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 3f5p_1_K DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXXPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.669 174.600 0.115 0.000 1.055 980 S CA 0.000 58.253 58.200 0.088 0.000 1.107 980 S CB 0.000 63.246 63.200 0.076 0.000 0.593 981 F N 2.505 122.465 119.950 0.016 0.000 2.443 981 F HA 0.652 5.179 4.527 0.000 0.000 0.353 981 F C 0.585 176.402 175.800 0.027 0.000 1.101 981 F CA 1.418 59.431 58.000 0.022 0.000 1.226 981 F CB 1.164 40.176 39.000 0.020 0.000 1.140 981 F HN 0.995 nan 8.300 nan 0.000 0.557 982 S N 3.674 119.154 115.700 -0.365 0.000 2.656 982 S HA 0.619 5.089 4.470 0.000 0.000 0.273 982 S C 0.417 174.860 174.600 -0.263 0.000 1.168 982 S CA -0.259 57.835 58.200 -0.178 0.000 0.817 982 S CB 0.892 64.033 63.200 -0.099 0.000 1.146 982 S HN 0.999 nan 8.310 nan 0.000 0.475 983 A N 1.362 124.131 122.820 -0.086 0.000 1.986 983 A HA 0.115 4.435 4.320 0.000 0.000 0.220 983 A C 2.247 179.831 177.584 -0.000 0.000 1.171 983 A CA 2.395 54.427 52.037 -0.008 0.000 0.640 983 A CB -1.575 17.349 19.000 -0.126 0.000 0.811 983 A HN 1.561 nan 8.150 nan 0.000 0.451 984 A N -0.318 122.453 122.820 -0.081 0.000 2.067 984 A HA -0.116 4.204 4.320 0.000 0.000 0.219 984 A C 1.583 179.113 177.584 -0.091 0.000 1.158 984 A CA 1.788 53.788 52.037 -0.062 0.000 0.661 984 A CB -0.542 18.427 19.000 -0.051 0.000 0.801 984 A HN 0.549 nan 8.150 nan 0.000 0.452 985 D N -1.149 119.114 120.400 -0.228 0.000 2.194 985 D HA -0.041 4.599 4.640 0.000 0.000 0.204 985 D C 1.882 178.079 176.300 -0.171 0.000 0.964 985 D CA 1.351 55.178 54.000 -0.289 0.000 0.846 985 D CB 0.128 40.520 40.800 -0.680 0.000 0.962 985 D HN 0.353 nan 8.370 nan 0.000 0.490 986 V N -1.296 118.540 119.914 -0.130 0.000 2.795 986 V HA 0.015 4.135 4.120 0.000 0.000 0.243 986 V C 0.942 176.966 176.094 -0.116 0.000 1.069 986 V CA 0.657 62.902 62.300 -0.091 0.000 1.089 986 V CB -0.468 31.298 31.823 -0.095 0.000 0.756 986 V HN 0.169 nan 8.190 nan 0.000 0.471 987 Y N 1.709 121.959 120.300 -0.084 0.000 2.471 987 Y HA 0.415 4.965 4.550 0.000 0.000 0.286 987 Y C 0.751 176.595 175.900 -0.093 0.000 1.188 987 Y CA 0.426 58.477 58.100 -0.082 0.000 1.286 987 Y CB 0.481 38.880 38.460 -0.101 0.000 1.072 987 Y HN 0.298 nan 8.280 nan 0.000 0.517 988 V N -1.595 118.347 119.914 0.047 0.000 2.444 988 V HA 0.500 4.620 4.120 0.000 0.000 0.294 988 V C -2.740 173.397 176.094 0.071 0.000 1.022 988 V CA -2.977 59.340 62.300 0.028 0.000 0.850 988 V CB 1.542 33.370 31.823 0.007 0.000 0.992 988 V HN -0.125 nan 8.190 nan 0.000 0.426 989 P HA 0.117 nan 4.420 nan 0.000 0.263 989 P C -0.360 177.018 177.300 0.130 0.000 1.247 989 P CA 0.162 63.351 63.100 0.149 0.000 0.876 989 P CB 0.228 32.080 31.700 0.254 0.000 0.928 990 D N 3.836 124.269 120.400 0.054 0.000 2.659 990 D HA -0.122 4.519 4.640 0.000 0.000 0.264 990 D C 1.122 177.407 176.300 -0.024 0.000 1.329 990 D CA 1.253 55.265 54.000 0.020 0.000 0.963 990 D CB 0.231 41.033 40.800 0.004 0.000 1.136 990 D HN 0.589 nan 8.370 nan 0.000 0.554 991 E N 0.591 120.753 120.200 -0.064 0.000 1.081 991 E HA -0.088 4.262 4.350 0.000 0.000 0.201 991 E C 0.402 176.729 176.600 -0.456 0.000 0.823 991 E CA -0.158 56.096 56.400 -0.244 0.000 0.808 991 E CB -0.674 28.864 29.700 -0.271 0.000 4.889 991 E HN 0.455 nan 8.360 nan 0.000 0.550 992 W N 1.845 123.121 121.300 -0.039 0.000 2.871 992 W HA 0.318 4.978 4.660 0.000 0.000 0.340 992 W C 0.718 177.215 176.519 -0.035 0.000 1.058 992 W CA -0.332 56.988 57.345 -0.042 0.000 1.633 992 W CB 0.777 30.202 29.460 -0.058 0.000 1.067 992 W HN -0.028 nan 8.180 nan 0.000 0.554 993 E N 1.435 121.716 120.200 0.135 0.000 2.418 993 E HA 0.234 4.584 4.350 0.000 0.000 0.261 993 E C -0.527 176.105 176.600 0.053 0.000 1.070 993 E CA 0.141 56.589 56.400 0.080 0.000 0.931 993 E CB 1.138 30.863 29.700 0.040 0.000 0.954 993 E HN -0.142 nan 8.360 nan 0.000 0.439 994 V N 1.851 121.792 119.914 0.045 0.000 2.969 994 V HA 0.699 4.819 4.120 0.000 0.000 0.304 994 V C -1.203 174.903 176.094 0.021 0.000 1.192 994 V CA -0.222 62.095 62.300 0.029 0.000 