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 1p4o_1_A DATA FIRST_RESID 948 DATA SEQUENCE PEYFSAADVY VPDEWEVARE KITMSRELGQ GSFGMVYEGV AKGVVKDEPE DATA SEQUENCE TRVAIKTVNE AASMRERIEF LNEASVMKEF NCHHVVRLLG VVSQGQPTLV DATA SEQUENCE IMELMTRGDL KSYLRSLRPA MANNPVLAPP SLSKMIQMAG EIADGMAYLN DATA SEQUENCE ANKFVHRDLA ARNCMVAEDF TVKIGDFGMT RDIYETDYYR KGGKGLLPVR DATA SEQUENCE WMSPESLKDG VFTTYSDVWS FGVVLWEIAT LAEQPYQGLS NEQVLRFVME DATA SEQUENCE GGLLDKPDNC PDMLFELMRM CWQYNPKMRP SFLEIISSIK EEMEPGFREV DATA SEQUENCE SFYYSEEN 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 948 P HA 0.000 nan 4.420 nan 0.000 0.216 948 P C 0.000 177.332 177.300 0.053 0.000 1.155 948 P CA 0.000 63.137 63.100 0.062 0.000 0.800 948 P CB 0.000 31.747 31.700 0.079 0.000 0.726 949 E N -0.126 120.110 120.200 0.059 0.000 2.717 949 E HA 0.052 4.402 4.350 -0.001 0.000 0.204 949 E C 0.996 177.610 176.600 0.023 0.000 0.911 949 E CA 0.119 56.542 56.400 0.038 0.000 1.370 949 E CB -0.323 29.398 29.700 0.035 0.000 1.315 949 E HN 0.412 nan 8.360 nan 0.000 0.643 950 Y N 0.028 120.247 120.300 -0.135 0.000 2.145 950 Y HA 0.157 4.706 4.550 -0.001 0.000 0.286 950 Y C -0.045 175.643 175.900 -0.354 0.000 1.145 950 Y CA 1.437 59.351 58.100 -0.310 0.000 1.148 950 Y CB 0.257 38.426 38.460 -0.484 0.000 0.981 950 Y HN -0.049 nan 8.280 nan 0.000 0.507 951 F N 0.440 120.438 119.950 0.081 0.000 2.427 951 F HA 0.386 4.913 4.527 -0.000 0.000 0.348 951 F C 0.087 175.891 175.800 0.006 0.000 1.125 951 F CA -0.714 57.290 58.000 0.006 0.000 0.989 951 F CB 1.283 40.320 39.000 0.062 0.000 1.165 951 F HN -0.200 nan 8.300 nan 0.000 0.442 952 S N 2.084 117.879 115.700 0.158 0.000 2.732 952 S HA 0.901 5.370 4.470 -0.001 0.000 0.293 952 S C -0.595 174.038 174.600 0.054 0.000 1.159 952 S CA -1.094 57.157 58.200 0.084 0.000 0.847 952 S CB 1.504 64.730 63.200 0.043 0.000 1.169 952 S HN 0.697 nan 8.310 nan 0.000 0.501 953 A N 0.434 123.273 122.820 0.031 0.000 2.351 953 A HA 0.740 5.060 4.320 -0.001 0.000 0.257 953 A C 0.685 178.276 177.584 0.012 0.000 1.087 953 A CA -0.137 51.909 52.037 0.015 0.000 0.798 953 A CB -0.523 18.480 19.000 0.005 0.000 1.033 953 A HN 1.603 nan 8.150 nan 0.000 0.488 954 A N 1.059 123.883 122.820 0.006 0.000 2.366 954 A HA 0.422 4.742 4.320 -0.001 0.000 0.249 954 A C -0.177 177.414 177.584 0.012 0.000 1.084 954 A CA -0.366 51.675 52.037 0.007 0.000 0.794 954 A CB 0.056 19.057 19.000 0.002 0.000 1.034 954 A HN 0.726 nan 8.150 nan 0.000 0.491 955 D N 1.375 121.785 120.400 0.016 0.000 2.608 955 D HA 0.353 4.992 4.640 -0.001 0.000 0.224 955 D C -0.091 176.231 176.300 0.037 0.000 1.123 955 D CA 0.500 54.516 54.000 0.027 0.000 1.030 955 D CB -0.186 40.628 40.800 0.024 0.000 1.093 955 D HN 0.489 nan 8.370 nan 0.000 0.497 956 V N -1.013 118.928 119.914 0.045 0.000 3.114 956 V HA 0.612 4.731 4.120 -0.001 0.000 0.308 956 V C -1.438 174.715 176.094 0.099 0.000 1.168 956 V CA -1.194 61.141 62.300 0.059 0.000 1.015 956 V CB 2.496 34.332 31.823 0.021 0.000 1.050 956 V HN 0.132 nan 8.190 nan 0.000 0.433 957 Y N 1.445 121.740 120.300 -0.008 0.000 2.346 957 Y HA 0.781 5.331 4.550 -0.000 0.000 0.332 957 Y C -0.959 174.939 175.900 -0.003 0.000 0.985 957 Y CA -0.803 57.290 58.100 -0.012 0.000 1.112 957 Y CB 2.169 40.622 38.460 -0.010 0.000 1.170 957 Y HN 0.678 nan 8.280 nan 0.000 0.447 958 V N 8.543 128.057 119.914 -0.667 0.000 2.350 958 V HA 0.363 4.483 4.120 -0.001 0.000 0.276 958 V C -2.179 173.566 176.094 -0.581 0.000 1.028 958 V CA -1.990 60.053 62.300 -0.428 0.000 0.860 958 V CB 0.880 32.544 31.823 -0.264 0.000 0.990 958 V HN 0.716 nan 8.190 nan 0.000 0.453 959 P HA 0.199 nan 4.420 nan 0.000 0.265 959 P C -0.874 176.411 177.300 -0.026 0.000 1.193 959 P CA 0.107 63.208 63.100 0.002 0.000 0.765 959 P CB 0.599 32.365 31.700 0.110 0.000 0.823 960 D N 0.412 120.849 120.400 0.061 0.000 2.989 960 D HA 0.080 4.720 4.640 -0.001 0.000 0.284 960 D C 0.922 177.280 176.300 0.097 0.000 1.212 960 D CA -0.516 53.525 54.000 0.069 0.000 1.055 960 D CB -0.203 40.653 40.800 0.094 0.000 1.351 960 D HN 0.311 nan 8.370 nan 0.000 0.611 961 E N -0.332 119.901 120.200 0.055 0.000 2.401 961 E HA -0.150 4.200 4.350 -0.001 0.000 0.199 961 E C 0.851 177.375 176.600 -0.127 0.000 1.023 961 E CA 0.700 57.057 56.400 -0.071 0.000 0.859 961 E CB -0.465 29.129 29.700 -0.177 0.000 0.780 961 E HN 0.562 nan 8.360 nan 0.000 0.523 962 W N 1.634 122.950 121.300 0.026 0.000 3.047 962 W HA 0.162 4.821 4.660 -0.001 0.000 0.250 962 W C 0.728 177.272 176.519 0.043 0.000 1.314 962 W CA -0.351 57.014 57.345 0.032 0.000 1.540 962 W CB 0.184 29.668 29.460 0.041 0.000 1.127 962 W HN -0.033 nan 8.180 nan 0.000 0.679 963 E N 0.822 121.159 120.200 0.228 0.000 2.376 963 E HA 0.181 4.530 4.350 -0.001 0.000 0.266 963 E C -0.631 176.026 176.600 0.096 0.000 1.009 963 E CA 0.204 56.703 56.400 0.165 0.000 0.902 963 E CB 0.597 30.381 29.700 0.140 0.000 0.972 963 E HN -0.224 nan 8.360 nan 0.000 0.439 964 V N 3.796 123.760 119.914 0.084 0.000 2.540 964 V HA 0.602 4.722 4.120 -0.001 0.000 0.302 964 V C -0.015 176.101 176.094 0.036 0.000 1.035 964 V CA -0.815 61.515 62.300 0.050 0.000 0.873 964 V CB 1.622 33.476 31.823 0.052 0.000 0.992 964 V HN 0.890 nan 8.190 nan 0.000 0.428 965 A N 3.906 126.740 122.820 0.022 0.000 2.477 965 A HA 0.292 4.612 4.320 -0.001 0.000 0.246 965 A C 1.316 178.905 177.584 0.009 0.000 1.078 965 A CA -0.041 52.005 52.037 0.015 0.000 0.770 965 A CB -0.094 18.910 19.000 0.008 0.000 1.011 965 A HN 0.945 nan 8.150 nan 0.000 0.494 966 R N 0.740 121.243 120.500 0.005 0.000 2.200 966 R HA -0.157 4.182 4.340 -0.001 0.000 0.234 966 R C 1.014 177.308 176.300 -0.010 0.000 1.127 966 R CA 1.873 57.970 56.100 -0.005 0.000 0.989 966 R CB -0.036 30.258 30.300 -0.010 0.000 0.869 966 R HN 0.897 nan 8.270 nan 0.000 0.459 967 E N 0.119 120.315 120.200 -0.006 0.000 2.265 967 E HA -0.139 4.211 4.350 -0.001 0.000 0.196 967 E C 1.002 177.597 176.600 -0.008 0.000 0.996 967 E CA 1.084 57.479 56.400 -0.008 0.000 0.832 967 E CB 0.177 29.873 29.700 -0.006 0.000 0.756 967 E HN 0.254 nan 8.360 nan 0.000 0.491 968 K N -0.017 120.380 120.400 -0.005 0.000 2.417 968 K HA 0.208 4.528 4.320 -0.001 0.000 0.196 968 K C -0.043 176.554 176.600 -0.005 0.000 1.023 968 K CA 0.127 56.412 56.287 -0.004 0.000 1.122 968 K CB 0.507 33.006 32.500 -0.001 0.000 0.850 968 K HN 0.113 nan 8.250 nan 0.000 0.521 969 I N 0.779 121.343 120.570 -0.010 0.000 2.646 969 I HA 0.211 4.380 4.170 -0.001 0.000 0.299 969 I C -0.106 175.995 176.117 -0.026 0.000 1.036 969 I CA -0.904 60.387 61.300 -0.015 0.000 1.074 969 I CB 2.273 40.263 38.000 -0.018 0.000 1.258 969 I HN -0.072 nan 8.210 nan 0.000 0.430 970 T N 2.275 116.812 114.554 -0.028 0.000 2.933 970 T HA 0.584 4.934 4.350 -0.001 0.000 0.305 970 T C -0.746 173.928 174.700 -0.044 0.000 1.092 970 T CA -0.991 61.087 62.100 -0.036 0.000 1.008 970 T CB 1.711 70.567 68.868 -0.021 0.000 1.102 970 T HN 0.251 nan 8.240 nan 0.000 0.469 971 M N 2.660 122.217 119.600 -0.071 0.000 2.209 971 M HA 0.451 4.931 4.480 -0.001 0.000 0.355 971 M C 0.653 176.949 176.300 -0.006 0.000 1.171 971 M CA -0.612 54.640 55.300 -0.080 0.000 1.069 971 M CB 1.096 33.556 32.600 -0.233 0.000 1.622 971 M HN 0.856 nan 8.290 nan 0.000 0.459 972 S N 2.576 118.304 115.700 0.047 0.000 2.517 972 S HA 0.263 4.733 4.470 -0.001 0.000 0.228 972 S C 0.504 175.157 174.600 0.090 0.000 1.060 972 S CA 0.199 58.432 58.200 0.056 0.000 0.937 972 S CB 0.619 63.847 63.200 0.046 0.000 0.840 972 S HN 0.780 nan 8.310 nan 0.000 0.546 973 R N 0.645 121.230 120.500 0.143 0.000 2.712 973 R HA 0.432 4.771 4.340 -0.001 0.000 0.272 973 R C -2.013 174.372 176.300 0.141 0.000 1.032 973 R CA -0.819 55.363 56.100 0.137 0.000 0.874 973 R CB 0.906 31.243 30.300 0.062 0.000 1.256 973 R HN -0.020 nan 8.270 nan 0.000 0.468 974 E N 0.906 121.111 120.200 0.008 0.000 2.354 974 E HA 0.155 4.505 4.350 -0.001 0.000 0.269 974 E C 0.151 176.665 176.600 -0.143 0.000 1.036 974 E CA -0.162 56.100 56.400 -0.230 0.000 0.876 974 E CB 1.243 30.793 29.700 -0.252 0.000 1.009 974 E HN 0.428 nan 8.360 nan 0.000 0.416 975 L N 1.202 122.317 121.223 -0.180 0.000 2.500 975 L HA 0.334 4.674 4.340 -0.001 0.000 0.219 975 L C 0.888 177.700 176.870 -0.097 0.000 1.057 975 L CA 0.187 54.971 54.840 -0.094 0.000 0.854 975 L CB 0.515 42.540 42.059 -0.057 0.000 1.078 975 L HN 0.708 nan 8.230 nan 0.000 0.480 976 G N -0.219 108.496 108.800 -0.142 0.000 2.347 976 G HA2 0.119 4.079 3.960 -0.001 0.000 0.303 976 G HA3 0.119 4.079 3.960 -0.001 0.000 0.303 976 G C -1.877 172.954 174.900 -0.115 0.000 1.481 976 G CA -0.725 44.309 45.100 -0.110 0.000 0.914 976 G HN -0.165 nan 8.290 nan 0.000 0.638 977 Q N 0.154 119.899 119.800 -0.090 0.000 2.293 977 Q HA 0.570 4.910 4.340 -0.001 0.000 0.263 977 Q C 0.744 176.718 176.000 -0.042 0.000 1.002 977 Q CA 0.963 56.723 55.803 -0.072 0.000 0.910 977 Q CB 0.852 29.552 28.738 -0.063 0.000 1.185 977 Q HN 1.064 nan 8.270 nan 0.000 0.401 978 G N 1.577 110.366 108.800 -0.017 0.000 2.531 978 G HA2 0.299 4.258 3.960 -0.001 0.000 0.313 978 G HA3 0.299 4.258 3.960 -0.001 0.000 0.313 978 G C 0.357 175.270 174.900 0.021 0.000 1.238 978 G CA -0.313 44.799 45.100 0.021 0.000 0.994 978 G HN 0.697 nan 8.290 nan 0.000 0.493 979 S N -0.745 114.977 115.700 0.037 0.000 2.370 979 S HA -0.108 4.362 4.470 -0.001 0.000 0.226 979 S C 1.775 176.265 174.600 -0.183 0.000 1.033 979 S CA 1.496 59.643 58.200 -0.090 0.000 1.011 979 S CB -0.297 62.829 63.200 -0.124 0.000 0.852 979 S HN 0.443 nan 8.310 nan 0.000 0.457 980 F N 0.821 120.809 119.950 0.063 0.000 2.619 980 F HA 0.403 4.930 4.527 -0.001 0.000 0.293 980 F C 1.441 177.187 175.800 -0.089 0.000 1.119 980 F CA 0.467 58.468 58.000 0.001 0.000 1.445 980 F CB 0.356 39.373 39.000 0.029 0.000 1.119 980 F HN 0.329 nan 8.300 nan 0.000 0.573 981 G N -0.567 108.291 108.800 0.096 0.000 2.315 981 G HA2 0.291 4.250 3.960 -0.001 0.000 0.294 981 G HA3 0.291 4.250 3.960 -0.001 0.000 0.294 981 G C -1.555 173.352 174.900 0.012 0.000 1.300 981 G CA -1.138 43.976 45.100 0.023 0.000 0.843 981 G HN -0.150 nan 8.290 nan 0.000 0.527 982 M N 0.586 120.180 119.600 -0.011 0.000 2.250 982 M HA 0.499 4.979 4.480 -0.001 0.000 0.337 982 M C -0.087 176.157 176.300 -0.094 0.000 1.161 982 M CA 0.088 55.317 55.300 -0.118 0.000 1.088 982 M CB 0.769 33.238 32.600 -0.219 0.000 1.639 982 M HN 0.440 nan 8.290 nan 0.000 0.447 983 V N 6.660 126.462 119.914 -0.187 0.000 2.483 983 V HA 0.488 4.608 4.120 -0.001 0.000 0.295 983 V C -0.929 175.043 176.094 -0.202 0.000 1.035 983 V CA -0.546 61.715 62.300 -0.065 0.000 0.896 983 V CB 1.235 33.037 31.823 -0.036 0.000 0.986 983 V HN 0.786 nan 8.190 nan 0.000 0.447 984 Y N 1.217 121.517 120.300 -0.000 0.000 2.602 984 Y HA 0.565 5.115 4.550 -0.001 0.000 0.342 984 Y C 0.171 176.070 175.900 -0.003 0.000 1.029 984 Y CA -1.024 57.075 58.100 -0.002 0.000 1.080 984 Y CB 1.559 40.018 38.460 -0.001 0.000 1.284 984 Y HN 0.616 nan 8.280 nan 0.000 0.485 985 E N 0.342 120.648 120.200 0.176 0.000 2.191 985 E HA 0.684 5.034 4.350 -0.001 0.000 0.274 985 E C -0.523 176.135 176.600 0.095 0.000 0.948 985 E CA -0.440 56.017 56.400 0.095 0.000 0.802 985 E CB 1.434 31.167 