 S CA 0.185 58.259 58.200 -0.210 0.000 1.028 1248 S CB 0.743 63.325 63.200 -1.031 0.000 0.906 1248 S HN 0.500 nan 8.310 nan 0.000 0.528 1249 F N 2.159 122.123 119.950 0.023 0.000 2.206 1249 F HA -0.009 4.522 4.527 0.005 0.000 0.298 1249 F C 1.880 177.735 175.800 0.092 0.000 1.090 1249 F CA 1.055 59.109 58.000 0.090 0.000 1.323 1249 F CB -0.741 38.380 39.000 0.202 0.000 1.028 1249 F HN 0.809 nan 8.300 nan 0.000 0.492 1250 Y N 0.388 120.535 120.300 -0.255 0.000 2.040 1250 Y HA -0.362 4.191 4.550 0.005 0.000 0.275 1250 Y C 1.784 177.421 175.900 -0.439 0.000 1.171 1250 Y CA 2.495 60.360 58.100 -0.392 0.000 1.123 1250 Y CB -1.103 37.262 38.460 -0.160 0.000 0.963 1250 Y HN 0.165 nan 8.280 nan 0.000 0.493 1251 Y N 0.534 120.787 120.300 -0.079 0.000 2.529 1251 Y HA 0.074 4.627 4.550 0.005 0.000 0.290 1251 Y C 1.512 177.314 175.900 -0.162 0.000 1.177 1251 Y CA 0.033 58.060 58.100 -0.121 0.000 1.305 1251 Y CB -0.398 38.071 38.460 0.015 0.000 1.047 1251 Y HN 0.055 nan 8.280 nan 0.000 0.522 1252 S N -0.354 115.293 115.700 -0.089 0.000 2.608 1252 S HA -0.030 4.443 4.470 0.005 0.000 0.261 1252 S C 1.363 175.916 174.600 -0.079 0.000 1.314 1252 S CA -0.267 57.902 58.200 -0.052 0.000 0.992 1252 S CB 1.309 64.513 63.200 0.006 0.000 0.935 1252 S HN 0.433 nan 8.310 nan 0.000 0.564 1253 E N 0.595 120.784 120.200 -0.019 0.000 2.110 1253 E HA -0.195 4.158 4.350 0.005 0.000 0.193 1253 E C 1.809 178.406 176.600 -0.005 0.000 0.988 1253 E CA 1.808 58.201 56.400 -0.012 0.000 0.804 1253 E CB -0.375 29.332 29.700 0.013 0.000 0.745 1253 E HN 0.796 nan 8.360 nan 0.000 0.458 1254 E N 0.084 120.313 120.200 0.049 0.000 2.097 1254 E HA -0.199 4.154 4.350 0.005 0.000 0.196 1254 E C 0.702 177.329 176.600 0.046 0.000 1.000 1254 E CA 0.878 57.355 56.400 0.129 0.000 0.804 1254 E CB -0.137 29.769 29.700 0.344 0.000 0.740 1254 E HN 0.189 nan 8.360 nan 0.000 0.454 1255 N N 0.000 118.571 118.700 -0.215 0.000 1.763 1255 N HA 0.000 4.743 4.740 0.005 0.000 0.220 1255 N CA 0.000 52.809 53.050 -0.402 0.000 0.885 1255 N CB 0.000 37.933 38.487 -0.923 0.000 1.341 1255 N HN 0.000 nan 8.380 nan 0.000 0.667