0.962 994 V CB 1.659 33.504 31.823 0.038 0.000 1.045 994 V HN 0.851 nan 8.190 nan 0.000 0.428 995 A N 5.712 128.539 122.820 0.012 0.000 2.450 995 A HA 0.503 4.823 4.320 0.000 0.000 0.255 995 A C 1.169 178.757 177.584 0.007 0.000 1.096 995 A CA 0.127 52.168 52.037 0.008 0.000 0.778 995 A CB 0.188 19.191 19.000 0.004 0.000 1.031 995 A HN 1.043 nan 8.150 nan 0.000 0.494 996 R N 1.410 121.912 120.500 0.004 0.000 2.119 996 R HA -0.210 4.130 4.340 0.000 0.000 0.246 996 R C 1.510 177.807 176.300 -0.004 0.000 1.146 996 R CA 1.800 57.899 56.100 -0.001 0.000 0.962 996 R CB -0.405 29.891 30.300 -0.007 0.000 0.863 996 R HN 0.875 nan 8.270 nan 0.000 0.442 997 E N 1.624 121.823 120.200 -0.003 0.000 2.136 997 E HA -0.234 4.116 4.350 0.000 0.000 0.202 997 E C 1.326 177.925 176.600 -0.002 0.000 1.019 997 E CA 1.487 57.884 56.400 -0.004 0.000 0.819 997 E CB -0.355 29.344 29.700 -0.002 0.000 0.739 997 E HN 0.487 nan 8.360 nan 0.000 0.458 998 K N 0.308 120.709 120.400 0.001 0.000 2.505 998 K HA 0.121 4.441 4.320 0.000 0.000 0.192 998 K C 0.284 176.887 176.600 0.006 0.000 1.025 998 K CA 0.179 56.468 56.287 0.004 0.000 1.086 998 K CB 0.454 32.958 32.500 0.006 0.000 0.840 998 K HN 0.079 nan 8.250 nan 0.000 0.514 999 I N 1.882 122.452 120.570 0.002 0.000 2.418 999 I HA 0.092 4.262 4.170 0.000 0.000 0.287 999 I C 0.057 176.167 176.117 -0.010 0.000 1.008 999 I CA -0.469 60.832 61.300 0.001 0.000 1.104 999 I CB 1.575 39.577 38.000 0.002 0.000 1.264 999 I HN -0.075 nan 8.210 nan 0.000 0.438 1000 T N 5.112 119.662 114.554 -0.008 0.000 2.840 1000 T HA 0.687 5.037 4.350 0.000 0.000 0.287 1000 T C -0.453 174.238 174.700 -0.015 0.000 0.991 1000 T CA -0.819 61.272 62.100 -0.015 0.000 0.964 1000 T CB 1.134 69.998 68.868 -0.007 0.000 0.954 1000 T HN 0.409 nan 8.240 nan 0.000 0.438 1001 M N 3.644 123.218 119.600 -0.044 0.000 2.238 1001 M HA 0.437 4.917 4.480 0.000 0.000 0.350 1001 M C 0.995 177.291 176.300 -0.007 0.000 1.138 1001 M CA -0.966 54.308 55.300 -0.044 0.000 1.040 1001 M CB 1.732 34.219 32.600 -0.188 0.000 1.639 1001 M HN 0.875 nan 8.290 nan 0.000 0.451 1002 S N 4.101 119.837 115.700 0.060 0.000 2.970 1002 S HA 0.366 4.836 4.470 0.000 0.000 0.165 1002 S C 0.424 175.111 174.600 0.144 0.000 0.813 1002 S CA -0.393 57.852 58.200 0.074 0.000 1.195 1002 S CB 0.106 63.339 63.200 0.056 0.000 0.633 1002 S HN 0.781 nan 8.310 nan 0.000 0.543 1003 R N 2.117 122.701 120.500 0.139 0.000 2.536 1003 R HA 0.521 4.861 4.340 0.000 0.000 0.279 1003 R C -0.265 176.118 176.300 0.138 0.000 1.001 1003 R CA -0.781 55.402 56.100 0.138 0.000 1.027 1003 R CB 0.175 30.510 30.300 0.058 0.000 1.096 1003 R HN 0.566 nan 8.270 nan 0.000 0.502 1004 E N 2.576 122.760 120.200 -0.027 0.000 2.418 1004 E HA -0.033 4.317 4.350 0.000 0.000 0.261 1004 E C -0.024 176.449 176.600 -0.212 0.000 1.070 1004 E CA -0.118 56.022 56.400 -0.434 0.000 0.931 1004 E CB 0.675 29.979 29.700 -0.661 0.000 0.954 1004 E HN 0.688 nan 8.360 nan 0.000 0.439 1005 L N -0.044 121.045 121.223 -0.223 0.000 2.642 1005 L HA 0.302 4.642 4.340 0.000 0.000 0.233 1005 L C 0.968 177.769 176.870 -0.116 0.000 1.077 1005 L CA 0.607 55.378 54.840 -0.114 0.000 0.879 1005 L CB 0.478 42.497 42.059 -0.066 0.000 1.151 1005 L HN 0.848 nan 8.230 nan 0.000 0.495 1006 G N -0.465 108.236 108.800 -0.165 0.000 2.352 1006 G HA2 0.068 4.028 3.960 0.000 0.000 0.302 1006 G HA3 0.068 4.028 3.960 0.000 0.000 0.302 1006 G C -1.829 172.988 174.900 -0.137 0.000 1.370 1006 G CA -0.778 44.245 45.100 -0.129 0.000 0.918 1006 G HN -0.183 nan 8.290 nan 0.000 0.610 1007 Q N -0.485 119.252 119.800 -0.107 0.000 2.352 1007 Q HA 0.586 4.926 4.340 0.000 0.000 0.260 1007 Q C 0.641 176.588 176.000 -0.088 0.000 0.976 1007 Q CA 1.143 56.887 55.803 -0.098 0.000 0.881 1007 Q CB 1.150 29.839 28.738 -0.083 0.000 1.235 1007 Q HN 1.154 nan 8.270 nan 0.000 0.419 1008 G N 0.360 109.107 108.800 -0.088 0.000 2.685 1008 G HA2 0.392 4.352 3.960 0.000 0.000 0.298 1008 G HA3 0.392 4.352 3.960 0.000 0.000 0.298 1008 G C 0.386 175.202 174.900 -0.140 0.000 1.277 1008 G CA -0.173 44.877 45.100 -0.084 0.000 0.986 