29.700 0.056 0.000 1.137 985 E HN 0.880 nan 8.360 nan 0.000 0.397 986 G N 1.307 110.141 108.800 0.057 0.000 2.664 986 G HA2 0.468 4.428 3.960 -0.001 0.000 0.303 986 G HA3 0.468 4.428 3.960 -0.001 0.000 0.303 986 G C -1.500 173.412 174.900 0.019 0.000 1.243 986 G CA -0.405 44.715 45.100 0.034 0.000 0.826 986 G HN 0.448 nan 8.290 nan 0.000 0.498 987 V N -0.032 119.887 119.914 0.009 0.000 2.760 987 V HA 0.822 4.942 4.120 -0.001 0.000 0.309 987 V C -0.167 175.930 176.094 0.004 0.000 1.077 987 V CA -0.294 62.010 62.300 0.007 0.000 0.910 987 V CB 1.425 33.250 31.823 0.004 0.000 1.008 987 V HN 1.571 nan 8.190 nan 0.000 0.424 988 A N 3.916 126.740 122.820 0.007 0.000 2.393 988 A HA 0.815 5.134 4.320 -0.001 0.000 0.306 988 A C -0.719 176.868 177.584 0.005 0.000 1.050 988 A CA -0.806 51.236 52.037 0.007 0.000 0.724 988 A CB 1.410 20.419 19.000 0.015 0.000 1.248 988 A HN 0.779 nan 8.150 nan 0.000 0.424 989 K N 0.631 121.032 120.400 0.001 0.000 2.130 989 K HA 0.551 4.870 4.320 -0.001 0.000 0.268 989 K C 0.839 177.436 176.600 -0.005 0.000 0.983 989 K CA 0.225 56.511 56.287 -0.002 0.000 0.893 989 K CB 1.344 33.841 32.500 -0.004 0.000 1.066 989 K HN 1.627 nan 8.250 nan 0.000 0.450 990 G N 0.890 109.684 108.800 -0.009 0.000 2.221 990 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.265 990 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.265 990 G C 0.459 175.345 174.900 -0.022 0.000 1.041 990 G CA 0.526 45.616 45.100 -0.018 0.000 0.807 990 G HN 0.511 nan 8.290 nan 0.000 0.502 991 V N -4.158 115.750 119.914 -0.011 0.000 3.621 991 V HA 0.609 4.729 4.120 -0.001 0.000 0.263 991 V C 0.838 176.926 176.094 -0.010 0.000 1.272 991 V CA 0.523 62.819 62.300 -0.007 0.000 1.080 991 V CB 0.798 32.634 31.823 0.022 0.000 0.816 991 V HN 0.490 nan 8.190 nan 0.000 0.451 992 V N 1.290 121.198 119.914 -0.009 0.000 2.588 992 V HA 0.504 4.624 4.120 -0.001 0.000 0.304 992 V C -0.113 175.971 176.094 -0.015 0.000 1.042 992 V CA -1.025 61.270 62.300 -0.007 0.000 0.877 992 V CB 1.869 33.694 31.823 0.004 0.000 0.996 992 V HN 0.344 nan 8.190 nan 0.000 0.425 993 K N 3.350 123.738 120.400 -0.019 0.000 2.489 993 K HA 0.047 4.367 4.320 -0.001 0.000 0.278 993 K C 0.574 177.167 176.600 -0.013 0.000 1.000 993 K CA 0.903 57.178 56.287 -0.021 0.000 1.012 993 K CB -0.118 32.370 32.500 -0.021 0.000 0.903 993 K HN 0.762 nan 8.250 nan 0.000 0.485 994 D N 2.057 122.448 120.400 -0.014 0.000 2.983 994 D HA -0.205 4.435 4.640 -0.001 0.000 0.225 994 D C -0.910 175.386 176.300 -0.007 0.000 1.174 994 D CA 1.108 55.102 54.000 -0.010 0.000 0.831 994 D CB -0.696 40.099 40.800 -0.008 0.000 1.104 994 D HN 0.687 nan 8.370 nan 0.000 0.421 995 E N -0.102 120.094 120.200 -0.007 0.000 2.220 995 E HA 0.153 4.502 4.350 -0.001 0.000 0.256 995 E C -1.488 175.108 176.600 -0.006 0.000 0.881 995 E CA -1.564 54.833 56.400 -0.004 0.000 0.766 995 E CB 2.151 31.850 29.700 -0.002 0.000 1.187 995 E HN -0.082 nan 8.360 nan 0.000 0.419 996 P HA -0.209 nan 4.420 nan 0.000 0.215 996 P C -0.209 177.088 177.300 -0.004 0.000 1.157 996 P CA 1.444 64.541 63.100 -0.005 0.000 0.868 996 P CB 0.341 32.039 31.700 -0.004 0.000 0.788 997 E N -1.713 118.486 120.200 -0.002 0.000 2.383 997 E HA 0.595 4.945 4.350 -0.001 0.000 0.275 997 E C -1.335 175.266 176.600 0.002 0.000 0.918 997 E CA -0.945 55.455 56.400 -0.000 0.000 0.764 997 E CB 1.777 31.477 29.700 0.000 0.000 1.252 997 E HN -0.282 nan 8.360 nan 0.000 0.449 998 T N 1.181 115.737 114.554 0.004 0.000 2.916 998 T HA 0.399 4.749 4.350 -0.001 0.000 0.298 998 T C -0.546 174.158 174.700 0.007 0.000 1.031 998 T CA -0.886 61.218 62.100 0.006 0.000 0.993 998 T CB 1.234 70.107 68.868 0.009 0.000 1.045 998 T HN 0.346 nan 8.240 nan 0.000 0.454 999 R N 1.584 122.088 120.500 0.006 0.000 2.389 999 R HA 0.574 4.914 4.340 -0.001 0.000 0.295 999 R C 0.047 176.352 176.300 0.009 0.000 1.075 999 R CA -0.438 55.666 56.100 0.007 0.000 1.005 999 R CB 0.514 30.816 30.300 0.003 0.000 0.987 999 R HN 0.524 nan 8.270 nan 0.000 0.452 1000 V N -1.219 118.704 119.914 0.014 0.000 3.160 1000 V HA 0.875 4.995 4.120 -0.001 0.000 0.310 1000 V C -0.718 175.391 176.094 0.024 0.000 1.181 1000 V CA -1.311 60.999 62.300 0.017 0.000 1.047 1000 V CB 2.002 33.838 31.823 0.021 0.000 1.068 1000 V HN 0.790 nan 8.190 nan 0.000 0.441 1001 A N 1.921 124.754 122.820 0.021 0.000 2.305 1001 A HA 0.909 5.229 4.320 -0.001 0.000 0.322 1001 A C -0.555 177.055 177.584 0.044 0.000 1.187 1001 A CA -0.661 51.394 52.037 0.030 0.000 0.825 1001 A CB 0.520 19.523 19.000 0.004 0.000 1.164 1001 A HN 0.921 nan 8.150 nan 0.000 0.498 1002 I N 2.569 123.191 120.570 0.087 0.000 2.439 1002 I HA 0.241 4.411 4.170 -0.001 0.000 0.283 1002 I C -0.250 175.962 176.117 0.158 0.000 1.023 1002 I CA -0.325 61.039 61.300 0.105 0.000 1.100 1002 I CB 1.736 39.793 38.000 0.095 0.000 1.238 1002 I HN 0.603 nan 8.210 nan 0.000 0.445 1003 K N 4.664 125.146 120.400 0.138 0.000 2.172 1003 K HA 0.527 4.846 4.320 -0.001 0.000 0.276 1003 K C 0.110 176.860 176.600 0.250 0.000 1.013 1003 K CA -0.430 55.973 56.287 0.195 0.000 0.913 1003 K CB 1.722 34.329 32.500 0.179 0.000 1.055 1003 K HN 0.661 nan 8.250 nan 0.000 0.461 1004 T N -2.064 112.563 114.554 0.123 0.000 2.926 1004 T HA 0.519 4.869 4.350 -0.001 0.000 0.289 1004 T C -0.406 174.096 174.700 -0.329 0.000 1.054 1004 T CA -0.850 61.215 62.100 -0.058 0.000 1.015 1004 T CB 1.361 70.269 68.868 0.067 0.000 1.167 1004 T HN 0.144 nan 8.240 nan 0.000 0.526 1005 V N 2.794 122.447 119.914 -0.436 0.000 2.417 1005 V HA 0.409 4.529 4.120 -0.001 0.000 0.291 1005 V C 0.540 176.543 176.094 -0.151 0.000 1.024 1005 V CA -1.179 60.878 62.300 -0.404 0.000 0.861 1005 V CB 1.346 32.847 31.823 -0.537 0.000 0.985 1005 V HN 1.016 nan 8.190 nan 0.000 0.436 1006 N N 3.284 121.944 118.700 -0.067 0.000 2.357 1006 N HA -0.084 4.656 4.740 -0.001 0.000 0.257 1006 N C 1.247 176.737 175.510 -0.034 0.000 1.250 1006 N CA 0.554 53.585 53.050 -0.031 0.000 0.862 1006 N CB 0.883 39.360 38.487 -0.016 0.000 1.066 1006 N HN 0.916 nan 8.380 nan 0.000 0.468 1007 E N 3.087 123.273 120.200 -0.024 0.000 2.273 1007 E HA -0.200 4.149 4.350 -0.001 0.000 0.198 1007 E C 1.007 177.597 176.600 -0.016 0.000 1.002 1007 E CA 1.255 57.642 56.400 -0.021 0.000 0.828 1007 E CB 0.022 29.714 29.700 -0.013 0.000 0.747 1007 E HN 0.686 nan 8.360 nan 0.000 0.491 1008 A N 0.386 123.198 122.820 -0.013 0.000 2.251 1008 A HA 0.397 4.717 4.320 -0.001 0.000 0.209 1008 A C 0.993 178.573 177.584 -0.007 0.000 1.187 1008 A CA 0.476 52.507 52.037 -0.009 0.000 0.823 1008 A CB -0.106 18.888 19.000 -0.009 0.000 0.846 1008 A HN 0.318 nan 8.150 nan 0.000 0.486 1009 A N 0.702 123.518 122.820 -0.006 0.000 2.406 1009 A HA 0.502 4.822 4.320 -0.001 0.000 0.243 1009 A C 0.988 178.578 177.584 0.009 0.000 1.082 1009 A CA 0.315 52.356 52.037 0.007 0.000 0.786 1009 A CB -0.065 18.948 19.000 0.021 0.000 1.029 1009 A HN 0.974 nan 8.150 nan 0.000 0.495 1010 S N 1.444 117.156 115.700 0.019 0.000 2.624 1010 S HA 0.306 4.775 4.470 -0.001 0.000 0.263 1010 S C 1.117 175.732 174.600 0.025 0.000 1.287 1010 S CA -0.464 57.747 58.200 0.018 0.000 0.990 1010 S CB 0.438 63.650 63.200 0.020 0.000 0.950 1010 S HN 0.553 nan 8.310 nan 0.000 0.561 1011 M N 0.414 120.027 119.600 0.021 0.000 2.213 1011 M HA -0.022 4.457 4.480 -0.001 0.000 0.263 1011 M C 2.189 178.511 176.300 0.036 0.000 1.062 1011 M CA 1.404 56.718 55.300 0.024 0.000 1.105 1011 M CB -1.447 31.165 32.600 0.021 0.000 1.385 1011 M HN 0.865 nan 8.290 nan 0.000 0.417 1012 R N 1.070 121.592 120.500 0.038 0.000 2.081 1012 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 1012 R C 1.816 178.161 176.300 0.075 0.000 1.131 1012 R CA 1.843 57.971 56.100 0.047 0.000 0.960 1012 R CB -0.492 29.830 30.300 0.037 0.000 0.856 1012 R HN 0.473 nan 8.270 nan 0.000 0.436 1013 E N -0.416 119.839 120.200 0.093 0.000 2.110 1013 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 1013 E C 2.199 178.905 176.600 0.177 0.000 0.988 1013 E CA 1.148 57.654 56.400 0.177 0.000 0.804 1013 E CB -0.096 29.701 29.700 0.162 0.000 0.745 1013 E HN 0.307 nan 8.360 nan 0.000 0.458 1014 R N 0.314 120.862 120.500 0.080 0.000 2.092 1014 R HA -0.094 4.245 4.340 -0.001 0.000 0.231 1014 R C 2.289 178.619 176.300 0.051 0.000 1.119 1014 R CA 0.822 56.938 56.100 0.027 0.000 0.970 1014 R CB -0.066 30.230 30.300 -0.008 0.000 0.864 1014 R HN 0.153 nan 8.270 nan 0.000 0.440 1015 I N 1.223 121.823 120.570 0.050 0.000 2.202 1015 I HA -0.211 3.958 4.170 -0.001 0.000 0.242 1015 I C 1.939 178.063 176.117 0.013 0.000 1.091 1015 I CA 1.546 62.870 61.300 0.040 0.000 1.368 1015 I CB -1.024 37.008 38.000 0.053 0.000 1.058 1015 I HN 0.239 nan 8.210 nan 0.000 0.410 1016 E N 0.239 120.465 120.200 0.043 0.000 2.118 1016 E HA -0.269 4.081 4.350 -0.001 0.000 0.195 1016 E C 2.153 178.672 176.600 -0.135 0.000 0.992 1016 E CA 1.275 57.685 56.400 0.018 0.000 0.804 1016 E CB -0.333 29.459 29.700 0.154 0.000 0.741 1016 E HN 0.372 nan 8.360 nan 0.000 0.458 1017 F N 1.582 121.287 119.950 -0.408 0.000 2.069 1017 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 1017 F C 1.962 177.474 175.800 -0.479 0.000 1.113 1017 F CA 1.457 58.986 58.000 -0.786 0.000 1.214 1017 F CB -0.234 38.317 39.000 -0.748 0.000 0.978 1017 F HN -0.097 nan 8.300 nan 0.000 0.474 1018 L N 0.061 121.123 121.223 -0.267 0.000 2.083 1018 L HA -0.242 4.098 4.340 -0.001 0.000 0.209 1018 L C 2.163 178.844 176.870 -0.315 0.000 1.083 1018 L CA 1.684 56.279 54.840 -0.408 0.000 0.752 1018 L CB -0.976 40.776 42.059 -0.512 0.000 0.899 1018 L HN 0.262 nan 8.230 nan 0.000 0.433 1019 N N -0.481 118.085 118.700 -0.224 0.000 2.069 1019 N HA -0.198 4.542 4.740 -0.001 0.000 0.191 1019 N C 1.750 177.059 175.510 -0.334 0.000 1.031 1019 N CA 1.027 53.968 53.050 -0.181 0.000 0.852 1019 N CB 0.049 38.458 38.487 -0.130 0.000 1.018 1019 N HN 0.298 nan 8.380 nan 0.000 0.423 1020 E N 0.960 120.821 120.200 -0.564 0.000 2.077 1020 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 1020 E C 2.011 178.182 176.600 -0.715 0.000 0.989 1020 E CA 0.746 56.637 56.400 -0.848 0.000 0.800 1020 E CB -0.300 28.365 29.700 -1.725 0.000 0.746 1020 E HN 0.374 nan 8.360 nan 0.000 0.452 1021 A N 0.990 123.453 122.820 -0.595 0.000 1.902 1021 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 1021 A C 2.484 179.835 177.584 -0.388 0.000 1.181 1021 A CA 1.684 53.538 52.037 -0.305 0.000 0.623 1021 A CB -0.492 18.290 19.000 -0.363 0.000 0.818 1021 A HN 0.172 nan 8.150 nan 0.000 0.443 1022 S N -0.322 115.167 115.700 -0.352 0.000 2.400 1022 S HA -0.133 4.336 4.470 -0.001 0.000 0.232 1022 S C 1.811 176.165 174.600 -0.409 0.000 1.025 1022 S CA 1.316 59.320 58.200 -0.327 0.000 0.993 1022 S CB -0.441 62.675 63.200 -0.140 0.000 0.808 1022 S HN 0.359 nan 8.310 nan 0.000 0.478 1023 V N 2.130 121.794 119.914 -0.418 0.000 2.392 1023 V HA -0.194 3.926 4.120 -0.001 0.000 0.249 1023 V C 2.023 177.551 176.094 -0.943 0.000 1.059 1023 V CA 1.661 63.656 62.300 -0.510 0.000 1.051 1023 V CB -0.627 30.930 31.823 -0.443 0.000 0.658 1023 V HN 0.558 nan 8.190 nan 0.000 0.455 1024 M N -1.022 118.047 119.600 -0.884 0.000 2.619 1024 M HA -0.061 4.419 4.480 -0.001 0.000 0.251 1024 M C 1.951 