1008 G HN 0.735 nan 8.290 nan 0.000 0.487 1009 S N -0.289 115.295 115.700 -0.193 0.000 2.369 1009 S HA -0.185 4.285 4.470 0.000 0.000 0.225 1009 S C 1.606 175.880 174.600 -0.544 0.000 1.043 1009 S CA 1.684 59.628 58.200 -0.427 0.000 1.074 1009 S CB -0.458 62.385 63.200 -0.595 0.000 0.962 1009 S HN 0.407 nan 8.310 nan 0.000 0.433 1010 F N 1.998 121.844 119.950 -0.174 0.000 2.695 1010 F HA 0.543 5.070 4.527 0.000 0.000 0.303 1010 F C 1.397 177.026 175.800 -0.284 0.000 1.091 1010 F CA 0.079 57.913 58.000 -0.278 0.000 1.300 1010 F CB 0.753 39.435 39.000 -0.530 0.000 1.071 1010 F HN 0.553 nan 8.300 nan 0.000 0.578 1011 G N -0.311 108.432 108.800 -0.095 0.000 2.342 1011 G HA2 0.377 4.337 3.960 0.000 0.000 0.297 1011 G HA3 0.377 4.337 3.960 0.000 0.000 0.297 1011 G C -1.789 173.081 174.900 -0.050 0.000 1.313 1011 G CA -1.028 44.026 45.100 -0.075 0.000 0.830 1011 G HN -0.120 nan 8.290 nan 0.000 0.506 1012 M N 0.358 119.953 119.600 -0.008 0.000 2.255 1012 M HA 0.659 5.140 4.480 0.000 0.000 0.336 1012 M C -0.414 175.876 176.300 -0.017 0.000 1.135 1012 M CA -0.222 55.048 55.300 -0.050 0.000 1.145 1012 M CB 1.514 34.075 32.600 -0.066 0.000 1.473 1012 M HN 0.359 nan 8.290 nan 0.000 0.462 1013 V N 4.499 124.337 119.914 -0.128 0.000 2.513 1013 V HA 0.487 4.607 4.120 0.000 0.000 0.299 1013 V C -1.112 174.872 176.094 -0.183 0.000 1.035 1013 V CA -0.605 61.670 62.300 -0.041 0.000 0.889 1013 V CB 1.296 33.106 31.823 -0.022 0.000 0.988 1013 V HN 0.807 nan 8.190 nan 0.000 0.440 1014 Y N 1.089 121.393 120.300 0.006 0.000 2.598 1014 Y HA 0.536 5.086 4.550 0.000 0.000 0.340 1014 Y C 0.253 176.157 175.900 0.007 0.000 1.038 1014 Y CA -0.811 57.292 58.100 0.004 0.000 1.100 1014 Y CB 1.794 40.257 38.460 0.005 0.000 1.281 1014 Y HN 0.652 nan 8.280 nan 0.000 0.488 1015 E N 0.485 120.787 120.200 0.170 0.000 2.242 1015 E HA 0.669 5.019 4.350 0.000 0.000 0.275 1015 E C -0.555 176.107 176.600 0.102 0.000 1.002 1015 E CA -0.453 56.006 56.400 0.099 0.000 0.841 1015 E CB 1.263 30.998 29.700 0.058 0.000 1.109 1015 E HN 0.843 nan 8.360 nan 0.000 0.394 1016 G N 1.014 109.854 108.800 0.067 0.000 2.606 1016 G HA2 0.431 4.391 3.960 0.000 0.000 0.300 1016 G HA3 0.431 4.391 3.960 0.000 0.000 0.300 1016 G C -1.659 173.261 174.900 0.033 0.000 1.360 1016 G CA -0.543 44.585 45.100 0.048 0.000 0.783 1016 G HN 0.456 nan 8.290 nan 0.000 0.484 1017 V N 0.274 120.202 119.914 0.023 0.000 2.540 1017 V HA 0.734 4.854 4.120 0.000 0.000 0.302 1017 V C 0.081 176.186 176.094 0.018 0.000 1.035 1017 V CA -0.379 61.932 62.300 0.019 0.000 0.873 1017 V CB 1.454 33.286 31.823 0.015 0.000 0.992 1017 V HN 1.362 nan 8.190 nan 0.000 0.428 1018 A N 4.865 127.697 122.820 0.020 0.000 2.267 1018 A HA 0.556 4.876 4.320 0.000 0.000 0.315 1018 A C -0.151 177.443 177.584 0.017 0.000 1.297 1018 A CA -0.626 51.423 52.037 0.021 0.000 0.865 1018 A CB 0.414 19.431 19.000 0.029 0.000 1.165 1018 A HN 0.750 nan 8.150 nan 0.000 0.513 1019 K N 1.771 122.178 120.400 0.013 0.000 2.378 1019 K HA 0.334 4.654 4.320 0.000 0.000 0.288 1019 K C 1.066 177.672 176.600 0.009 0.000 1.057 1019 K CA 1.105 57.398 56.287 0.009 0.000 0.971 1019 K CB 0.214 32.718 32.500 0.006 0.000 0.975 1019 K HN 1.474 nan 8.250 nan 0.000 0.475 1020 G N 2.475 111.280 108.800 0.008 0.000 2.295 1020 G HA2 -0.234 3.726 3.960 0.000 0.000 0.287 1020 G HA3 -0.234 3.726 3.960 0.000 0.000 0.287 1020 G C 0.379 175.282 174.900 0.005 0.000 1.055 1020 G CA 0.481 45.584 45.100 0.004 0.000 0.922 1020 G HN 0.599 nan 8.290 nan 0.000 0.503 1021 V N -4.154 115.767 119.914 0.013 0.000 3.661 1021 V HA 0.603 4.723 4.120 0.000 0.000 0.271 1021 V C 0.940 177.046 176.094 0.021 0.000 1.315 1021 V CA 0.423 62.735 62.300 0.019 0.000 1.072 1021 V CB 0.835 32.680 31.823 0.036 0.000 0.830 1021 V HN 0.415 nan 8.190 nan 0.000 0.443 1022 V N 1.766 121.690 119.914 0.018 0.000 2.459 1022 V HA 0.497 4.617 4.120 0.000 0.000 0.295 1022 V C -0.010 176.089 176.094 0.008 0.000 1.029 1022 V CA -0.969 61.341 62.300 0.017 0.000 0.874 1022 V CB 1.790 33.627 31.823 0.023 0.000 0.985 1022 V HN 0.383 nan 8.190 nan 0.000 0.438 1023 K N 3.800 124.202 120.400 0.004 0.000 2.504 1023 K HA 0.061 4.381 4.320 0.000 0.000 0.278 1023 K C 0.364 176.965 176.600 0.002 0.000 1.025 1023 K CA 0.839 57.125 56.287 -0.001 0.000 1.093 1023 K CB -0.358 32.140 32.500 -0.003 0.000 0.873 1023 K HN 0.758 nan 8.250 nan 0.000 0.483 1024 D N 1.214 121.614 120.400 -0.001 0.000 3.076 1024 D HA -0.190 4.450 4.640 0.000 0.000 0.218 1024 D C -0.894 175.409 176.300 0.004 0.000 1.156 1024 D CA 1.166 55.167 54.000 0.001 0.000 0.921 1024 D CB -1.141 39.660 40.800 0.001 0.000 1.113 1024 D HN 0.692 nan 8.370 nan 0.000 0.418 1025 E N -0.637 119.567 120.200 0.006 0.000 2.186 1025 E HA 0.237 4.587 4.350 0.000 0.000 0.255 1025 E C -1.887 174.717 176.600 0.007 0.000 0.881 1025 E CA -1.861 54.544 56.400 0.008 0.000 0.752 1025 E CB 1.713 31.420 29.700 0.012 0.000 1.176 1025 E HN -0.069 nan 8.360 nan 0.000 0.421 1026 P HA -0.158 nan 4.420 nan 0.000 0.218 1026 P C -0.363 176.941 177.300 0.007 0.000 1.148 1026 P CA 1.370 64.473 63.100 0.005 0.000 0.822 1026 P CB 0.421 32.124 31.700 0.005 0.000 0.784 1027 E N -2.223 117.983 120.200 0.009 0.000 2.393 1027 E HA 0.515 4.865 4.350 0.000 0.000 0.273 1027 E C -0.903 175.705 176.600 0.014 0.000 0.918 1027 E CA -0.621 55.786 56.400 0.011 0.000 0.773 1027 E CB 2.300 32.006 29.700 0.010 0.000 1.275 1027 E HN -0.275 nan 8.360 nan 0.000 0.451 1028 T N 1.158 115.722 114.554 0.016 0.000 2.993 1028 T HA 0.330 4.680 4.350 0.000 0.000 0.312 1028 T C -0.610 174.102 174.700 0.019 0.000 1.115 1028 T CA -0.835 61.276 62.100 0.018 0.000 1.027 1028 T CB 1.338 70.219 68.868 0.022 0.000 1.116 1028 T HN 0.243 nan 8.240 nan 0.000 0.464 1029 R N 1.656 122.167 120.500 0.017 0.000 2.389 1029 R HA 0.603 4.943 4.340 0.000 0.000 0.295 1029 R C 0.051 176.363 176.300 0.020 0.000 1.075 1029 R CA -0.461 55.649 56.100 0.017 0.000 1.005 1029 R CB 0.637 30.943 30.300 0.011 0.000 0.987 1029 R HN 0.537 nan 8.270 nan 0.000 0.452 1030 V N -0.974 118.957 119.914 0.027 0.000 3.130 1030 V HA 0.877 4.997 4.120 0.000 0.000 0.310 1030 V C -0.707 175.413 176.094 0.042 0.000 1.158 1030 V CA -1.246 61.074 62.300 0.034 0.000 1.029 1030 V CB 2.028 33.875 31.823 0.040 0.000 1.057 1030 V HN 0.788 nan 8.190 nan 0.000 0.436 1031 A N 2.720 125.567 122.820 0.046 0.000 2.312 1031 A HA 0.923 5.243 4.320 0.000 0.000 0.326 1031 A C -0.491 177.141 177.584 0.081 0.000 1.172 1031 A CA -0.710 51.364 52.037 0.060 0.000 0.821 1031 A CB 0.492 19.519 19.000 0.046 0.000 1.166 1031 A HN 0.977 nan 8.150 nan 0.000 0.493 1032 I N 1.747 122.385 120.570 0.114 0.000 2.512 1032 I HA 0.333 4.503 4.170 0.000 0.000 0.287 1032 I C -0.271 175.952 176.117 0.176 0.000 1.069 1032 I CA -0.527 60.849 61.300 0.127 0.000 1.056 1032 I CB 2.017 40.076 38.000 0.098 0.000 1.229 1032 I HN 0.711 nan 8.210 nan 0.000 0.429 1033 K N 4.621 125.118 120.400 0.161 0.000 2.159 1033 K HA 0.544 4.864 4.320 0.000 0.000 0.266 1033 K C -0.272 176.408 176.600 0.132 0.000 0.975 1033 K CA -0.307 56.076 56.287 0.160 0.000 0.865 1033 K CB 1.451 34.052 32.500 0.168 0.000 1.087 1033 K HN 0.728 nan 8.250 nan 0.000 0.446 1034 T N 0.006 114.630 114.554 0.116 0.000 2.794 1034 T HA 0.421 4.771 4.350 0.000 0.000 0.280 1034 T C -0.482 174.201 174.700 -0.028 0.000 0.987 1034 T CA -0.838 61.294 62.100 0.053 0.000 0.993 1034 T CB 1.267 70.168 68.868 0.056 0.000 0.939 1034 T HN 0.172 nan 8.240 nan 0.000 0.449 1035 V N 5.894 125.764 119.914 -0.074 0.000 2.334 1035 V HA 0.359 4.479 4.120 0.000 0.000 0.281 1035 V C 0.890 176.949 176.094 -0.058 0.000 1.016 1035 V CA -1.096 61.120 62.300 -0.139 0.000 0.832 1035 V CB 0.503 32.158 31.823 -0.279 0.000 0.999 1035 V HN 1.062 nan 8.190 nan 0.000 0.439 1036 N N 3.568 122.244 118.700 -0.041 0.000 2.327 1036 N HA 0.132 4.872 4.740 0.000 0.000 0.257 1036 N C 0.902 176.400 175.510 -0.020 0.000 1.281 1036 N CA -0.594 52.444 53.050 -0.020 0.000 0.942 1036 N CB 1.259 39.741 38.487 -0.008 0.000 1.199 1036 N HN 0.620 nan 8.380 nan 0.000 0.532 1037 E N 0.023 120.217 120.200 -0.011 0.000 2.150 1037 E HA -0.173 4.177 4.350 0.000 0.000 0.193 1037 E C 1.650 178.246 176.600 -0.006 