177.772 176.300 -0.798 0.000 1.106 1024 M CA 1.022 55.695 55.300 -1.046 0.000 1.086 1024 M CB -0.400 31.925 32.600 -0.459 0.000 1.465 1024 M HN 0.245 nan 8.290 nan 0.000 0.506 1025 K N 0.979 120.910 120.400 -0.783 0.000 2.211 1025 K HA -0.140 4.180 4.320 -0.001 0.000 0.204 1025 K C 1.060 177.515 176.600 -0.242 0.000 1.047 1025 K CA 1.046 56.841 56.287 -0.819 0.000 0.935 1025 K CB -0.040 31.962 32.500 -0.831 0.000 0.728 1025 K HN 0.484 nan 8.250 nan 0.000 0.452 1026 E N -0.189 119.848 120.200 -0.273 0.000 2.463 1026 E HA 0.045 4.394 4.350 -0.001 0.000 0.193 1026 E C -0.591 176.178 176.600 0.283 0.000 1.041 1026 E CA -0.213 56.199 56.400 0.021 0.000 0.879 1026 E CB 0.301 30.023 29.700 0.037 0.000 0.997 1026 E HN 0.030 nan 8.360 nan 0.000 0.478 1027 F N 1.284 121.286 119.950 0.086 0.000 2.404 1027 F HA 0.341 4.867 4.527 -0.001 0.000 0.339 1027 F C 0.576 176.448 175.800 0.120 0.000 1.105 1027 F CA -1.805 56.302 58.000 0.180 0.000 1.087 1027 F CB 0.884 39.936 39.000 0.086 0.000 1.143 1027 F HN -0.179 nan 8.300 nan 0.000 0.491 1028 N N 1.871 120.721 118.700 0.251 0.000 2.716 1028 N HA 0.238 4.977 4.740 -0.001 0.000 0.245 1028 N C -1.982 173.350 175.510 -0.298 0.000 1.495 1028 N CA -0.012 53.064 53.050 0.043 0.000 0.759 1028 N CB 0.571 39.143 38.487 0.141 0.000 1.261 1028 N HN 0.610 nan 8.380 nan 0.000 0.515 1029 C N 2.395 121.427 119.300 -0.446 0.000 2.535 1029 C HA 0.403 4.863 4.460 -0.001 0.000 0.319 1029 C C 1.568 176.402 174.990 -0.262 0.000 1.171 1029 C CA -0.616 58.061 59.018 -0.568 0.000 1.394 1029 C CB 0.611 27.669 27.740 -1.136 0.000 1.990 1029 C HN 0.842 nan 8.230 nan 0.000 0.466 1030 H N 1.665 120.544 119.070 -0.319 0.000 2.456 1030 H HA -0.082 4.474 4.556 -0.001 0.000 0.296 1030 H C 0.588 175.668 175.328 -0.413 0.000 1.079 1030 H CA 1.897 57.725 56.048 -0.366 0.000 1.322 1030 H CB 0.230 29.706 29.762 -0.476 0.000 1.388 1030 H HN 0.858 nan 8.280 nan 0.000 0.538 1031 H N -0.883 118.155 119.070 -0.053 0.000 2.507 1031 H HA 0.276 4.831 4.556 -0.001 0.000 0.294 1031 H C -0.576 174.706 175.328 -0.077 0.000 1.064 1031 H CA -0.352 55.667 56.048 -0.047 0.000 1.138 1031 H CB 0.586 30.393 29.762 0.075 0.000 1.515 1031 H HN -0.060 nan 8.280 nan 0.000 0.547 1032 V N 1.330 121.206 119.914 -0.064 0.000 2.623 1032 V HA 0.106 4.226 4.120 -0.001 0.000 0.304 1032 V C -0.005 176.061 176.094 -0.048 0.000 1.054 1032 V CA -1.138 61.132 62.300 -0.050 0.000 0.882 1032 V CB 2.364 34.124 31.823 -0.105 0.000 1.002 1032 V HN -0.009 nan 8.190 nan 0.000 0.424 1033 V N 5.611 125.514 119.914 -0.019 0.000 2.584 1033 V HA 0.056 4.176 4.120 -0.001 0.000 0.303 1033 V C 0.909 177.004 176.094 0.001 0.000 1.035 1033 V CA 0.303 62.589 62.300 -0.024 0.000 1.172 1033 V CB -0.129 31.684 31.823 -0.016 0.000 0.896 1033 V HN 0.750 nan 8.190 nan 0.000 0.486 1034 R N 3.419 123.916 120.500 -0.005 0.000 2.410 1034 R HA 0.422 4.762 4.340 -0.001 0.000 0.288 1034 R C -0.397 175.919 176.300 0.028 0.000 1.051 1034 R CA -0.876 55.243 56.100 0.031 0.000 1.021 1034 R CB 1.078 31.405 30.300 0.044 0.000 1.032 1034 R HN 0.556 nan 8.270 nan 0.000 0.481 1035 L N 3.694 124.927 121.223 0.018 0.000 2.331 1035 L HA 0.150 4.489 4.340 -0.001 0.000 0.278 1035 L C 0.172 177.144 176.870 0.170 0.000 1.106 1035 L CA 0.556 55.382 54.840 -0.024 0.000 0.824 1035 L CB 0.722 42.626 42.059 -0.258 0.000 1.142 1035 L HN 0.696 nan 8.230 nan 0.000 0.443 1036 L N 4.324 125.654 121.223 0.179 0.000 2.642 1036 L HA 0.562 4.901 4.340 -0.001 0.000 0.233 1036 L C 0.808 177.871 176.870 0.321 0.000 1.077 1036 L CA 0.327 55.319 54.840 0.252 0.000 0.879 1036 L CB 0.287 42.417 42.059 0.120 0.000 1.151 1036 L HN 0.844 nan 8.230 nan 0.000 0.495 1037 G N -0.593 108.372 108.800 0.276 0.000 2.368 1037 G HA2 0.466 4.426 3.960 -0.001 0.000 0.293 1037 G HA3 0.466 4.426 3.960 -0.001 0.000 0.293 1037 G C -2.060 172.931 174.900 0.152 0.000 1.467 1037 G CA -0.443 44.826 45.100 0.282 0.000 0.804 1037 G HN -0.302 nan 8.290 nan 0.000 0.535 1038 V N -0.497 119.510 119.914 0.155 0.000 2.789 1038 V HA 0.710 4.830 4.120 -0.001 0.000 0.311 1038 V C -0.506 175.627 176.094 0.065 0.000 1.073 1038 V CA -0.752 61.584 62.300 0.061 0.000 0.921 1038 V CB 2.114 33.948 31.823 0.019 0.000 1.009 1038 V HN 0.801 nan 8.190 nan 0.000 0.426 1039 V N 3.077 123.008 119.914 0.029 0.000 2.340 1039 V HA 0.280 4.399 4.120 -0.001 0.000 0.277 1039 V C 0.723 176.819 176.094 0.004 0.000 1.017 1039 V CA 0.171 62.490 62.300 0.032 0.000 0.820 1039 V CB 1.318 33.157 31.823 0.026 0.000 1.028 1039 V HN 1.039 nan 8.190 nan 0.000 0.436 1040 S N 2.296 118.000 115.700 0.007 0.000 2.540 1040 S HA 0.248 4.718 4.470 -0.001 0.000 0.218 1040 S C 0.440 175.060 174.600 0.033 0.000 0.977 1040 S CA -0.401 57.786 58.200 -0.021 0.000 0.918 1040 S CB 0.223 63.400 63.200 -0.038 0.000 0.806 1040 S HN 0.602 nan 8.310 nan 0.000 0.496 1041 Q N 1.563 121.386 119.800 0.038 0.000 2.293 1041 Q HA 0.654 4.993 4.340 -0.001 0.000 0.261 1041 Q C 0.643 176.652 176.000 0.015 0.000 0.960 1041 Q CA 0.294 56.117 55.803 0.034 0.000 0.882 1041 Q CB 1.116 29.878 28.738 0.040 0.000 1.275 1041 Q HN 0.481 nan 8.270 nan 0.000 0.445 1042 G N 2.181 110.986 108.800 0.010 0.000 2.741 1042 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.222 1042 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.222 1042 G C -0.976 173.918 174.900 -0.010 0.000 1.364 1042 G CA -0.710 44.389 45.100 -0.001 0.000 0.866 1042 G HN 0.523 nan 8.290 nan 0.000 0.555 1043 Q N 0.165 119.954 119.800 -0.017 0.000 2.372 1043 Q HA 0.593 4.932 4.340 -0.001 0.000 0.273 1043 Q C -2.078 173.900 176.000 -0.036 0.000 1.078 1043 Q CA -1.514 54.273 55.803 -0.027 0.000 0.806 1043 Q CB 2.756 31.480 28.738 -0.024 0.000 1.332 1043 Q HN 0.679 nan 8.270 nan 0.000 0.435 1044 P HA 0.206 nan 4.420 nan 0.000 0.280 1044 P C -0.694 176.573 177.300 -0.055 0.000 1.272 1044 P CA -0.432 62.636 63.100 -0.055 0.000 0.819 1044 P CB 0.747 32.411 31.700 -0.059 0.000 1.122 1045 T N 1.129 115.636 114.554 -0.078 0.000 2.916 1045 T HA 0.348 4.698 4.350 -0.001 0.000 0.303 1045 T C 0.280 174.975 174.700 -0.009 0.000 1.025 1045 T CA 0.132 62.203 62.100 -0.048 0.000 1.142 1045 T CB -0.175 68.645 68.868 -0.079 0.000 0.947 1045 T HN 0.198 nan 8.240 nan 0.000 0.544 1046 L N 2.394 123.672 121.223 0.092 0.000 2.371 1046 L HA 0.762 5.102 4.340 -0.001 0.000 0.262 1046 L C -0.799 176.190 176.870 0.198 0.000 1.006 1046 L CA -1.280 53.653 54.840 0.155 0.000 0.818 1046 L CB 2.161 44.255 42.059 0.058 0.000 1.354 1046 L HN 0.292 nan 8.230 nan 0.000 0.415 1047 V N 3.355 123.392 119.914 0.204 0.000 2.483 1047 V HA 0.436 4.555 4.120 -0.001 0.000 0.297 1047 V C -0.347 175.759 176.094 0.021 0.000 1.027 1047 V CA -0.454 61.859 62.300 0.021 0.000 0.855 1047 V CB 2.258 33.956 31.823 -0.207 0.000 0.995 1047 V HN 0.404 nan 8.190 nan 0.000 0.424 1048 I N 6.153 126.733 120.570 0.017 0.000 2.315 1048 I HA 0.498 4.667 4.170 -0.001 0.000 0.291 1048 I C -0.020 176.105 176.117 0.013 0.000 1.006 1048 I CA -0.145 61.172 61.300 0.028 0.000 1.265 1048 I CB 1.264 39.294 38.000 0.050 0.000 1.387 1048 I HN 0.433 nan 8.210 nan 0.000 0.475 1049 M N 3.944 123.544 119.600 -0.001 0.000 2.716 1049 M HA 0.367 4.847 4.480 -0.001 0.000 0.307 1049 M C 0.120 176.420 176.300 -0.001 0.000 1.223 1049 M CA -0.849 54.443 55.300 -0.014 0.000 0.871 1049 M CB 1.634 34.201 32.600 -0.054 0.000 1.739 1049 M HN 0.493 nan 8.290 nan 0.000 0.475 1050 E N 1.501 121.699 120.200 -0.003 0.000 2.415 1050 E HA 0.122 4.472 4.350 -0.001 0.000 0.263 1050 E C -1.239 175.350 176.600 -0.018 0.000 0.995 1050 E CA -0.310 56.086 56.400 -0.008 0.000 0.915 1050 E CB 0.725 30.414 29.700 -0.018 0.000 0.951 1050 E HN 0.467 nan 8.360 nan 0.000 0.449 1051 L N 5.323 126.536 121.223 -0.015 0.000 2.331 1051 L HA 0.191 4.531 4.340 -0.001 0.000 0.278 1051 L C -0.619 176.230 176.870 -0.034 0.000 1.106 1051 L CA 0.168 54.997 54.840 -0.018 0.000 0.824 1051 L CB 1.071 43.124 42.059 -0.011 0.000 1.142 1051 L HN 0.628 nan 8.230 nan 0.000 0.443 1052 M N 4.929 124.508 119.600 -0.036 0.000 2.158 1052 M HA 0.174 4.654 4.480 -0.001 0.000 0.326 1052 M C 1.241 177.509 176.300 -0.053 0.000 1.014 1052 M CA -0.228 55.040 55.300 -0.053 0.000 0.961 1052 M CB 0.406 32.979 32.600 -0.044 0.000 1.327 1052 M HN 0.795 nan 8.290 nan 0.000 0.393 1053 T N -0.724 113.789 114.554 -0.068 0.000 2.897 1053 T HA -0.111 4.238 4.350 -0.001 0.000 0.271 1053 T C 1.344 176.005 174.700 -0.065 0.000 1.084 1053 T CA 1.204 63.266 62.100 -0.063 0.000 1.123 1053 T CB -0.057 68.766 68.868 -0.074 0.000 0.865 1053 T HN 0.607 nan 8.240 nan 0.000 0.496 1054 R N 1.051 121.492 120.500 -0.098 0.000 2.359 1054 R HA 0.446 4.785 4.340 -0.001 0.000 0.231 1054 R C 1.530 177.839 176.300 0.015 0.000 0.913 1054 R CA 0.161 56.223 56.100 -0.063 0.000 1.075 1054 R CB 0.017 30.204 30.300 -0.189 0.000 1.087 1054 R HN 0.578 nan 8.270 nan 0.000 0.515 1055 G N 2.175 110.979 108.800 0.008 0.000 2.645 1055 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.239 1055 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.239 1055 G C -0.680 174.258 174.900 0.063 0.000 1.331 1055 G CA -0.155 44.974 45.100 0.047 0.000 0.890 1055 G HN 0.473 nan 8.290 nan 0.000 0.572 1056 D N -0.100 120.366 120.400 0.109 0.000 2.339 1056 D HA 0.281 4.920 4.640 -0.001 0.000 0.245 1056 D C 1.677 178.066 176.300 0.148 0.000 1.115 1056 D CA -0.205 53.865 54.000 0.118 0.000 0.917 1056 D CB 1.576 42.469 40.800 0.155 0.000 1.192 1056 D HN 0.574 nan 8.370 nan 0.000 0.428 1057 L N 1.856 123.148 121.223 0.115 0.000 2.131 1057 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 1057 L C 2.456 179.435 176.870 0.182 0.000 1.092 1057 L CA 1.795 56.730 54.840 0.158 0.000 0.759 1057 L CB -0.799 41.324 42.059 0.106 0.000 0.903 1057 L HN 0.611 nan 8.230 nan 0.000 0.435 1058 K N -1.232 119.219 120.400 0.086 0.000 2.025 1058 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 1058 K C 2.076 178.757 176.600 0.135 0.000 1.049 1058 K CA 1.612 57.912 56.287 0.020 0.000 0.933 1058 K CB -0.122 32.197 32.500 -0.301 0.000 0.714 1058 K HN 0.341 nan 8.250 nan 0.000 0.438 1059 S N 0.003 115.847 115.700 0.240 0.000 2.368 1059 S HA -0.176 4.294 4.470 -0.001 0.000 0.225 1059 S C 1.615 176.334 174.600 0.197 0.000 1.030 1059 S CA 1.314 59.675 58.200 0.268 0.000 0.999 1059 S CB -0.526 62.836 63.200 0.270 0.000 0.844 1059 S HN 0.439 nan 8.310 nan 0.000 0.459 1060 Y N 2.405 122.768 120.300 0.104 0.000 2.097 1060 Y HA -0.150 4.400 4.550 -0.001 0.000 0.282 1060 Y C 1.914 177.864 175.900 0.083 0.000 1.152 1060 Y CA 1.403 59.559 58.100 0.094 0.000 1.136 1060 Y CB -0.596 37.925 38.460 0.100 0.000 0.975 1060 Y HN 0.129 nan 8.280 nan 0.000 0.498 1061 L N -0.057 121.198 121.223 0.053 0.000 2.042 1061 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 1061 L C 2.638 179.455 176.870 -0.089 0.000 1.076 1061 L CA 1.723 56.528 54.840 -0.059 0.000 0.749 1061 L CB -0.539 41.556 42.059 0.060 0.000 0.893 1061 L HN 0.172 nan 8.230 nan 0.000 0.432 1062 R N -0.258 120.236 120.500 -0.010 0.000 2.148 1062 R HA -0.112 4.228 4.340 -0.001 0.000 0.227 1062 R C 2.488 178.770 176.300 -0.030 0.000 1.103 1062 R CA 1.465 57.566 56.100 0.002 0.000 0.983 1062 R CB -0.339 30.004 30.300 0.072 0.000 0.874 1062 R HN 0.474 nan 8.270 nan 0.000 0.451 1063 S N 0.532 116.197 115.700 -0.059 0.000 2.515 1063 S HA -0.004 4.466 4.470 -0.001 0.000 0.231 1063 S C 1.919 176.452 174.600 -0.111 0.000 0.987 1063 S CA 0.526 58.687 58.200 -0.065 0.000 0.936 1063 S CB -0.191 62.979 63.200 -0.049 0.000 0.766 1063 S HN 0.223 nan 8.310 nan 0.000 0.528 1064 L N 0.553 121.670 121.223 -0.177 0.000 2.156 1064 L HA 0.097 4.437 4.340 -0.001 0.000 0.208 1064 L C 3.048 179.859 176.870 -0.099 0.000 1.095 1064 L CA 1.092 55.830 54.840 -0.169 0.000 0.770 1064 L CB -0.489 41.434 42.059 -0.226 0.000 0.914 1064 L HN 0.321 nan 8.230 nan 0.000 0.439 1065 R N 0.794 121.245 120.500 -0.080 0.000 2.080 1065 R HA -0.143 4.197 4.340 -0.001 0.000 0.236 1065 R C -0.339 175.935 176.300 -0.043 0.000 1.137 1065 R CA 1.886 57.952 56.100 -0.058 0.000 0.943 1065 R CB -1.116 29.156 30.300 -0.047 0.000 0.846 1065 R HN 0.234 nan 8.270 nan 0.000 0.431 1066 P HA -0.118 nan 4.420 nan 0.000 0.218 1066 P C 0.781 178.067 177.300 -0.024 0.000 1.149 1066 P CA 1.824 64.910 63.100 -0.023 0.000 0.817 1066 P CB -0.006 31.685 31.700 -0.015 0.000 0.785 1067 A N -0.074 122.728 122.820 -0.031 0.000 1.898 1067 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 1067 A C 2.385 179.953 177.584 -0.028 0.000 1.181 1067 A CA 1.619 53.640 52.037 -0.027 0.000 0.620 1067 A CB -1.297 17.683 19.000 -0.032 0.000 0.819 1067 A HN 0.099 nan 8.150 nan 0.000 0.442 1068 M N -0.653 118.925 119.600 -0.036 0.000 2.200 1068 M HA -0.065 4.414 4.480 -0.001 0.000 0.265 1068 M C 2.434 178.717 176.300 -0.029 0.000 1.066 1068 M CA 1.176 56.455 55.300 -0.035 0.000 1.127 1068 M CB -0.316 32.258 32.600 -0.044 0.000 1.379 1068 M HN 0.464 nan 8.290 nan 0.000 0.420 1069 A N 0.531 123.334 122.820 -0.027 0.000 2.015 1069 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 1069 A C 1.619 179.193 177.584 -0.017 0.000 1.163 1069 A CA 1.768 53.791 52.037 -0.022 0.000 0.646 1069 A CB -0.682 18.306 19.000 -0.020 0.000 0.806 1069 A HN 0.487 nan 8.150 nan 0.000 0.448 1070 N N -0.583 118.108 118.700 -0.016 0.000 2.373 1070 N HA 0.044 4.783 4.740 -0.001 0.000 0.181 1070 N C -0.115 175.389 175.510 -0.011 0.000 1.082 1070 N CA 0.297 53.340 53.050 -0.011 0.000 0.885 1070 N CB 0.257 38.739 38.487 -0.009 0.000 0.977 1070 N HN 0.356 nan 8.380 nan 0.000 0.462 1071 N N -0.474 118.218 118.700 -0.014 0.000 2.558 1071 N HA 0.254 4.994 4.740 -0.001 0.000 0.285 1071 N C -2.455 173.046 175.510 -0.016 0.000 1.112 1071 N CA -1.631 51.411 53.050 -0.013 0.000 0.857 1071 N CB 1.778 40.258 38.487 -0.011 0.000 1.376 1071 N HN -0.202 nan 8.380 nan 0.000 0.526 1072 P HA -0.084 nan 4.420 nan 0.000 0.223 1072 P C 1.272 178.562 177.300 -0.018 0.000 1.144 1072 P CA 0.612 63.701 63.100 -0.017 0.000 0.783 1072 P CB 0.620 32.311 31.700 -0.015 0.000 0.771 1073 V N -1.117 118.788 119.914 -0.016 0.000 2.515 1073 V HA -0.137 3.983 4.120 -0.001 0.000 0.250 1073 V C 1.396 177.478 176.094 -0.020 0.000 1.058 1073 V CA 1.005 63.296 62.300 -0.016 0.000 1.064 1073 V CB -0.794 31.022 31.823 -0.012 0.000 0.675 1073 V HN 0.085 nan 8.190 nan 0.000 0.461 1074 L N 0.297 121.507 121.223 -0.022 0.000 2.371 1074 L HA 0.583 4.923 4.340 -0.001 0.000 0.272 1074 L C 0.100 176.950 176.870 -0.034 0.000 1.124 1074 L CA 0.055 54.878 54.840 -0.028 0.000 0.816 1074 L CB 0.750 42.791 42.059 -0.030 0.000 1.129 1074 L HN 0.195 nan 8.230 nan 0.000 0.448 1075 A N 3.992 126.789 122.820 -0.038 0.000 2.423 1075 A HA 0.868 5.188 4.320 -0.001 0.000 0.304 1075 A C -2.473 175.081 177.584 -0.050 0.000 1.104 1075 A CA -1.406 50.606 52.037 -0.042 0.000 0.757 1075 A CB 1.144 20.121 19.000 -0.038 0.000 1.313 1075 A HN 0.539 nan 8.150 nan 0.000 0.423 1076 P HA 0.297 nan 4.420 nan 0.000 0.271 1076 P C -2.609 174.658 177.300 -0.054 0.000 1.233 1076 P CA -0.737 62.327 63.100 -0.060 0.000 0.789 1076 P CB -0.799 30.861 31.700 -0.067 0.000 0.951 1077 P HA -0.013 nan 4.420 nan 0.000 0.262 1077 P C 0.464 177.740 177.300 -0.041 0.000 1.182 1077 P CA 0.363 63.441 63.100 -0.038 0.000 0.761 1077 P CB 0.069 31.760 31.700 -0.014 0.000 0.795 1078 S N 2.911 118.587 115.700 -0.040 0.000 2.596 1078 S HA 0.015 4.485 4.470 -0.001 0.000 0.260 1078 S C 1.131 175.709 174.600 -0.036 0.000 1.336 1078 S CA -0.539 57.638 58.200 -0.038 0.000 0.993 1078 S CB 0.148 63.326 63.200 -0.036 0.000 0.923 1078 S HN 0.375 nan 8.310 nan 0.000 0.567 1079 L N 1.297 122.500 121.223 -0.035 0.000 2.083 1079 L HA -0.013 4.327 4.340 -0.001 0.000 0.209 1079 L C 2.612 179.462 176.870 -0.033 0.000 1.083 1079 L CA 2.319 57.138 54.840 -0.034 0.000 0.752 1079 L CB -1.423 40.618 42.059 -0.031 0.000 0.899 1079 L HN 0.935 nan 8.230 nan 0.000 0.433 1080 S N -0.792 114.889 115.700 -0.031 0.000 2.368 1080 S HA -0.217 4.253 4.470 -0.001 0.000 0.225 1080 S C 2.065 176.646 174.600 -0.031 0.000 1.030 1080 S CA 1.583 59.764 58.200 -0.032 0.000 0.999 1080 S CB -0.190 62.993 63.200 -0.028 0.000 0.844 1080 S HN 0.582 nan 8.310 nan 0.000 0.459 1081 K N 0.167 120.549 120.400 -0.029 0.000 2.103 1081 K HA 0.067 4.387 4.320 -0.001 0.000 0.204 1081 K C 2.266 178.859 176.600 -0.011 0.000 1.052 1081 K CA 1.341 57.616 56.287 -0.021 0.000 0.945 1081 K CB -0.211 32.273 32.500 -0.027 0.000 0.722 1081 K HN 0.439 nan 8.250 nan 0.000 0.443 1082 M N 0.436 120.025 119.600 -0.018 0.000 2.175 1082 M HA -0.114 4.366 4.480 -0.001 0.000 0.264 1082 M C 2.114 178.399 176.300 -0.025 0.000 1.063 1082 M CA 1.462 56.751 55.300 -0.018 0.000 1.119 1082 M CB -0.274 32.307 32.600 -0.032 0.000 1.377 1082 M HN 0.116 nan 8.290 nan 0.000 0.415 1083 I N -0.149 120.400 120.570 -0.035 0.000 2.315 1083 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 1083 I C 2.599 178.677 176.117 -0.066 0.000 1.117 1083 I CA 1.096 62.367 61.300 -0.047 0.000 1.404 1083 I CB -0.371 37.595 38.000 -0.057 0.000 1.071 1083 I HN 0.305 nan 8.210 nan 0.000 0.419 1084 Q N 1.163 120.927 119.800 -0.059 0.000 2.050 1084 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 1084 Q C 2.199 178.175 176.000 -0.039 0.000 0.980 1084 Q CA 1.973 57.736 55.803 -0.068 0.000 0.840 1084 Q CB -0.193 28.533 28.738 -0.019 0.000 0.898 1084 Q HN 0.410 nan 8.270 nan 0.000 0.424 1085 M N -0.796 118.804 119.600 0.001 0.000 2.086 1085 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 1085 M C 2.181 178.510 176.300 0.049 0.000 1.067 1085 M CA 1.488 56.806 55.300 0.031 0.000 1.116 1085 M CB -0.497 32.128 32.600 0.041 0.000 1.348 1085 M HN 0.344 nan 8.290 nan 0.000 0.407 1086 A N 0.680 123.529 122.820 0.048 0.000 1.883 1086 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 1086 A C 2.349 180.063 177.584 0.216 0.000 1.186 1086 A CA 2.113 54.251 52.037 0.167 0.000 0.624 1086 A CB -1.589 17.480 19.000 0.116 0.000 0.822 1086 A HN 0.563 nan 8.150 nan 0.000 0.444 1087 G N -0.833 107.962 108.800 -0.009 0.000 2.408 1087 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.217 1087 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.217 1087 G C 1.434 176.255 174.900 -0.131 0.000 1.150 1087 G CA 0.977 45.976 45.100 -0.168 0.000 0.776 1087 G HN 0.659 nan 8.290 nan 0.000 0.542 1088 E N -0.025 120.092 120.200 -0.139 0.000 2.047 1088 E HA -0.042 4.307 4.350 -0.001 0.000 0.191 1088 E C 2.489 179.006 176.600 -0.138 0.000 0.987 1088 E CA 0.606 56.822 56.400 -0.306 0.000 0.799 1088 E CB -0.125 29.503 29.700 -0.120 0.000 0.752 1088 E HN 0.468 nan 8.360 nan 0.000 0.449 1089 I N 1.069 121.669 120.570 0.050 0.000 2.179 1089 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 1089 I C 2.526 178.652 176.117 0.016 0.000 1.088 1089 I CA 0.976 62.352 61.300 0.128 0.000 1.357 1089 I CB -0.292 37.895 38.000 0.312 0.000 1.051 1089 I HN 0.087 nan 8.210 nan 0.000 0.409 1090 A N 0.197 123.024 122.820 0.012 0.000 1.933 1090 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 1090 A C 1.961 179.482 177.584 -0.105 0.000 1.175 1090 A CA 2.303 54.199 52.037 -0.237 0.000 0.628 1090 A CB -0.692 18.206 19.000 -0.170 0.000 0.814 1090 A HN 0.454 nan 8.150 nan 0.000 0.444 1091 D N -0.786 119.652 120.400 0.063 0.000 2.117 1091 D HA -0.024 4.615 4.640 -0.001 0.000 0.198 1091 D C 2.018 178.430 176.300 0.188 0.000 0.982 1091 D CA 1.595 55.748 54.000 0.255 0.000 0.828 1091 D CB -0.390 40.638 40.800 0.380 0.000 0.967 1091 D HN 0.294 nan 8.370 nan 0.000 0.464 1092 G N -0.003 108.853 108.800 0.095 0.000 2.422 1092 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 1092 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 1092 G C 1.510 176.352 174.900 -0.096 0.000 1.146 1092 G CA 0.676 45.805 45.100 0.049 0.000 0.769 1092 G HN 0.173 nan 8.290 nan 0.000 0.547 1093 M N 1.096 120.514 119.600 -0.303 0.000 2.175 1093 M HA 0.132 4.611 4.480 -0.001 0.000 0.264 1093 M C 2.980 179.028 176.300 -0.421 0.000 1.063 1093 M CA 1.073 56.020 55.300 -0.588 0.000 1.119 1093 M CB -1.159 30.507 32.600 -1.557 0.000 1.377 1093 M HN 0.313 nan 8.290 nan 0.000 0.415 1094 A N -0.829 121.861 122.820 -0.217 0.000 1.933 1094 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 1094 A C 2.144 179.639 177.584 -0.149 0.000 1.175 1094 A CA 1.362 53.461 52.037 0.103 0.000 0.628 1094 A CB -1.092 18.152 19.000 0.406 0.000 0.814 1094 A HN 0.502 nan 8.150 nan 0.000 0.444 1095 Y N 0.517 120.499 120.300 -0.529 0.000 2.145 1095 Y HA -0.161 4.388 4.550 -0.001 0.000 0.286 1095 Y C 1.948 177.491 175.900 -0.595 0.000 1.145 1095 Y CA 1.869 59.320 58.100 -1.082 0.000 1.148 1095 Y CB -0.333 37.681 38.460 -0.744 0.000 0.981 1095 Y HN 0.213 nan 8.280 nan 0.000 0.507 1096 L N 0.230 121.218 121.223 -0.392 0.000 2.017 1096 L HA -0.274 4.065 4.340 -0.001 0.000 0.208 1096 L C 2.143 178.922 176.870 -0.152 0.000 1.073 1096 L CA 2.014 56.651 54.840 -0.338 0.000 0.745 1096 L CB -0.746 41.189 42.059 -0.207 0.000 0.894 1096 L HN 0.338 nan 8.230 nan 0.000 0.432 1097 N N -0.176 118.469 118.700 -0.091 0.000 2.166 1097 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 1097 N C 1.869 177.346 175.510 -0.054 0.000 1.019 1097 N CA 0.959 54.014 53.050 0.008 0.000 0.856 1097 N CB -0.154 38.416 38.487 0.139 0.000 0.993 1097 N HN 0.322 nan 8.380 nan 0.000 0.426 1098 A N 1.080 123.814 122.820 -0.144 0.000 2.019 1098 A HA -0.065 4.254 4.320 -0.001 0.000 0.219 1098 A C 1.506 178.994 177.584 -0.159 0.000 1.164 1098 A CA 1.087 53.056 52.037 -0.114 0.000 0.644 1098 A CB -0.087 18.841 19.000 -0.121 0.000 0.805 1098 A HN 0.283 nan 8.150 nan 0.000 0.449 1099 N N -0.183 118.377 118.700 -0.234 0.000 2.276 1099 N HA 0.077 4.817 4.740 -0.001 0.000 0.212 1099 N C -0.606 174.807 175.510 -0.161 0.000 1.127 1099 N CA 0.175 53.148 53.050 -0.129 0.000 0.834 1099 N CB 0.199 38.636 38.487 -0.083 0.000 1.014 1099 N HN 0.434 nan 8.380 nan 0.000 0.491 1100 K N -0.225 120.071 120.400 -0.173 0.000 3.192 1100 K HA -0.172 4.148 4.320 -0.001 0.000 0.278 1100 K C -0.933 175.442 176.600 -0.374 0.000 1.164 1100 K CA 0.665 56.800 56.287 -0.254 0.000 0.816 1100 K CB -1.796 30.525 32.500 -0.298 0.000 1.256 1100 K HN 0.126 nan 8.250 nan 0.000 0.497 1101 F N 0.309 120.230 119.950 -0.048 0.000 2.480 1101 F HA 0.471 4.997 4.527 -0.001 0.000 0.329 1101 F C 0.772 176.576 175.800 0.007 0.000 1.091 1101 F CA -1.069 56.923 58.000 -0.014 0.000 0.972 1101 F CB 1.585 40.580 39.000 -0.008 0.000 1.150 1101 F HN -0.127 nan 8.300 nan 0.000 0.467 1102 V N -0.259 119.801 119.914 0.245 0.000 2.815 1102 V HA 0.435 4.555 4.120 -0.001 0.000 0.314 1102 V C 0.245 176.483 176.094 0.240 0.000 1.064 1102 V CA -0.513 61.923 62.300 0.227 0.000 0.952 1102 V CB 1.688 33.630 31.823 0.199 0.000 1.020 1102 V HN 0.898 nan 8.190 nan 0.000 0.439 1103 H N 2.475 121.654 119.070 0.182 0.000 2.344 1103 H HA 0.226 4.782 4.556 -0.001 0.000 0.307 1103 H C 1.597 177.005 175.328 0.133 0.000 1.057 1103 H CA 2.078 58.217 56.048 0.152 0.000 1.373 1103 H CB 0.397 30.253 29.762 0.158 0.000 1.421 1103 H HN 0.880 nan 8.280 nan 0.000 0.532 1104 R N -1.040 119.719 120.500 0.432 0.000 3.590 1104 R HA -0.178 4.162 4.340 -0.001 0.000 0.463 1104 R C -0.330 176.175 176.300 0.342 0.000 0.657 1104 R CA 1.438 57.710 56.100 0.288 0.000 1.512 1104 R CB -1.438 28.766 30.300 -0.161 0.000 2.154 1104 R HN 0.339 nan 8.270 nan 0.000 0.409 1105 D N 0.355 121.024 120.400 0.449 0.000 2.908 1105 D HA 0.162 4.801 4.640 -0.001 0.000 0.361 1105 D C -1.036 175.160 176.300 -0.173 0.000 1.416 1105 D CA -0.415 53.727 54.000 0.238 0.000 0.796 1105 D CB 0.383 41.374 40.800 0.319 0.000 1.185 1105 D HN 0.051 nan 8.370 nan 0.000 0.451 1106 L N 1.536 122.545 121.223 -0.357 0.000 2.410 1106 L HA 0.643 4.983 4.340 -0.001 0.000 0.273 1106 L C -0.458 176.328 176.870 -0.139 0.000 1.144 1106 L CA 0.321 54.883 54.840 -0.463 0.000 0.863 1106 L CB 0.441 42.423 42.059 -0.127 0.000 1.140 1106 L HN 0.210 nan 8.230 nan 0.000 0.463 1107 A N 3.815 126.526 122.820 -0.182 0.000 2.567 1107 A HA 0.665 4.984 4.320 -0.001 0.000 0.291 1107 A C 0.455 177.986 177.584 -0.088 0.000 1.048 1107 A CA -0.166 51.739 52.037 -0.220 0.000 0.661 1107 A CB 0.111 18.564 19.000 -0.912 0.000 1.288 1107 A HN 1.103 nan 8.150 nan 0.000 0.424 1108 A N 0.628 123.458 122.820 0.017 0.000 1.940 1108 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 1108 A C 1.915 179.471 177.584 -0.046 0.000 1.176 1108 A CA 2.154 54.207 52.037 0.028 0.000 0.631 1108 A CB -0.676 18.375 19.000 0.084 0.000 0.814 1108 A HN 1.163 nan 8.150 nan 0.000 0.446 1109 R N -0.975 119.420 120.500 -0.174 0.000 2.241 1109 R HA -0.016 4.324 4.340 -0.001 0.000 0.224 1109 R C 0.274 176.569 176.300 -0.009 0.000 1.101 1109 R CA 1.489 57.491 56.100 -0.163 0.000 0.995 1109 R CB -0.393 29.707 30.300 -0.332 0.000 0.870 1109 R HN 0.337 nan 8.270 nan 0.000 0.463 1110 N N -0.085 118.603 118.700 -0.020 0.000 2.238 1110 N HA 0.134 4.874 4.740 -0.001 0.000 0.222 1110 N C -0.972 174.588 175.510 0.082 0.000 1.133 1110 N CA -0.151 52.936 53.050 0.062 0.000 0.854 1110 N CB 0.671 39.213 38.487 0.092 0.000 1.041 1110 N HN 0.132 nan 8.380 nan 0.000 0.510 1111 C N 1.114 120.447 119.300 0.056 0.000 2.435 1111 C HA 0.599 5.059 4.460 -0.001 0.000 0.333 1111 C C 0.017 175.039 174.990 0.053 0.000 1.202 1111 C CA -0.779 58.278 59.018 0.065 0.000 1.830 1111 C CB 1.139 28.918 27.740 0.066 0.000 2.326 1111 C HN 0.184 nan 8.230 nan 0.000 0.507 1112 M N 2.276 121.898 119.600 0.038 0.000 2.602 1112 M HA 0.554 5.033 4.480 -0.001 0.000 0.312 1112 M C -0.774 175.511 176.300 -0.025 0.000 1.181 1112 M CA -0.628 54.680 55.300 0.012 0.000 0.910 1112 M CB 1.603 34.206 32.600 0.005 0.000 1.723 1112 M HN 0.310 nan 8.290 nan 0.000 0.459 1113 V N 1.600 121.473 119.914 -0.069 0.000 2.384 1113 V HA 0.708 4.828 4.120 -0.001 0.000 0.287 1113 V C 0.386 176.381 176.094 -0.164 0.000 1.020 1113 V CA -0.988 61.221 62.300 -0.152 0.000 0.850 1113 V CB 1.128 32.761 31.823 -0.318 0.000 0.987 1113 V HN 1.012 nan 8.190 nan 0.000 0.436 1114 A N 2.896 125.624 122.820 -0.153 0.000 2.259 1114 A HA 0.500 4.819 4.320 -0.001 0.000 0.278 1114 A C 1.317 178.748 177.584 -0.256 0.000 1.107 1114 A CA 0.063 52.008 52.037 -0.154 0.000 0.828 1114 A CB 0.295 19.233 19.000 -0.102 0.000 1.111 1114 A HN 0.935 nan 8.150 nan 0.000 0.498 1115 E N 0.241 120.319 120.200 -0.203 0.000 2.097 1115 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 1115 E C 0.936 177.342 176.600 -0.323 0.000 1.000 1115 E CA 2.203 58.455 56.400 -0.246 0.000 0.804 1115 E CB -0.136 29.490 29.700 -0.123 0.000 0.740 1115 E HN 0.722 nan 8.360 nan 0.000 0.454 1116 D N -1.477 118.830 120.400 -0.154 0.000 2.319 1116 D HA -0.067 4.572 4.640 -0.001 0.000 0.230 1116 D C -0.051 176.340 176.300 0.152 0.000 1.094 1116 D CA -0.170 53.835 54.000 0.007 0.000 0.856 1116 D CB -0.552 40.297 40.800 0.083 0.000 0.915 1116 D HN 0.296 nan 8.370 nan 0.000 0.517 1117 F N -1.233 118.700 119.950 -0.028 0.000 2.656 1117 F HA -0.244 4.283 4.527 -0.001 0.000 0.381 1117 F C 0.452 176.219 175.800 -0.054 0.000 0.603 1117 F CA 0.768 58.720 58.000 -0.079 0.000 1.335 1117 F CB -2.501 36.473 39.000 -0.043 0.000 1.836 1117 F HN -0.098 nan 8.300 nan 0.000 0.290 1118 T N 1.842 116.462 114.554 0.111 0.000 2.916 1118 T HA 0.451 4.800 4.350 -0.001 0.000 0.303 1118 T C 0.486 175.226 174.700 0.067 0.000 1.025 1118 T CA -0.180 61.998 62.100 0.131 0.000 1.142 1118 T CB 1.349 70.299 68.868 0.137 0.000 0.947 1118 T HN 0.024 nan 8.240 nan 0.000 0.544 1119 V N 4.888 124.862 119.914 0.100 0.000 2.481 1119 V HA 0.478 4.598 4.120 -0.001 0.000 0.286 1119 V C 0.225 176.384 176.094 0.109 0.000 1.042 1119 V CA -0.517 61.822 62.300 0.064 0.000 0.928 1119 V CB 1.367 33.225 31.823 0.059 0.000 0.986 1119 V HN 0.773 nan 8.190 nan 0.000 0.462 1120 K N 3.724 124.164 120.400 0.067 0.000 2.482 1120 K HA 0.591 4.911 4.320 -0.001 0.000 0.257 1120 K C -1.366 175.273 176.600 0.065 0.000 0.969 1120 K CA -1.039 55.293 56.287 0.075 0.000 0.842 1120 K CB 2.368 34.872 32.500 0.007 0.000 1.359 1120 K HN 0.317 nan 8.250 nan 0.000 0.441 1121 I N 2.293 122.905 120.570 0.070 0.000 2.533 1121 I HA 0.058 4.228 4.170 -0.001 0.000 0.284 1121 I C 1.122 177.287 176.117 0.081 0.000 1.109 1121 I CA 0.294 61.648 61.300 0.091 0.000 1.412 1121 I CB -0.048 38.002 38.000 0.084 0.000 1.396 1121 I HN 0.707 nan 8.210 nan 0.000 0.543 1122 G N 6.068 114.932 108.800 0.108 0.000 2.572 1122 G HA2 0.293 4.252 3.960 -0.001 0.000 0.261 1122 G HA3 0.293 4.252 3.960 -0.001 0.000 0.261 1122 G C -0.097 174.848 174.900 0.076 0.000 1.197 1122 G CA -0.528 44.619 45.100 0.078 0.000 0.870 1122 G HN 0.730 nan 8.290 nan 0.000 0.548 1123 D N -0.734 119.681 120.400 0.024 0.000 2.387 1123 D HA 0.316 4.956 4.640 -0.001 0.000 0.251 1123 D C 0.514 176.817 176.300 0.004 0.000 1.141 1123 D CA -0.705 53.300 54.000 0.008 0.000 0.987 1123 D CB 0.806 41.553 40.800 -0.088 0.000 1.116 1123 D HN 0.309 nan 8.370 nan 0.000 0.491 1124 F N -1.665 118.277 119.950 -0.012 0.000 2.539 1124 F HA 0.382 4.909 4.527 -0.001 0.000 0.340 1124 F C 1.521 177.386 175.800 0.108 0.000 1.185 1124 F CA -0.046 57.975 58.000 0.035 0.000 1.333 1124 F CB -0.181 38.828 39.000 0.014 0.000 1.152 1124 F HN 0.574 nan 8.300 nan 0.000 0.602 1125 G N 3.116 112.068 108.800 0.253 0.000 2.258 1125 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.274 1125 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.274 1125 G C 0.404 175.333 174.900 0.048 0.000 1.021 1125 G CA 0.518 45.742 45.100 0.207 0.000 0.798 1125 G HN 0.620 nan 8.290 nan 0.000 0.507 1126 M N -0.097 119.517 119.600 0.024 0.000 2.331 1126 M HA 0.109 4.588 4.480 -0.001 0.000 0.266 1126 M C 1.139 177.475 176.300 0.060 0.000 1.055 1126 M CA 0.627 55.937 55.300 0.016 0.000 1.048 1126 M CB -0.519 32.075 32.600 -0.010 0.000 1.460 1126 M HN 0.157 nan 8.290 nan 0.000 0.519 1127 T N 3.083 117.692 114.554 0.091 0.000 2.866 1127 T HA 0.040 4.389 4.350 -0.001 0.000 0.293 1127 T C 0.712 175.486 174.700 0.122 0.000 1.005 1127 T CA 0.256 62.442 62.100 0.142 0.000 1.162 1127 T CB 0.234 69.197 68.868 0.157 0.000 0.968 1127 T HN 0.250 nan 8.240 nan 0.000 0.530 1128 R N 2.582 123.183 120.500 0.167 0.000 2.623 1128 R HA 0.010 4.350 4.340 -0.001 0.000 0.271 1128 R C 1.293 177.573 176.300 -0.033 0.000 1.043 1128 R CA -0.255 55.857 56.100 0.020 0.000 1.083 1128 R CB 0.354 30.589 30.300 -0.109 0.000 0.974 1128 R HN 0.763 nan 8.270 nan 0.000 0.436 1129 D N 3.222 123.579 120.400 -0.072 0.000 2.182 1129 D HA -0.233 4.406 4.640 -0.001 0.000 0.201 1129 D C 1.590 177.840 176.300 -0.083 0.000 0.986 1129 D CA 1.459 55.423 54.000 -0.060 0.000 0.847 1129 D CB -0.470 40.293 40.800 -0.061 0.000 0.942 1129 D HN 0.731 nan 8.370 nan 0.000 0.467 1130 I N -3.212 117.228 120.570 -0.217 0.000 2.916 1130 I HA -0.124 4.045 4.170 -0.001 0.000 0.267 1130 I C 0.847 176.859 176.117 -0.175 0.000 1.263 1130 I CA 0.774 61.926 61.300 -0.247 0.000 1.471 1130 I CB -0.551 37.220 38.000 -0.381 0.000 1.089 1130 I HN -0.180 nan 8.210 nan 0.000 0.468 1131 Y N 1.381 121.743 120.300 0.102 0.000 2.493 1131 Y HA 0.221 4.771 4.550 -0.001 0.000 0.275 1131 Y C 2.136 178.178 175.900 0.237 0.000 1.183 1131 Y CA -0.582 57.604 58.100 0.143 0.000 1.258 1131 Y CB -0.638 37.895 38.460 0.121 0.000 1.108 1131 Y HN 0.335 nan 8.280 nan 0.000 0.521 1132 E N -0.085 120.287 120.200 0.287 0.000 2.268 1132 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 1132 E C 2.001 178.818 176.600 0.361 0.000 0.995 1132 E CA 1.230 57.803 56.400 0.287 0.000 0.836 1132 E CB 0.177 29.945 29.700 0.114 0.000 0.763 1132 E HN 0.286 nan 8.360 nan 0.000 0.491 1133 T N -0.054 114.673 114.554 0.289 0.000 3.072 1133 T HA -0.088 4.262 4.350 -0.001 0.000 0.266 1133 T C 0.674 175.537 174.700 0.271 0.000 1.127 1133 T CA 1.057 63.307 62.100 0.251 0.000 1.107 1133 T CB -0.165 68.824 68.868 0.202 0.000 0.910 1133 T HN 0.113 nan 8.240 nan 0.000 0.513 1134 D N 0.183 120.750 120.400 0.278 0.000 2.336 1134 D HA 0.148 4.787 4.640 -0.001 0.000 0.229 1134 D C -0.578 175.637 176.300 -0.141 0.000 1.061 1134 D CA 0.388 54.444 54.000 0.095 0.000 0.875 1134 D CB 0.021 40.705 40.800 -0.195 0.000 0.904 1134 D HN 0.507 nan 8.370 nan 0.000 0.525 1135 Y N -0.712 119.717 120.300 0.215 0.000 2.524 1135 Y HA 0.438 4.988 4.550 -0.001 0.000 0.344 1135 Y C -0.575 175.487 175.900 0.270 0.000 1.012 1135 Y CA -1.423 56.807 58.100 0.217 0.000 1.068 1135 Y CB 1.376 39.919 38.460 0.138 0.000 1.249 1135 Y HN -0.213 nan 8.280 nan 0.000 0.468 1136 Y N 1.519 121.970 120.300 0.252 0.000 2.477 1136 Y HA 0.528 5.077 4.550 -0.001 0.000 0.347 1136 Y C -0.541 175.443 175.900 0.141 0.000 0.981 1136 Y CA -2.027 56.172 58.100 0.164 0.000 1.033 1136 Y CB 1.489 40.022 38.460 0.122 0.000 1.245 1136 Y HN 0.527 nan 8.280 nan 0.000 0.455 1137 R N 4.780 125.030 120.500 -0.416 0.000 3.688 1137 R HA 0.068 4.407 4.340 -0.001 0.000 0.194 1137 R C -0.252 175.482 176.300 -0.944 0.000 1.677 1137 R CA -0.250 55.565 56.100 -0.476 0.000 1.351 1137 R CB -0.470 29.696 30.300 -0.223 0.000 1.338 1137 R HN 0.618 nan 8.270 nan 0.000 0.731 1138 K N 0.245 120.145 120.400 -0.834 0.000 2.466 1138 K HA -0.043 4.277 4.320 -0.001 0.000 0.278 1138 K C 0.933 177.378 176.600 -0.259 0.000 1.048 1138 K CA 1.189 57.148 56.287 -0.547 0.000 1.088 1138 K CB 0.179 32.610 32.500 -0.115 0.000 0.884 1138 K HN 0.693 nan 8.250 nan 0.000 0.478 1139 G N 2.988 111.695 108.800 -0.154 0.000 2.196 1139 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.268 1139 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.268 1139 G C 0.758 175.613 174.900 -0.075 