0.000 0.985 1037 E CA 0.969 57.365 56.400 -0.007 0.000 0.814 1037 E CB -0.324 29.375 29.700 -0.001 0.000 0.752 1037 E HN 0.712 nan 8.360 nan 0.000 0.466 1038 A N 0.958 123.774 122.820 -0.006 0.000 2.172 1038 A HA 0.177 4.497 4.320 0.000 0.000 0.216 1038 A C 1.293 178.874 177.584 -0.006 0.000 1.154 1038 A CA 0.784 52.819 52.037 -0.004 0.000 0.701 1038 A CB -0.398 18.601 19.000 -0.002 0.000 0.789 1038 A HN 0.288 nan 8.150 nan 0.000 0.465 1039 A N 1.078 123.891 122.820 -0.013 0.000 2.440 1039 A HA 0.492 4.812 4.320 0.000 0.000 0.251 1039 A C 0.926 178.502 177.584 -0.013 0.000 1.089 1039 A CA 0.192 52.220 52.037 -0.014 0.000 0.779 1039 A CB -0.161 18.819 19.000 -0.034 0.000 1.022 1039 A HN 0.953 nan 8.150 nan 0.000 0.492 1040 S N 2.949 118.645 115.700 -0.006 0.000 2.566 1040 S HA 0.076 4.546 4.470 0.000 0.000 0.280 1040 S C 1.165 175.750 174.600 -0.025 0.000 1.343 1040 S CA 0.351 58.546 58.200 -0.008 0.000 1.036 1040 S CB 0.164 63.365 63.200 0.000 0.000 0.866 1040 S HN 0.904 nan 8.310 nan 0.000 0.526 1041 M N 1.233 120.819 119.600 -0.023 0.000 2.108 1041 M HA -0.164 4.316 4.480 0.000 0.000 0.261 1041 M C 2.363 178.616 176.300 -0.077 0.000 1.066 1041 M CA 1.872 57.145 55.300 -0.044 0.000 1.107 1041 M CB -0.257 32.332 32.600 -0.018 0.000 1.356 1041 M HN 0.889 nan 8.290 nan 0.000 0.406 1042 R N 0.337 120.808 120.500 -0.049 0.000 2.094 1042 R HA -0.190 4.150 4.340 0.000 0.000 0.239 1042 R C 2.066 178.324 176.300 -0.069 0.000 1.137 1042 R CA 2.250 58.318 56.100 -0.054 0.000 0.943 1042 R CB -0.441 29.850 30.300 -0.016 0.000 0.850 1042 R HN 0.484 nan 8.270 nan 0.000 0.433 1043 E N 0.152 120.331 120.200 -0.036 0.000 2.085 1043 E HA -0.265 4.086 4.350 0.000 0.000 0.194 1043 E C 2.103 178.610 176.600 -0.156 0.000 0.994 1043 E CA 1.394 57.780 56.400 -0.023 0.000 0.801 1043 E CB -0.150 29.575 29.700 0.041 0.000 0.743 1043 E HN 0.357 nan 8.360 nan 0.000 0.453 1044 R N 0.555 120.975 120.500 -0.133 0.000 2.092 1044 R HA -0.072 4.268 4.340 0.000 0.000 0.231 1044 R C 2.366 178.539 176.300 -0.212 0.000 1.119 1044 R CA 0.877 56.899 56.100 -0.129 0.000 0.970 1044 R CB -0.080 30.165 30.300 -0.091 0.000 0.864 1044 R HN 0.126 nan 8.270 nan 0.000 0.440 1045 I N 0.397 120.786 120.570 -0.301 0.000 2.333 1045 I HA -0.178 3.992 4.170 0.000 0.000 0.246 1045 I C 2.282 178.176 176.117 -0.371 0.000 1.106 1045 I CA 0.993 61.991 61.300 -0.503 0.000 1.411 1045 I CB -0.349 37.298 38.000 -0.588 0.000 1.082 1045 I HN 0.292 nan 8.210 nan 0.000 0.420 1046 E N 0.825 120.871 120.200 -0.257 0.000 2.033 1046 E HA -0.290 4.060 4.350 0.000 0.000 0.199 1046 E C 2.135 178.555 176.600 -0.300 0.000 1.011 1046 E CA 1.902 58.185 56.400 -0.194 0.000 0.815 1046 E CB -0.316 29.336 29.700 -0.079 0.000 0.755 1046 E HN 0.385 nan 8.360 nan 0.000 0.451 1047 F N 1.364 120.850 119.950 -0.775 0.000 2.120 1047 F HA -0.241 4.286 4.527 0.000 0.000 0.300 1047 F C 2.028 177.557 175.800 -0.452 0.000 1.095 1047 F CA 1.050 58.455 58.000 -0.992 0.000 1.249 1047 F CB -0.220 37.964 39.000 -1.360 0.000 0.995 1047 F HN 0.006 nan 8.300 nan 0.000 0.480 1048 L N 0.548 121.430 121.223 -0.569 0.000 2.156 1048 L HA -0.128 4.212 4.340 0.000 0.000 0.208 1048 L C 1.992 178.634 176.870 -0.380 0.000 1.095 1048 L CA 1.611 56.129 54.840 -0.536 0.000 0.770 1048 L CB -1.564 40.292 42.059 -0.337 0.000 0.914 1048 L HN 0.247 nan 8.230 nan 0.000 0.439 1049 N N -1.119 117.410 118.700 -0.285 0.000 2.250 1049 N HA -0.169 4.571 4.740 0.000 0.000 0.181 1049 N C 1.680 177.073 175.510 -0.196 0.000 1.017 1049 N CA 0.654 53.599 53.050 -0.175 0.000 0.866 1049 N CB 0.139 38.569 38.487 -0.096 0.000 0.985 1049 N HN 0.376 nan 8.380 nan 0.000 0.429 1050 E N 1.143 121.223 120.200 -0.200 0.000 2.077 1050 E HA -0.188 4.162 4.350 0.000 0.000 0.193 1050 E C 1.904 178.372 176.600 -0.220 0.000 0.989 1050 E CA 1.119 57.436 56.400 -0.139 0.000 0.800 1050 E CB -0.010 29.680 29.700 -0.016 0.000 0.746 1050 E HN 0.360 nan 8.360 nan 0.000 0.452 1051 A N 0.340 122.950 122.820 -0.349 0.000 1.902 1051 A HA -0.139 4.182 4.320 0.000 0.000 0.217 1051 A C 2.365 179.679 177.584 -0.450 0.000 1.181 1051 A CA 1.612 53.406 52.037 -0.404 0.000 0.623 1051 A CB -0.631 18.047 19.000 -0.537 0.000 0.818 1051 A HN 0.272 nan 8.150 nan 0.000 0.443 1052 S N -0.528 114.929 115.700 -0.405 0.000 2.440 1052 S HA -0.131 4.339 4.470 0.000 0.000 0.238 1052 S C 1.815 176.161 174.600 -0.424 0.000 1.010 1052 S CA 1.402 59.367 58.200 -0.391 0.000 0.972 1052 S CB -0.427 62.628 63.200 -0.242 0.000 0.774 1052 S HN 0.403 nan 8.310 nan 0.000 0.501 1053 V N 1.810 121.464 119.914 -0.433 0.000 2.323 1053 V HA -0.163 3.957 4.120 0.000 0.000 0.244 1053 V C 2.347 177.825 176.094 -1.027 0.000 1.041 1053 V CA 1.271 63.206 62.300 -0.607 0.000 1.025 1053 V CB -0.660 30.871 31.823 -0.487 0.000 0.656 1053 V HN 0.458 nan 8.190 nan 0.000 0.451 1054 M N 0.755 119.875 119.600 -0.799 0.000 2.226 1054 M HA -0.330 4.150 4.480 0.000 0.000 0.257 1054 M C 2.665 178.513 176.300 -0.753 0.000 1.070 1054 M CA 3.185 58.036 55.300 -0.749 0.000 1.087 1054 M CB -1.457 30.901 32.600 -0.404 0.000 1.278 1054 M HN 0.498 nan 8.290 nan 0.000 0.426 1055 K N 0.472 120.439 120.400 -0.721 0.000 2.081 1055 K HA -0.319 4.001 4.320 0.000 0.000 0.222 1055 K C 1.670 178.121 176.600 -0.248 0.000 1.055 1055 K CA 2.808 58.673 56.287 -0.703 0.000 0.954 1055 K CB -1.882 30.101 32.500 -0.862 0.000 0.732 1055 K HN 0.671 nan 8.250 nan 0.000 0.458 1056 E N -0.958 119.015 120.200 -0.378 0.000 2.072 1056 E HA -0.147 4.204 4.350 0.000 0.000 0.218 1056 E C 0.178 176.745 176.600 -0.055 0.000 1.051 1056 E CA 1.445 57.691 56.400 -0.256 0.000 0.880 1056 E CB -0.341 29.072 29.700 -0.477 0.000 0.783 1056 E HN 0.588 nan 8.360 nan 0.000 0.473 1057 F N 0.982 120.914 119.950 -0.030 0.000 2.602 1057 F HA 0.060 4.587 4.527 0.000 0.000 0.385 1057 F C 0.745 176.580 175.800 0.058 0.000 1.063 1057 F CA 0.266 58.341 58.000 0.124 0.000 1.233 1057 F CB -0.230 38.750 39.000 -0.033 0.000 1.067 1057 F HN 0.079 nan 8.300 nan 0.000 0.564 1058 N N 3.188 122.040 118.700 0.254 0.000 2.791 1058 N HA 0.299 5.039 4.740 0.000 0.000 0.265 1058 N C -1.730 173.647 175.510 -0.221 0.000 1.580 1058 N CA -0.190 52.892 53.050 0.053 0.000 0.809 1058 N CB 0.562 39.129 38.487 0.133 0.000 1.178 1058 N HN 0.674 nan 8.380 nan 0.000 0.499 1059 C N 1.584 120.627 119.300 -0.429 0.000 2.561 1059 C HA 0.362 4.822 4.460 0.000 0.000 0.319 1059 C C 1.590 176.431 174.990 -0.247 0.000 1.198 1059 C CA -0.394 58.296 59.018 -0.545 0.000 1.665 1059 C CB 0.945 28.024 27.740 -1.103 0.000 2.258 1059 C HN 0.843 nan 8.230 nan 0.000 0.493 1060 H N 0.793 119.672 119.070 -0.319 0.000 2.521 1060 H HA 0.039 4.595 4.556 0.000 0.000 0.286 1060 H C 0.959 176.028 175.328 -0.430 0.000 1.034 1060 H CA 2.062 57.886 56.048 -0.373 0.000 1.278 1060 H CB -0.068 29.403 29.762 -0.484 0.000 1.386 1060 H HN 0.861 nan 8.280 nan 0.000 0.567 1061 H N -1.467 117.553 119.070 -0.082 0.000 2.581 1061 H HA 0.342 4.898 4.556 0.000 0.000 0.275 1061 H C -0.712 174.582 175.328 -0.057 0.000 1.126 1061 H CA -0.199 55.808 56.048 -0.069 0.000 1.097 1061 H CB 0.961 30.749 29.762 0.043 0.000 1.626 1061 H HN 0.013 nan 8.280 nan 0.000 0.565 1062 V N 1.741 121.650 119.914 -0.009 0.000 2.487 1062 V HA 0.144 4.264 4.120 0.000 0.000 0.298 1062 V C 0.169 176.301 176.094 0.063 0.000 1.028 1062 V CA -1.146 61.199 62.300 0.075 0.000 0.860 1062 V CB 2.193 34.063 31.823 0.078 0.000 0.991 1062 V HN 0.009 nan 8.190 nan 0.000 0.427 1063 V N 5.143 125.120 119.914 0.105 0.000 2.557 1063 V HA 0.098 4.218 4.120 0.000 0.000 0.301 1063 V C 0.600 176.757 176.094 0.105 0.000 1.026 1063 V CA 0.177 62.521 62.300 0.073 0.000 1.137 1063 V CB 0.117 31.981 31.823 0.068 0.000 0.917 1063 V HN 0.966 nan 8.190 nan 0.000 0.484 1064 R N 4.949 125.480 120.500 0.052 0.000 2.460 1064 R HA 0.635 4.975 4.340 0.000 0.000 0.303 1064 R C -0.752 175.570 176.300 0.037 0.000 0.968 1064 R CA -0.821 55.308 56.100 0.049 0.000 0.889 1064 R CB 1.265 31.592 30.300 0.044 0.000 1.123 1064 R HN 0.704 nan 8.270 nan 0.000 0.455 1065 L N 5.129 126.349 121.223 -0.006 0.000 2.367 1065 L HA 0.209 4.549 4.340 0.000 0.000 0.275 1065 L C -0.053 176.863 176.870 0.076 0.000 1.129 1065 L