0.000 0.975 1139 G CA 0.508 45.571 45.100 -0.061 0.000 0.648 1139 G HN 1.582 nan 8.290 nan 0.000 0.538 1140 G N -1.411 107.304 108.800 -0.143 0.000 2.141 1140 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.242 1140 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.242 1140 G C 0.559 175.410 174.900 -0.081 0.000 0.982 1140 G CA 1.538 46.580 45.100 -0.097 0.000 0.662 1140 G HN 0.920 nan 8.290 nan 0.000 0.527 1141 K N -0.115 120.228 120.400 -0.094 0.000 2.385 1141 K HA 0.597 4.916 4.320 -0.001 0.000 0.274 1141 K C 1.548 178.112 176.600 -0.061 0.000 0.981 1141 K CA -0.341 55.910 56.287 -0.059 0.000 1.400 1141 K CB -0.090 32.387 32.500 -0.038 0.000 2.019 1141 K HN 0.281 nan 8.250 nan 0.000 0.855 1142 G N 0.805 109.583 108.800 -0.038 0.000 2.699 1142 G HA2 0.174 4.134 3.960 -0.001 0.000 0.246 1142 G HA3 0.174 4.134 3.960 -0.001 0.000 0.246 1142 G C -0.315 174.575 174.900 -0.016 0.000 1.219 1142 G CA -0.475 44.608 45.100 -0.027 0.000 0.866 1142 G HN 0.244 nan 8.290 nan 0.000 0.572 1143 L N 0.266 121.492 121.223 0.003 0.000 2.361 1143 L HA 0.298 4.638 4.340 -0.001 0.000 0.278 1143 L C 0.074 177.057 176.870 0.188 0.000 1.113 1143 L CA 0.036 54.920 54.840 0.074 0.000 0.849 1143 L CB 0.361 42.428 42.059 0.013 0.000 1.155 1143 L HN 0.183 nan 8.230 nan 0.000 0.452 1144 L N 6.131 127.514 121.223 0.265 0.000 2.365 1144 L HA 0.455 4.794 4.340 -0.001 0.000 0.273 1144 L C -2.084 175.008 176.870 0.370 0.000 1.000 1144 L CA -1.653 53.381 54.840 0.324 0.000 0.819 1144 L CB 2.622 44.823 42.059 0.237 0.000 1.284 1144 L HN 0.383 nan 8.230 nan 0.000 0.418 1145 P HA 0.011 nan 4.420 nan 0.000 0.220 1145 P C 1.067 178.568 177.300 0.334 0.000 1.806 1145 P CA -0.196 62.968 63.100 0.107 0.000 0.976 1145 P CB 0.248 31.927 31.700 -0.036 0.000 1.952 1146 V N 1.054 121.147 119.914 0.298 0.000 2.453 1146 V HA -0.274 3.846 4.120 -0.001 0.000 0.252 1146 V C 2.058 178.251 176.094 0.164 0.000 1.068 1146 V CA 1.437 63.872 62.300 0.226 0.000 1.070 1146 V CB -1.493 30.460 31.823 0.217 0.000 0.664 1146 V HN 0.180 nan 8.190 nan 0.000 0.461 1147 R N -1.272 119.358 120.500 0.217 0.000 2.316 1147 R HA 0.050 4.390 4.340 -0.001 0.000 0.202 1147 R C 1.704 177.948 176.300 -0.094 0.000 1.029 1147 R CA 1.324 57.424 56.100 -0.001 0.000 1.018 1147 R CB -0.164 30.009 30.300 -0.211 0.000 0.888 1147 R HN 0.666 nan 8.270 nan 0.000 0.471 1148 W N -0.412 120.994 121.300 0.178 0.000 2.870 1148 W HA 0.293 4.953 4.660 -0.001 0.000 0.358 1148 W C -0.013 176.699 176.519 0.320 0.000 1.043 1148 W CA -0.498 57.002 57.345 0.258 0.000 1.692 1148 W CB 0.356 29.923 29.460 0.178 0.000 1.100 1148 W HN -0.013 nan 8.180 nan 0.000 0.557 1149 M N 1.128 120.924 119.600 0.326 0.000 2.249 1149 M HA 0.098 4.578 4.480 -0.001 0.000 0.351 1149 M C 1.126 177.150 176.300 -0.460 0.000 1.180 1149 M CA 0.171 55.500 55.300 0.049 0.000 1.127 1149 M CB 1.332 33.942 32.600 0.017 0.000 1.546 1149 M HN -0.257 nan 8.290 nan 0.000 0.461 1150 S N 2.308 117.547 115.700 -0.768 0.000 2.600 1150 S HA 0.254 4.724 4.470 -0.001 0.000 0.265 1150 S C -2.163 171.816 174.600 -1.034 0.000 1.325 1150 S CA -1.092 56.234 58.200 -1.456 0.000 1.002 1150 S CB 0.437 63.160 63.200 -0.794 0.000 0.921 1150 S HN 0.446 nan 8.310 nan 0.000 0.554 1151 P HA -0.166 nan 4.420 nan 0.000 0.215 1151 P C 1.673 178.659 177.300 -0.522 0.000 1.153 1151 P CA 1.442 64.098 63.100 -0.741 0.000 0.853 1151 P CB -0.065 31.058 31.700 -0.963 0.000 0.788 1152 E N -0.599 119.284 120.200 -0.527 0.000 2.208 1152 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 1152 E C 1.619 178.018 176.600 -0.334 0.000 0.988 1152 E CA 1.311 57.503 56.400 -0.345 0.000 0.828 1152 E CB -1.058 28.480 29.700 -0.269 0.000 0.763 1152 E HN 0.145 nan 8.360 nan 0.000 0.478 1153 S N 1.135 116.549 115.700 -0.476 0.000 2.371 1153 S HA 0.043 4.512 4.470 -0.001 0.000 0.224 1153 S C 2.125 176.515 174.600 -0.349 0.000 1.029 1153 S CA 0.733 58.562 58.200 -0.618 0.000 0.978 1153 S CB -0.186 62.373 63.200 -1.069 0.000 0.833 1153 S HN 0.199 nan 8.310 nan 0.000 0.466 1154 L N 1.137 122.182 121.223 -0.297 0.000 2.056 1154 L HA -0.043 4.297 4.340 -0.001 0.000 0.207 1154 L C 2.553 179.356 176.870 -0.112 0.000 1.078 1154 L CA 1.220 55.963 54.840 -0.162 0.000 0.749 1154 L CB -0.330 41.622 42.059 -0.179 0.000 0.901 1154 L HN 0.237 nan 8.230 nan 0.000 0.433 1155 K N -0.371 119.944 120.400 -0.140 0.000 2.067 1155 K HA -0.104 4.216 4.320 -0.001 0.000 0.203 1155 K C 1.065 177.627 176.600 -0.063 0.000 1.048 1155 K CA 1.338 57.573 56.287 -0.086 0.000 0.954 1155 K CB 0.268 32.717 32.500 -0.085 0.000 0.737 1155 K HN 0.222 nan 8.250 nan 0.000 0.444 1156 D N -1.396 118.954 120.400 -0.083 0.000 2.417 1156 D HA 0.112 4.751 4.640 -0.001 0.000 0.207 1156 D C 0.777 177.063 176.300 -0.023 0.000 1.075 1156 D CA 0.801 54.772 54.000 -0.047 0.000 0.851 1156 D CB 1.139 41.909 40.800 -0.050 0.000 0.976 1156 D HN 0.475 nan 8.370 nan 0.000 0.505 1157 G N 1.528 110.304 108.800 -0.040 0.000 2.148 1157 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.254 1157 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.254 1157 G C 0.518 175.494 174.900 0.126 0.000 0.981 1157 G CA 0.603 45.738 45.100 0.058 0.000 0.670 1157 G HN 0.409 nan 8.290 nan 0.000 0.528 1158 V N -2.294 117.609 119.914 -0.018 0.000 2.539 1158 V HA 0.891 5.010 4.120 -0.001 0.000 0.292 1158 V C -0.092 175.956 176.094 -0.076 0.000 1.045 1158 V CA -1.532 60.802 62.300 0.056 0.000 0.945 1158 V CB 1.320 33.151 31.823 0.012 0.000 0.993 1158 V HN 0.296 nan 8.190 nan 0.000 0.464 1159 F N 2.702 122.668 119.950 0.027 0.000 2.529 1159 F HA 0.821 5.347 4.527 -0.001 0.000 0.320 1159 F C 0.572 176.390 175.800 0.030 0.000 1.118 1159 F CA -0.056 57.974 58.000 0.049 0.000 0.915 1159 F CB 2.301 41.349 39.000 0.080 0.000 1.161 1159 F HN 0.979 nan 8.300 nan 0.000 0.445 1160 T N -2.667 111.984 114.554 0.162 0.000 2.696 1160 T HA 0.230 4.579 4.350 -0.001 0.000 0.291 1160 T C 0.701 175.425 174.700 0.041 0.000 1.095 1160 T CA -0.153 61.955 62.100 0.014 0.000 1.026 1160 T CB 1.398 70.151 68.868 -0.193 0.000 1.390 1160 T HN 0.458 nan 8.240 nan 0.000 0.513 1161 T N -1.127 113.369 114.554 -0.097 0.000 2.833 1161 T HA -0.072 4.278 4.350 -0.001 0.000 0.269 1161 T C 1.270 176.037 174.700 0.112 0.000 1.054 1161 T CA 1.538 63.670 62.100 0.053 0.000 1.135 1161 T CB -0.980 67.889 68.868 0.002 0.000 0.869 1161 T HN 0.584 nan 8.240 nan 0.000 0.466 1162 Y N 1.534 121.882 120.300 0.080 0.000 2.224 1162 Y HA -0.128 4.422 4.550 -0.001 0.000 0.289 1162 Y C 3.131 179.098 175.900 0.112 0.000 1.146 1162 Y CA 0.803 58.931 58.100 0.046 0.000 1.182 1162 Y CB -0.317 38.158 38.460 0.026 0.000 0.983 1162 Y HN 0.367 nan 8.280 nan 0.000 0.524 1163 S N -0.615 115.245 115.700 0.268 0.000 2.428 1163 S HA -0.147 4.323 4.470 -0.001 0.000 0.230 1163 S C 1.327 176.152 174.600 0.375 0.000 1.014 1163 S CA 1.157 59.500 58.200 0.238 0.000 0.957 1163 S CB -0.265 62.967 63.200 0.052 0.000 0.784 1163 S HN 0.314 nan 8.310 nan 0.000 0.499 1164 D N 1.683 122.314 120.400 0.386 0.000 2.144 1164 D HA 0.001 4.640 4.640 -0.001 0.000 0.200 1164 D C 2.028 178.656 176.300 0.547 0.000 0.978 1164 D CA 0.749 55.050 54.000 0.502 0.000 0.833 1164 D CB -0.416 40.731 40.800 0.577 0.000 0.961 1164 D HN 0.305 nan 8.370 nan 0.000 0.470 1165 V N 0.866 120.934 119.914 0.258 0.000 2.427 1165 V HA -0.183 3.937 4.120 -0.001 0.000 0.248 1165 V C 2.127 178.410 176.094 0.315 0.000 1.051 1165 V CA 1.124 63.428 62.300 0.006 0.000 1.048 1165 V CB -0.397 31.259 31.823 -0.278 0.000 0.666 1165 V HN 0.408 nan 8.190 nan 0.000 0.456 1166 W N 1.093 122.532 121.300 0.232 0.000 2.355 1166 W HA -0.200 4.459 4.660 -0.001 0.000 0.309 1166 W C 2.449 179.230 176.519 0.437 0.000 1.206 1166 W CA 2.067 59.613 57.345 0.335 0.000 1.284 1166 W CB -0.558 29.041 29.460 0.232 0.000 1.145 1166 W HN 0.325 nan 8.180 nan 0.000 0.502 1167 S N 0.807 116.932 115.700 0.708 0.000 2.382 1167 S HA -0.229 4.240 4.470 -0.001 0.000 0.228 1167 S C 1.536 176.452 174.600 0.528 0.000 1.027 1167 S CA 1.568 60.152 58.200 0.640 0.000 0.991 1167 S CB -1.034 62.512 63.200 0.577 0.000 0.823 1167 S HN 0.348 nan 8.310 nan 0.000 0.469 1168 F N 2.700 122.868 119.950 0.362 0.000 2.171 1168 F HA -0.031 4.495 4.527 -0.001 0.000 0.300 1168 F C 2.224 178.128 175.800 0.174 0.000 1.090 1168 F CA 1.226 59.407 58.000 0.302 0.000 1.293 1168 F CB -0.941 38.312 39.000 0.422 0.000 1.013 1168 F HN 0.208 nan 8.300 nan 0.000 0.486 1169 G N -0.005 108.853 108.800 0.097 0.000 2.440 1169 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 1169 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 1169 G C 1.705 176.646 174.900 0.068 0.000 1.154 1169 G CA 1.235 46.172 45.100 -0.271 0.000 0.767 1169 G HN 0.348 nan 8.290 nan 0.000 0.552 1170 V N 0.520 120.644 119.914 0.350 0.000 2.427 1170 V HA -0.141 3.979 4.120 -0.001 0.000 0.248 1170 V C 2.989 179.265 176.094 0.302 0.000 1.051 1170 V CA 1.280 63.765 62.300 0.309 0.000 1.048 1170 V CB -0.235 31.623 31.823 0.057 0.000 0.666 1170 V HN 0.247 nan 8.190 nan 0.000 0.456 1171 V N -0.112 119.944 119.914 0.236 0.000 2.407 1171 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 1171 V C 2.304 178.406 176.094 0.012 0.000 1.055 1171 V CA 1.770 64.168 62.300 0.164 0.000 1.049 1171 V CB -0.515 31.353 31.823 0.076 0.000 0.662 1171 V HN 0.451 nan 8.190 nan 0.000 0.455 1172 L N -1.640 119.480 121.223 -0.173 0.000 2.083 1172 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 1172 L C 2.308 179.183 176.870 0.008 0.000 1.083 1172 L CA 2.082 56.806 54.840 -0.192 0.000 0.752 1172 L CB -0.527 41.326 42.059 -0.343 0.000 0.899 1172 L HN 0.510 nan 8.230 nan 0.000 0.433 1173 W N 1.386 122.657 121.300 -0.048 0.000 2.363 1173 W HA -0.174 4.486 4.660 -0.001 0.000 0.296 1173 W C 2.407 178.929 176.519 0.005 0.000 1.212 1173 W CA 1.491 58.855 57.345 0.032 0.000 1.260 1173 W CB 0.073 29.617 29.460 0.140 0.000 1.131 1173 W HN 0.095 nan 8.180 nan 0.000 0.530 1174 E N 0.082 120.449 120.200 0.278 0.000 2.077 1174 E HA -0.246 4.104 4.350 -0.001 0.000 0.193 1174 E C 2.121 178.711 176.600 -0.017 0.000 0.989 1174 E CA 1.798 58.292 56.400 0.156 0.000 0.800 1174 E CB -0.498 29.364 29.700 0.270 0.000 0.746 1174 E HN 0.346 nan 8.360 nan 0.000 0.452 1175 I N 1.106 121.673 120.570 -0.006 0.000 2.208 1175 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 1175 I C 2.458 178.516 176.117 -0.099 0.000 1.097 1175 I CA 1.057 62.340 61.300 -0.029 0.000 1.363 1175 I CB -0.249 37.736 38.000 -0.024 0.000 1.051 1175 I HN 0.076 nan 8.210 nan 0.000 0.413 1176 A N 0.073 122.796 122.820 -0.162 0.000 2.119 1176 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 1176 A C 2.094 179.488 177.584 -0.317 0.000 1.153 1176 A CA 1.844 53.750 52.037 -0.217 0.000 0.692 1176 A CB -0.759 18.110 19.000 -0.218 0.000 0.799 1176 A HN 0.531 nan 8.150 nan 0.000 0.458 1177 T N -3.954 110.345 114.554 -0.424 0.000 3.085 1177 T HA 0.448 4.797 4.350 -0.001 0.000 0.264 1177 T C 0.474 175.017 174.700 -0.262 0.000 1.019 1177 T CA 0.184 62.004 62.100 -0.466 0.000 0.910 1177 T CB -0.480 67.858 68.868 -0.883 0.000 1.059 1177 T HN 0.560 nan 8.240 nan 0.000 0.542 1178 L N 0.455 121.575 121.223 -0.172 0.000 