CA -0.094 54.719 54.840 -0.044 0.000 0.839 1065 L CB 0.748 42.659 42.059 -0.246 0.000 1.133 1065 L HN 0.859 nan 8.230 nan 0.000 0.453 1066 L N 4.895 126.180 121.223 0.103 0.000 2.664 1066 L HA 0.502 4.842 4.340 0.000 0.000 0.233 1066 L C 0.700 177.704 176.870 0.222 0.000 1.113 1066 L CA 0.306 55.245 54.840 0.165 0.000 0.896 1066 L CB 0.089 42.207 42.059 0.098 0.000 1.163 1066 L HN 0.871 nan 8.230 nan 0.000 0.497 1067 G N -0.042 108.882 108.800 0.205 0.000 2.361 1067 G HA2 0.245 4.205 3.960 0.000 0.000 0.305 1067 G HA3 0.245 4.205 3.960 0.000 0.000 0.305 1067 G C -2.030 172.935 174.900 0.109 0.000 1.367 1067 G CA -0.089 45.158 45.100 0.245 0.000 0.951 1067 G HN -0.160 nan 8.290 nan 0.000 0.615 1068 V N -0.575 119.405 119.914 0.110 0.000 2.686 1068 V HA 0.782 4.902 4.120 0.000 0.000 0.306 1068 V C -0.559 175.568 176.094 0.056 0.000 1.065 1068 V CA -0.773 61.556 62.300 0.049 0.000 0.894 1068 V CB 1.738 33.546 31.823 -0.025 0.000 1.004 1068 V HN 1.253 nan 8.190 nan 0.000 0.424 1069 V N 6.561 126.502 119.914 0.045 0.000 2.408 1069 V HA 0.412 4.532 4.120 0.000 0.000 0.267 1069 V C 1.196 177.304 176.094 0.023 0.000 1.047 1069 V CA 0.764 63.083 62.300 0.032 0.000 0.937 1069 V CB 0.774 32.613 31.823 0.026 0.000 0.999 1069 V HN 1.166 nan 8.190 nan 0.000 0.472 1070 S N 2.849 118.556 115.700 0.012 0.000 2.554 1070 S HA 0.152 4.622 4.470 0.000 0.000 0.227 1070 S C 0.552 175.140 174.600 -0.021 0.000 1.050 1070 S CA -0.403 57.793 58.200 -0.008 0.000 0.927 1070 S CB 0.313 63.504 63.200 -0.015 0.000 0.859 1070 S HN 0.623 nan 8.310 nan 0.000 0.494 1071 Q N 2.229 122.024 119.800 -0.009 0.000 2.423 1071 Q HA 0.639 4.979 4.340 0.000 0.000 0.235 1071 Q C 0.296 176.294 176.000 -0.003 0.000 1.100 1071 Q CA 0.331 56.130 55.803 -0.008 0.000 0.908 1071 Q CB 0.466 29.205 28.738 0.002 0.000 1.312 1071 Q HN 0.662 nan 8.270 nan 0.000 0.497 1072 G N 1.305 110.101 108.800 -0.006 0.000 2.368 1072 G HA2 -0.059 3.901 3.960 0.000 0.000 0.302 1072 G HA3 -0.059 3.901 3.960 0.000 0.000 0.302 1072 G C -0.102 174.795 174.900 -0.005 0.000 1.329 1072 G CA -0.588 44.510 45.100 -0.003 0.000 0.935 1072 G HN 0.232 nan 8.290 nan 0.000 0.590 1073 Q N -0.585 119.213 119.800 -0.005 0.000 2.008 1073 Q HA 0.145 4.485 4.340 0.000 0.000 0.196 1073 Q C -1.421 174.575 176.000 -0.007 0.000 0.973 1073 Q CA 1.504 57.304 55.803 -0.005 0.000 0.826 1073 Q CB -1.127 27.608 28.738 -0.005 0.000 0.894 1073 Q HN 0.510 nan 8.270 nan 0.000 0.439 1074 P HA 0.215 nan 4.420 nan 0.000 0.297 1074 P C -1.004 176.298 177.300 0.004 0.000 1.342 1074 P CA -0.097 62.997 63.100 -0.009 0.000 0.801 1074 P CB 1.022 32.709 31.700 -0.021 0.000 0.920 1075 T N 4.552 119.117 114.554 0.018 0.000 2.867 1075 T HA 0.176 4.526 4.350 0.000 0.000 0.297 1075 T C 0.473 175.222 174.700 0.082 0.000 0.989 1075 T CA 0.216 62.347 62.100 0.052 0.000 1.159 1075 T CB -0.132 68.789 68.868 0.089 0.000 0.928 1075 T HN 0.194 nan 8.240 nan 0.000 0.538 1076 L N 3.744 125.011 121.223 0.073 0.000 2.322 1076 L HA 0.617 4.957 4.340 0.000 0.000 0.279 1076 L C -0.311 176.628 176.870 0.115 0.000 1.036 1076 L CA -1.065 53.827 54.840 0.087 0.000 0.807 1076 L CB 1.512 43.599 42.059 0.046 0.000 1.226 1076 L HN 0.312 nan 8.230 nan 0.000 0.433 1077 V N 4.012 124.021 119.914 0.158 0.000 2.444 1077 V HA 0.376 4.496 4.120 0.000 0.000 0.294 1077 V C -0.196 175.955 176.094 0.096 0.000 1.022 1077 V CA -0.454 61.915 62.300 0.115 0.000 0.850 1077 V CB 1.900 33.814 31.823 0.152 0.000 0.992 1077 V HN 0.439 nan 8.190 nan 0.000 0.426 1078 I N 6.290 126.899 120.570 0.064 0.000 2.304 1078 I HA 0.431 4.601 4.170 0.000 0.000 0.291 1078 I C 0.233 176.382 176.117 0.053 0.000 1.018 1078 I CA 0.301 61.639 61.300 0.063 0.000 1.260 1078 I CB 0.974 39.012 38.000 0.062 0.000 1.390 1078 I HN 0.405 nan 8.210 nan 0.000 0.475 1079 M N 4.530 124.162 119.600 0.055 0.000 2.705 1079 M HA 0.356 4.836 4.480 0.000 0.000 0.311 1079 M C 0.156 176.480 176.300 0.041 0.000 1.214 1079 M CA -0.776 54.551 55.300 0.045 0.000 0.920 1079 M CB 1.691 34.321 32.600 0.050 0.000 1.687 1079 M HN 0.638 nan 8.290 nan 0.000 0.481 1080 