3.608 1178 L HA -0.226 4.114 4.340 -0.001 0.000 0.422 1178 L C 0.849 177.687 176.870 -0.054 0.000 1.260 1178 L CA 0.118 54.901 54.840 -0.095 0.000 0.889 1178 L CB -2.443 39.558 42.059 -0.096 0.000 1.821 1178 L HN 0.779 nan 8.230 nan 0.000 0.884 1179 A N -1.307 121.491 122.820 -0.037 0.000 2.876 1179 A HA -0.153 4.167 4.320 -0.001 0.000 0.287 1179 A C 0.777 178.407 177.584 0.076 0.000 1.455 1179 A CA 1.367 53.434 52.037 0.049 0.000 0.744 1179 A CB -0.878 18.162 19.000 0.067 0.000 1.041 1179 A HN 0.524 nan 8.150 nan 0.000 0.500 1180 E N 0.506 120.721 120.200 0.025 0.000 2.371 1180 E HA 0.264 4.614 4.350 -0.001 0.000 0.257 1180 E C 0.513 177.282 176.600 0.282 0.000 1.134 1180 E CA -0.295 56.164 56.400 0.099 0.000 0.919 1180 E CB 0.292 29.996 29.700 0.008 0.000 1.025 1180 E HN 0.579 nan 8.360 nan 0.000 0.438 1181 Q N 1.393 121.333 119.800 0.234 0.000 2.296 1181 Q HA 0.266 4.605 4.340 -0.001 0.000 0.262 1181 Q C -2.123 173.929 176.000 0.087 0.000 0.981 1181 Q CA -1.841 54.075 55.803 0.188 0.000 0.905 1181 Q CB 0.189 29.012 28.738 0.143 0.000 1.186 1181 Q HN 0.085 nan 8.270 nan 0.000 0.399 1182 P HA -0.028 nan 4.420 nan 0.000 0.268 1182 P C -0.999 176.005 177.300 -0.493 0.000 1.204 1182 P CA 0.069 62.669 63.100 -0.832 0.000 0.768 1182 P CB 0.170 31.199 31.700 -1.118 0.000 0.842 1183 Y N -0.025 120.001 120.300 -0.457 0.000 3.689 1183 Y HA -0.270 4.280 4.550 -0.001 0.000 0.221 1183 Y C 1.892 177.677 175.900 -0.191 0.000 1.247 1183 Y CA 0.346 58.259 58.100 -0.313 0.000 1.671 1183 Y CB -2.699 35.580 38.460 -0.302 0.000 1.521 1183 Y HN 0.420 nan 8.280 nan 0.000 0.632 1184 Q N 0.801 120.580 119.800 -0.034 0.000 2.103 1184 Q HA -0.219 4.121 4.340 -0.001 0.000 0.213 1184 Q C 2.183 178.178 176.000 -0.008 0.000 1.008 1184 Q CA 2.251 58.061 55.803 0.011 0.000 0.879 1184 Q CB -0.592 28.171 28.738 0.043 0.000 0.946 1184 Q HN 0.796 nan 8.270 nan 0.000 0.413 1185 G N -0.400 108.380 108.800 -0.034 0.000 3.210 1185 G HA2 0.279 4.239 3.960 -0.001 0.000 0.220 1185 G HA3 0.279 4.239 3.960 -0.001 0.000 0.220 1185 G C 0.193 175.046 174.900 -0.077 0.000 1.200 1185 G CA -0.170 44.900 45.100 -0.051 0.000 0.834 1185 G HN 0.151 nan 8.290 nan 0.000 0.524 1186 L N 0.854 122.030 121.223 -0.077 0.000 2.381 1186 L HA 0.436 4.776 4.340 -0.001 0.000 0.268 1186 L C 0.447 177.260 176.870 -0.094 0.000 0.997 1186 L CA -0.993 53.782 54.840 -0.108 0.000 0.818 1186 L CB 2.302 44.260 42.059 -0.168 0.000 1.310 1186 L HN 0.110 nan 8.230 nan 0.000 0.416 1187 S N 0.273 115.909 115.700 -0.108 0.000 2.614 1187 S HA 0.189 4.658 4.470 -0.001 0.000 0.265 1187 S C 0.790 175.276 174.600 -0.190 0.000 1.303 1187 S CA -0.673 57.452 58.200 -0.126 0.000 1.000 1187 S CB 0.905 64.034 63.200 -0.118 0.000 0.935 1187 S HN 0.630 nan 8.310 nan 0.000 0.551 1188 N N 1.122 119.653 118.700 -0.282 0.000 2.104 1188 N HA -0.164 4.575 4.740 -0.001 0.000 0.190 1188 N C 1.591 176.863 175.510 -0.396 0.000 1.024 1188 N CA 1.677 54.477 53.050 -0.417 0.000 0.853 1188 N CB -0.629 37.361 38.487 -0.829 0.000 1.008 1188 N HN 0.838 nan 8.380 nan 0.000 0.424 1189 E N 1.431 121.408 120.200 -0.371 0.000 2.110 1189 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 1189 E C 1.793 178.327 176.600 -0.110 0.000 0.988 1189 E CA 1.250 57.544 56.400 -0.177 0.000 0.804 1189 E CB -0.101 29.538 29.700 -0.102 0.000 0.745 1189 E HN 0.409 nan 8.360 nan 0.000 0.458 1190 Q N -0.599 119.127 119.800 -0.123 0.000 2.167 1190 Q HA -0.085 4.255 4.340 -0.001 0.000 0.202 1190 Q C 2.226 178.165 176.000 -0.102 0.000 0.970 1190 Q CA 1.368 57.115 55.803 -0.094 0.000 0.855 1190 Q CB 0.105 28.778 28.738 -0.108 0.000 0.911 1190 Q HN 0.209 nan 8.270 nan 0.000 0.438 1191 V N 1.325 121.132 119.914 -0.179 0.000 2.343 1191 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 1191 V C 2.220 178.196 176.094 -0.197 0.000 1.051 1191 V CA 1.506 63.636 62.300 -0.283 0.000 1.036 1191 V CB -0.607 30.981 31.823 -0.391 0.000 0.654 1191 V HN 0.352 nan 8.190 nan 0.000 0.451 1192 L N -0.295 120.850 121.223 -0.129 0.000 2.013 1192 L HA -0.265 4.075 4.340 -0.001 0.000 0.212 1192 L C 2.739 179.571 176.870 -0.063 0.000 1.073 1192 L CA 2.301 57.094 54.840 -0.077 0.000 0.753 1192 L CB -0.730 41.325 42.059 -0.006 0.000 0.890 1192 L HN 0.271 nan 8.230 nan 0.000 0.432 1193 R N -0.401 120.082 120.500 -0.029 0.000 2.066 1193 R HA -0.190 4.150 4.340 -0.001 0.000 0.232 1193 R C 2.454 178.764 176.300 0.017 0.000 1.131 1193 R CA 1.480 57.577 56.100 -0.004 0.000 0.955 1193 R CB -0.351 29.956 30.300 0.012 0.000 0.851 1193 R HN 0.163 nan 8.270 nan 0.000 0.432 1194 F N 0.976 120.849 119.950 -0.129 0.000 2.065 1194 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 1194 F C 1.940 177.678 175.800 -0.104 0.000 1.112 1194 F CA 1.691 59.618 58.000 -0.120 0.000 1.212 1194 F CB -0.547 38.352 39.000 -0.168 0.000 0.975 1194 F HN -0.182 nan 8.300 nan 0.000 0.476 1195 V N 0.545 120.330 119.914 -0.215 0.000 2.358 1195 V HA -0.328 3.792 4.120 -0.001 0.000 0.246 1195 V C 2.472 178.471 176.094 -0.160 0.000 1.047 1195 V CA 2.152 64.292 62.300 -0.266 0.000 1.035 1195 V CB -0.617 31.051 31.823 -0.259 0.000 0.658 1195 V HN 0.379 nan 8.190 nan 0.000 0.452 1196 M N -0.640 118.891 119.600 -0.116 0.000 2.296 1196 M HA -0.144 4.336 4.480 -0.001 0.000 0.265 1196 M C 1.768 178.103 176.300 0.058 0.000 1.064 1196 M CA 1.498 56.789 55.300 -0.016 0.000 1.109 1196 M CB -0.323 32.252 32.600 -0.042 0.000 1.396 1196 M HN 0.383 nan 8.290 nan 0.000 0.430 1197 E N -0.409 119.753 120.200 -0.064 0.000 2.476 1197 E HA 0.095 4.445 4.350 -0.001 0.000 0.191 1197 E C 1.032 177.505 176.600 -0.210 0.000 1.064 1197 E CA 0.295 56.620 56.400 -0.125 0.000 0.866 1197 E CB 0.249 29.888 29.700 -0.101 0.000 0.952 1197 E HN 0.670 nan 8.360 nan 0.000 0.492 1198 G N 1.081 109.787 108.800 -0.157 0.000 2.179 1198 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.220 1198 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.220 1198 G C 0.524 175.270 174.900 -0.257 0.000 0.990 1198 G CA -0.347 44.661 45.100 -0.154 0.000 0.646 1198 G HN 0.451 nan 8.290 nan 0.000 0.517 1199 G N -0.322 108.085 108.800 -0.655 0.000 2.544 1199 G HA2 0.580 4.539 3.960 -0.001 0.000 0.242 1199 G HA3 0.580 4.539 3.960 -0.001 0.000 0.242 1199 G C -0.022 174.467 174.900 -0.685 0.000 1.247 1199 G CA -0.043 44.250 45.100 -1.344 0.000 0.840 1199 G HN 0.791 nan 8.290 nan 0.000 0.578 1200 L N 0.543 121.633 121.223 -0.222 0.000 2.371 1200 L HA 0.418 4.757 4.340 -0.001 0.000 0.262 1200 L C 0.027 176.968 176.870 0.118 0.000 1.006 1200 L CA -1.001 53.823 54.840 -0.027 0.000 0.818 1200 L CB 2.138 44.234 42.059 0.062 0.000 1.354 1200 L HN 0.318 nan 8.230 nan 0.000 0.415 1201 L N 1.424 122.459 121.223 -0.312 0.000 2.461 1201 L HA 0.101 4.441 4.340 -0.001 0.000 0.272 1201 L C 0.029 176.958 176.870 0.099 0.000 1.197 1201 L CA -0.050 54.548 54.840 -0.404 0.000 0.836 1201 L CB 0.196 41.567 42.059 -1.147 0.000 1.105 1201 L HN 0.501 nan 8.230 nan 0.000 0.477 1202 D N 2.196 122.680 120.400 0.140 0.000 2.339 1202 D HA 0.049 4.688 4.640 -0.001 0.000 0.245 1202 D C 0.045 176.495 176.300 0.251 0.000 1.115 1202 D CA -0.291 53.831 54.000 0.202 0.000 0.917 1202 D CB 0.985 41.849 40.800 0.107 0.000 1.192 1202 D HN 0.323 nan 8.370 nan 0.000 0.428 1203 K N 2.070 122.362 120.400 -0.181 0.000 2.447 1203 K HA 0.115 4.435 4.320 -0.001 0.000 0.281 1203 K C -2.326 174.144 176.600 -0.216 0.000 1.031 1203 K CA -0.995 54.911 56.287 -0.636 0.000 1.019 1203 K CB 0.276 31.963 32.500 -1.355 0.000 0.918 1203 K HN 0.049 nan 8.250 nan 0.000 0.476 1204 P HA -0.014 nan 4.420 nan 0.000 0.270 1204 P C -1.085 176.099 177.300 -0.193 0.000 1.223 1204 P CA -0.124 62.844 63.100 -0.219 0.000 0.785 1204 P CB 0.452 31.908 31.700 -0.406 0.000 0.923 1205 D N 1.893 122.194 120.400 -0.165 0.000 2.424 1205 D HA -0.014 4.625 4.640 -0.001 0.000 0.244 1205 D C 0.628 176.851 176.300 -0.129 0.000 1.134 1205 D CA 0.530 54.452 54.000 -0.130 0.000 0.881 1205 D CB -0.249 40.488 40.800 -0.105 0.000 1.191 1205 D HN 0.466 nan 8.370 nan 0.000 0.445 1206 N N -0.622 118.013 118.700 -0.108 0.000 2.828 1206 N HA -0.214 4.526 4.740 -0.001 0.000 0.248 1206 N C 0.006 175.460 175.510 -0.095 0.000 1.044 1206 N CA 0.059 53.054 53.050 -0.091 0.000 0.851 1206 N CB -1.313 37.124 38.487 -0.084 0.000 1.136 1206 N HN 0.419 nan 8.380 nan 0.000 0.572 1207 C N 1.940 121.172 119.300 -0.114 0.000 2.629 1207 C HA 0.273 4.732 4.460 -0.001 0.000 0.410 1207 C C -1.713 173.245 174.990 -0.053 0.000 1.339 1207 C CA -1.424 57.538 59.018 -0.094 0.000 1.810 1207 C CB -0.238 27.439 27.740 -0.106 0.000 2.549 1207 C HN 0.163 nan 8.230 nan 0.000 0.589 1208 P HA 0.080 nan 4.420 nan 0.000 0.266 1208 P C 0.431 177.744 177.300 0.022 0.000 1.195 1208 P CA 0.393 63.484 63.100 -0.014 0.000 0.768 1208 P CB 0.565 32.253 31.700 -0.020 0.000 0.838 1209 D N 2.333 122.749 120.400 0.026 0.000 2.116 1209 D HA -0.192 4.447 4.640 -0.001 0.000 0.193 1209 D C 1.670 178.011 176.300 0.068 0.000 0.998 1209 D CA 1.810 55.849 54.000 0.066 0.000 0.836 1209 D CB -0.526 40.300 40.800 0.043 0.000 0.951 1209 D HN 0.456 nan 8.370 nan 0.000 0.449 1210 M N -0.569 119.045 119.600 0.024 0.000 2.213 1210 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 1210 M C 1.944 178.235 176.300 -0.015 0.000 1.062 1210 M CA 1.479 56.778 55.300 -0.001 0.000 1.105 1210 M CB -0.783 31.810 32.600 -0.013 0.000 1.385 1210 M HN -0.055 nan 8.290 nan 0.000 0.417 1211 L N -1.100 120.122 121.223 -0.001 0.000 2.056 1211 L HA -0.055 4.284 4.340 -0.001 0.000 0.207 1211 L C 2.581 179.440 176.870 -0.020 0.000 1.078 1211 L CA 1.414 56.240 54.840 -0.023 0.000 0.749 1211 L CB -0.602 41.446 42.059 -0.019 0.000 0.901 1211 L HN 0.407 nan 8.230 nan 0.000 0.433 1212 F N 0.838 120.727 119.950 -0.101 0.000 2.186 1212 F HA -0.197 4.329 4.527 -0.001 0.000 0.299 1212 F C 2.388 178.106 175.800 -0.138 0.000 1.090 1212 F CA 1.323 59.261 58.000 -0.104 0.000 1.307 1212 F CB 0.105 39.083 39.000 -0.035 0.000 1.019 1212 F HN 0.065 nan 8.300 nan 0.000 0.489 1213 E N 0.542 120.650 120.200 -0.153 0.000 2.110 1213 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 1213 E C 2.252 178.673 176.600 -0.297 0.000 0.988 1213 E CA 1.312 57.573 56.400 -0.230 0.000 0.804 1213 E CB -0.302 29.345 29.700 -0.088 0.000 0.745 1213 E HN 0.506 nan 8.360 nan 0.000 0.458 1214 L N 0.428 121.503 121.223 -0.247 0.000 2.056 1214 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 1214 L C 2.372 178.980 176.870 -0.435 0.000 1.078 1214 L CA 1.016 55.713 54.840 -0.239 0.000 0.749 1214 L CB -0.049 41.930 42.059 -0.134 0.000 0.901 1214 L HN 0.224 nan 8.230 nan 0.000 0.433 1215 M N -1.023 118.194 119.600 -0.638 0.000 2.080 1215 M HA -0.219 4.260 4.480 -0.001 0.000 0.260 1215 M C 2.300 177.774 176.300 -1.376 0.000 1.068 1215 M CA 1.541 56.111 55.300 -1.216 0.000 1.109 1215 M CB -0.412 31.415 32.600 -1.288 0.000 1.342 1215 M HN 0.140 nan 8.290 nan 0.000 0.405 1216 R N -0.040 119.887 120.500 -0.954 0.000 2.127 1216 R HA -0.074 4.266 4.340 -0.001 0.000 0.238 1216 R C 1.951 178.045 176.300 -0.344 0.000 1.134 1216 R CA 1.253 57.020 56.100 -0.555 0.000 0.975 1216 R CB -0.615 29.389 30.300 -0.494 0.000 0.865 1216 R HN 0.425 nan 8.270 nan 0.000 0.447 1217 M N -0.710 118.682 119.600 -0.347 0.000 2.200 1217 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 1217 M C 2.342 178.521 176.300 -0.202 0.000 1.066 1217 M CA 0.989 56.163 55.300 -0.209 0.000 1.127 1217 M CB -0.942 31.555 32.600 -0.171 0.000 1.379 1217 M HN 0.090 nan 8.290 nan 0.000 0.420 1218 C N -1.103 117.984 119.300 -0.356 0.000 2.456 1218 C HA -0.110 4.350 4.460 -0.001 0.000 0.279 1218 C C 1.666 176.551 174.990 -0.176 0.000 1.427 1218 C CA 0.056 58.900 59.018 -0.290 0.000 1.778 1218 C CB -1.085 26.409 27.740 -0.411 0.000 1.842 1218 C HN 0.594 nan 8.230 nan 0.000 0.531 1219 W N 0.680 121.790 121.300 -0.318 0.000 3.194 1219 W HA 0.307 4.966 4.660 -0.001 0.000 0.408 1219 W C 0.501 177.037 176.519 0.028 0.000 1.072 1219 W CA -0.739 56.333 57.345 -0.455 0.000 1.953 1219 W CB -1.109 27.902 29.460 -0.748 0.000 1.091 1219 W HN 0.341 nan 8.180 nan 0.000 0.699 1220 Q N 0.327 120.263 119.800 0.226 0.000 2.315 1220 Q HA -0.129 4.210 4.340 -0.001 0.000 0.289 1220 Q C 1.031 177.215 176.000 0.307 0.000 1.044 1220 Q CA 0.364 56.288 55.803 0.202 0.000 0.920 1220 Q CB 0.821 29.610 28.738 0.086 0.000 1.214 1220 Q HN 0.329 nan 8.270 nan 0.000 0.392 1221 Y N 3.219 123.621 120.300 0.170 0.000 2.181 1221 Y HA -0.176 4.374 4.550 -0.001 0.000 0.288 1221 Y C 0.488 176.414 175.900 0.044 0.000 1.146 1221 Y CA 1.262 59.433 58.100 0.120 0.000 1.164 1221 Y CB 0.511 38.995 38.460 0.041 0.000 0.982 1221 Y HN 0.535 nan 8.280 nan 0.000 0.515 1222 N N 1.787 120.571 118.700 0.141 0.000 2.411 1222 N HA 0.047 4.786 4.740 -0.001 0.000 0.259 1222 N C -1.986 173.480 175.510 -0.072 0.000 1.103 1222 N CA -0.926 52.138 53.050 0.022 0.000 0.954 1222 N CB 1.060 39.569 38.487 0.037 0.000 1.085 1222 N HN 0.167 nan 8.380 nan 0.000 0.485 1223 P HA -0.179 nan 4.420 nan 0.000 0.216 1223 P C 0.980 177.938 177.300 -0.569 0.000 1.157 1223 P CA 1.619 64.580 63.100 -0.231 0.000 0.880 1223 P CB 0.358 31.988 31.700 -0.116 0.000 0.791 1224 K N -1.301 118.742 120.400 -0.595 0.000 2.362 1224 K HA -0.002 4.318 4.320 -0.001 0.000 0.200 1224 K C 1.886 178.300 176.600 -0.311 0.000 1.046 1224 K CA 1.028 56.948 56.287 -0.611 0.000 0.952 1224 K CB -0.331 31.961 32.500 -0.348 0.000 0.753 1224 K HN 0.245 nan 8.250 nan 0.000 0.466 1225 M N 0.312 119.796 119.600 -0.194 0.000 2.558 1225 M HA -0.007 4.473 4.480 -0.001 0.000 0.255 1225 M C 0.320 176.567 176.300 -0.087 0.000 1.113 1225 M CA 0.594 55.834 55.300 -0.102 0.000 1.097 1225 M CB 0.154 32.727 32.600 -0.045 0.000 1.426 1225 M HN -0.033 nan 8.290 nan 0.000 0.488 1226 R N 1.581 122.016 120.500 -0.108 0.000 2.582 1226 R HA 0.228 4.568 4.340 -0.001 0.000 0.271 1226 R C -2.204 174.043 176.300 -0.088 0.000 1.078 1226 R CA -1.415 54.642 56.100 -0.071 0.000 1.127 1226 R CB -0.142 30.145 30.300 -0.021 0.000 1.038 1226 R HN -0.013 nan 8.270 nan 0.000 0.500 1227 P HA 0.037 nan 4.420 nan 0.000 0.276 1227 P C -0.694 176.531 177.300 -0.126 0.000 1.244 1227 P CA -0.434 62.613 63.100 -0.088 0.000 0.801 1227 P CB 1.245 32.892 31.700 -0.088 0.000 1.006 1228 S N 0.566 116.222 115.700 -0.073 0.000 2.645 1228 S HA 0.219 4.689 4.470 -0.001 0.000 0.266 1228 S C 1.085 175.596 174.600 -0.149 0.000 1.258 1228 S CA -0.339 57.813 58.200 -0.080 0.000 0.990 1228 S CB -0.122 63.112 63.200 0.056 0.000 0.967 1228 S HN 0.233 nan 8.310 nan 0.000 0.556 1229 F N 0.202 120.157 119.950 0.008 0.000 2.216 1229 F HA 0.049 4.575 4.527 -0.001 0.000 0.300 1229 F C 2.064 177.873 175.800 0.015 0.000 1.085 1229 F CA 0.898 58.855 58.000 -0.071 0.000 1.326 1229 F CB -0.739 38.221 39.000 -0.067 0.000 1.027 1229 F HN 0.440 nan 8.300 nan 0.000 0.497 1230 L N -0.427 120.960 121.223 0.274 0.000 2.046 1230 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 1230 L C 2.306 179.299 176.870 0.205 0.000 1.077 1230 L CA 1.470 56.491 54.840 0.301 0.000 0.747 1230 L CB -0.644 41.576 42.059 0.268 0.000 0.896 1230 L HN 0.162 nan 8.230 nan 0.000 0.432 1231 E N 0.217 120.483 120.200 0.109 0.000 2.110 1231 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 1231 E C 2.276 178.882 176.600 0.011 0.000 0.988 1231 E CA 1.081 57.514 56.400 0.055 0.000 0.804 1231 E CB -0.065 29.646 29.700 0.018 0.000 0.745 1231 E HN 0.481 nan 8.360 nan 0.000 0.458 1232 I N 1.012 121.573 120.570 -0.014 0.000 2.163 1232 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 1232 I C 2.350 178.435 176.117 -0.053 0.000 1.085 1232 I CA 1.170 62.448 61.300 -0.036 0.000 1.347 1232 I CB -0.241 37.715 38.000 -0.073 0.000 1.044 1232 I HN 0.111 nan 8.210 nan 0.000 0.408 1233 I N -0.205 120.320 120.570 -0.074 0.000 2.226 1233 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 1233 I C 2.754 178.668 176.117 -0.340 0.000 1.100 1233 I CA 1.413 62.570 61.300 -0.238 0.000 1.374 1233 I CB -0.426 37.375 38.000 -0.331 0.000 1.057 1233 I HN 0.197 nan 8.210 nan 0.000 0.413 1234 S N 0.563 116.129 115.700 -0.223 0.000 2.400 1234 S HA -0.191 4.278 4.470 -0.001 0.000 0.232 1234 S C 2.169 176.734 174.600 -0.057 0.000 1.025 1234 S CA 1.870 60.014 58.200 -0.093 0.000 0.993 1234 S CB -0.338 62.921 63.200 0.097 0.000 0.808 1234 S HN 0.615 nan 8.310 nan 0.000 0.478 1235 S N 0.988 116.655 115.700 -0.055 0.000 2.489 1235 S HA 0.083 4.553 4.470 -0.001 0.000 0.228 1235 S C 1.481 176.050 174.600 -0.051 0.000 0.995 1235 S CA 0.634 58.810 58.200 -0.039 0.000 0.934 1235 S CB -0.624 62.556 63.200 -0.033 0.000 0.771 1235 S HN 0.829 nan 8.310 nan 0.000 0.522 1236 I N -1.919 118.599 120.570 -0.086 0.000 4.338 1236 I HA 0.357 4.527 4.170 -0.001 0.000 0.329 1236 I C 1.585 177.628 176.117 -0.124 0.000 1.378 1236 I CA -0.485 60.759 61.300 -0.093 0.000 1.170 1236 I CB 0.071 38.013 38.000 -0.096 0.000 1.206 1236 I HN 0.097 nan 8.210 nan 0.000 0.432 1237 K N 1.196 121.516 120.400 -0.133 0.000 2.152 1237 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 1237 K C 1.119 177.728 176.600 0.015 0.000 1.048 1237 K CA 1.488 57.727 56.287 -0.080 0.000 0.933 1237 K CB -0.319 32.168 32.500 -0.021 0.000 0.721 1237 K HN 0.295 nan 8.250 nan 0.000 0.447 1238 E N 1.353 121.561 120.200 0.013 0.000 2.347 1238 E HA -0.103 4.247 4.350 -0.001 0.000 0.196 1238 E C 0.941 177.540 176.600 -0.001 0.000 1.008 1238 E CA 0.897 57.314 56.400 0.027 0.000 0.852 1238 E CB 0.111 29.826 29.700 0.025 0.000 0.783 1238 E HN 0.606 nan 8.360 nan 0.000 0.505 1239 E N -0.295 119.885 120.200 -0.034 0.000 2.476 1239 E HA 0.102 4.452 4.350 -0.001 0.000 0.196 1239 E C 0.377 176.936 176.600 -0.068 0.000 1.029 1239 E CA -0.201 56.173 56.400 -0.044 0.000 0.896 1239 E CB 0.394 30.065 29.700 -0.048 0.000 1.012 1239 E HN 0.073 nan 8.360 nan 0.000 0.475 1240 M N 1.204 120.747 119.600 -0.095 0.000 2.291 1240 M HA 0.200 4.680 4.480 -0.001 0.000 0.324 1240 M C 0.459 176.743 176.300 -0.026 0.000 1.148 1240 M CA -0.101 55.114 55.300 -0.141 0.000 1.104 1240 M CB 0.429 32.821 32.600 -0.346 0.000 1.483 1240 M HN -0.076 nan 8.290 nan 0.000 0.467 1241 E N 1.732 121.938 120.200 0.011 0.000 2.398 1241 E HA 0.010 4.360 4.350 -0.001 0.000 0.263 1241 E C -1.565 175.089 176.600 0.090 0.000 1.046 1241 E CA -1.346 55.088 56.400 0.056 0.000 0.908 1241 E CB 0.234 29.982 29.700 0.079 0.000 0.963 1241 E HN 0.363 nan 8.360 nan 0.000 0.431 1242 P HA -0.188 nan 4.420 nan 0.000 0.216 1242 P C 1.242 178.560 177.300 0.031 0.000 1.150 1242 P CA 1.377 64.494 63.100 0.028 0.000 0.843 1242 P CB 0.084 31.790 31.700 0.009 0.000 0.787 1243 G N -1.500 107.335 108.800 0.058 0.000 2.501 1243 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.220 1243 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.220 1243 G C 1.293 176.239 174.900 0.076 0.000 1.114 1243 G CA 0.044 45.170 45.100 0.043 0.000 0.757 1243 G HN 0.192 nan 8.290 nan 0.000 0.559 1244 F N 1.483 121.436 119.950 0.005 0.000 2.171 1244 F HA -0.058 4.468 4.527 -0.000 0.000 0.300 1244 F C 2.605 178.417 175.800 0.021 0.000 1.090 1244 F CA 1.624 59.669 58.000 0.075 0.000 1.293 1244 F CB -0.094 38.969 39.000 0.106 0.000 1.013 1244 F HN 0.159 nan 8.300 nan 0.000 0.486 1245 R N 0.032 120.431 120.500 -0.168 0.000 2.193 1245 R HA -0.211 4.129 4.340 -0.001 0.000 0.229 1245 R C 1.978 178.106 176.300 -0.287 0.000 1.110 1245 R CA 1.738 57.493 56.100 -0.574 0.000 0.988 1245 R CB -0.302 29.578 30.300 -0.699 0.000 0.871 1245 R HN 0.299 nan 8.270 nan 0.000 0.458 1246 E N -0.024 120.062 120.200 -0.190 0.000 2.276 1246 E HA -0.068 4.282 4.350 -0.001 0.000 0.193 1246 E C 1.539 178.035 176.600 -0.174 0.000 0.983 1246 E CA 1.116 57.427 56.400 -0.148 0.000 0.861 1246 E CB 0.493 30.122 29.700 -0.119 0.000 0.817 1246 E HN 0.277 nan 8.360 nan 0.000 0.485 1247 V N -1.522 118.250 119.914 -0.237 0.000 3.645 1247 V HA 0.345 4.465 4.120 -0.001 0.000 0.275 1247 V C 0.848 176.798 176.094 -0.240 0.000 1.356 1247 V CA 0.179 62.282 62.300 -0.330 0.000 1.051 1247 V CB -0.295 31.110 31.823 -0.697 0.000 0.828 1247 V HN 0.183 nan 8.190 nan 0.000 0.441 1248 S N 0.060 115.596 115.700 -0.273 0.000 2.603 1248 S HA 0.367 4.837 4.470 -0.001 0.000 0.268 1248 S C 0.620 175.236 174.600 0.027 0.000 1.317 1248 S CA 0.117 58.186 58.200 -0.217 0.000 1.012 1248 S CB 1.001 63.588 63.200 -1.021 0.000 0.926 1248 S HN 0.468 nan 8.310 nan 0.000 0.539 1249 F N 1.974 121.960 119.950 0.061 0.000 2.206 1249 F HA 0.012 4.539 4.527 -0.001 0.000 0.298 1249 F C 1.892 177.766 175.800 0.123 0.000 1.090 1249 F CA 0.938 59.008 58.000 0.116 0.000 1.323 1249 F CB -0.788 38.345 39.000 0.221 0.000 1.028 1249 F HN 0.808 nan 8.300 nan 0.000 0.492 1250 Y N 0.250 120.458 120.300 -0.153 0.000 2.069 1250 Y HA -0.340 4.210 4.550 -0.001 0.000 0.278 1250 Y C 1.515 177.179 175.900 -0.394 0.000 1.175 1250 Y CA 2.377 60.303 58.100 -0.289 0.000 1.134 1250 Y CB -0.964 37.472 38.460 -0.039 0.000 0.965 1250 Y HN 0.166 nan 8.280 nan 0.000 0.498 1251 Y N 0.172 120.402 120.300 -0.116 0.000 2.470 1251 Y HA 0.153 4.703 4.550 -0.001 0.000 0.284 1251 Y C 1.209 177.003 175.900 -0.177 0.000 1.188 1251 Y CA 0.013 58.027 58.100 -0.142 0.000 1.269 1251 Y CB -0.315 38.133 38.460 -0.021 0.000 1.094 1251 Y HN 0.023 nan 8.280 nan 0.000 0.518 1252 S N -0.434 115.193 115.700 -0.122 0.000 2.669 1252 S HA 0.075 4.544 4.470 -0.001 0.000 0.270 1252 S C 1.135 175.665 174.600 -0.117 0.000 1.225 1252 S CA -0.378 57.774 58.200 -0.080 0.000 0.991 1252 S CB 1.302 64.492 63.200 -0.018 0.000 0.987 1252 S HN 0.511 nan 8.310 nan 0.000 0.552 1253 E N -0.044 120.132 120.200 -0.040 0.000 2.418 1253 E HA -0.086 4.264 4.350 -0.001 0.000 0.197 1253 E C 1.123 177.713 176.600 -0.018 0.000 1.026 1253 E CA 0.919 57.300 56.400 -0.032 0.000 0.862 1253 E CB -0.324 29.377 29.700 0.002 0.000 0.799 1253 E HN 0.803 nan 8.360 nan 0.000 0.518 1254 E N 0.327 120.540 120.200 0.022 0.000 2.482 1254 E HA -0.021 4.329 4.350 -0.001 0.000 0.196 1254 E C 0.250 176.879 176.600 0.049 0.000 1.047 1254 E CA 0.105 56.587 56.400 0.136 0.000 0.869 1254 E CB -0.026 29.902 29.700 0.380 0.000 0.836 1254 E HN 0.217 nan 8.360 nan 0.000 0.520 1255 N N 0.000 118.544 118.700 -0.260 0.000 1.763 1255 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 1255 N CA 0.000 52.805 53.050 -0.408 0.000 0.885 1255 N CB 0.000 37.910 38.487 -0.961 0.000 1.341 1255 N HN 0.000 nan 8.380 nan 0.000 0.667