E N 1.457 121.677 120.200 0.034 0.000 2.360 1080 E HA 0.226 4.576 4.350 0.000 0.000 0.269 1080 E C -1.033 175.574 176.600 0.012 0.000 1.022 1080 E CA -0.338 56.075 56.400 0.022 0.000 0.887 1080 E CB 0.878 30.586 29.700 0.013 0.000 0.990 1080 E HN 0.603 nan 8.360 nan 0.000 0.426 1081 L N 4.322 125.549 121.223 0.007 0.000 2.410 1081 L HA 0.089 4.429 4.340 0.000 0.000 0.273 1081 L C -0.265 176.591 176.870 -0.023 0.000 1.144 1081 L CA -0.025 54.813 54.840 -0.002 0.000 0.863 1081 L CB 0.560 42.618 42.059 -0.000 0.000 1.140 1081 L HN 0.767 nan 8.230 nan 0.000 0.463 1082 M N 4.691 124.272 119.600 -0.032 0.000 2.158 1082 M HA 0.119 4.599 4.480 0.000 0.000 0.326 1082 M C 1.209 177.465 176.300 -0.073 0.000 1.014 1082 M CA -0.335 54.929 55.300 -0.059 0.000 0.961 1082 M CB 0.591 33.158 32.600 -0.054 0.000 1.327 1082 M HN 0.632 nan 8.290 nan 0.000 0.393 1083 T N -0.854 113.648 114.554 -0.088 0.000 2.897 1083 T HA -0.087 4.263 4.350 0.000 0.000 0.271 1083 T C 1.378 176.018 174.700 -0.101 0.000 1.084 1083 T CA 1.126 63.175 62.100 -0.085 0.000 1.123 1083 T CB 0.000 68.815 68.868 -0.088 0.000 0.865 1083 T HN 0.599 nan 8.240 nan 0.000 0.496 1084 R N 1.009 121.418 120.500 -0.151 0.000 2.334 1084 R HA 0.433 4.773 4.340 0.000 0.000 0.216 1084 R C 1.597 177.852 176.300 -0.074 0.000 0.905 1084 R CA 0.210 56.222 56.100 -0.147 0.000 1.064 1084 R CB -0.003 30.105 30.300 -0.320 0.000 1.046 1084 R HN 0.579 nan 8.270 nan 0.000 0.508 1085 G N 2.397 111.158 108.800 -0.066 0.000 2.593 1085 G HA2 -0.284 3.676 3.960 0.000 0.000 0.237 1085 G HA3 -0.284 3.676 3.960 0.000 0.000 0.237 1085 G C -0.813 174.074 174.900 -0.022 0.000 1.312 1085 G CA -0.144 44.939 45.100 -0.029 0.000 0.896 1085 G HN 0.460 nan 8.290 nan 0.000 0.574 1086 D N 0.547 120.951 120.400 0.007 0.000 2.350 1086 D HA 0.282 4.922 4.640 0.000 0.000 0.249 1086 D C 1.756 178.098 176.300 0.070 0.000 1.119 1086 D CA -0.153 53.856 54.000 0.016 0.000 0.886 1086 D CB 1.722 42.525 40.800 0.006 0.000 1.195 1086 D HN 0.657 nan 8.370 nan 0.000 0.437 1087 L N 2.761 124.023 121.223 0.065 0.000 2.064 1087 L HA -0.270 4.070 4.340 0.000 0.000 0.216 1087 L C 2.323 179.305 176.870 0.187 0.000 1.077 1087 L CA 1.978 56.904 54.840 0.143 0.000 0.766 1087 L CB -0.678 41.443 42.059 0.104 0.000 0.890 1087 L HN 0.547 nan 8.230 nan 0.000 0.435 1088 K N -0.742 119.731 120.400 0.122 0.000 2.032 1088 K HA -0.183 4.137 4.320 0.000 0.000 0.209 1088 K C 2.096 178.763 176.600 0.111 0.000 1.048 1088 K CA 1.965 58.324 56.287 0.120 0.000 0.927 1088 K CB -0.207 32.351 32.500 0.096 0.000 0.712 1088 K HN 0.666 nan 8.250 nan 0.000 0.441 1089 S N -0.525 115.237 115.700 0.102 0.000 2.436 1089 S HA -0.134 4.336 4.470 0.000 0.000 0.228 1089 S C 1.963 176.625 174.600 0.104 0.000 1.014 1089 S CA 0.507 58.757 58.200 0.083 0.000 0.950 1089 S CB -0.630 62.608 63.200 0.063 0.000 0.784 1089 S HN 0.452 nan 8.310 nan 0.000 0.504 1090 Y N 2.757 123.074 120.300 0.029 0.000 2.145 1090 Y HA -0.019 4.531 4.550 0.000 0.000 0.286 1090 Y C 1.951 177.879 175.900 0.048 0.000 1.145 1090 Y CA 1.240 59.364 58.100 0.040 0.000 1.148 1090 Y CB -0.517 37.970 38.460 0.046 0.000 0.981 1090 Y HN 0.168 nan 8.280 nan 0.000 0.507 1091 L N 0.010 121.232 121.223 -0.000 0.000 1.990 1091 L HA -0.291 4.049 4.340 0.000 0.000 0.213 1091 L C 2.606 179.406 176.870 -0.117 0.000 1.072 1091 L CA 1.963 56.750 54.840 -0.089 0.000 0.755 1091 L CB -0.596 41.490 42.059 0.044 0.000 0.889 1091 L HN 0.206 nan 8.230 nan 0.000 0.432 1092 R N -0.316 120.157 120.500 -0.044 0.000 2.152 1092 R HA -0.127 4.213 4.340 0.000 0.000 0.232 1092 R C 2.477 178.737 176.300 -0.067 0.000 1.117 1092 R CA 1.422 57.500 56.100 -0.037 0.000 0.981 1092 R CB -0.331 29.972 30.300 0.005 0.000 0.870 1092 R HN 0.448 nan 8.270 nan 0.000 0.451 1093 S N 0.643 116.283 115.700 -0.099 0.000 2.481 1093 S HA 0.001 4.471 4.470 0.000 0.000 0.231 1093 S C 1.785 176.303 174.600 -0.137 0.000 0.996 1093 S CA 0.550 58.692 58.200 -0.097 0.000 0.942 1093 S CB -0.071 63.086 63.200 -0.071 0.000 0.768 1093 S HN 0.262 nan 8.310 nan 0.000 0.520 1094 L N 0.604 121.703 121.223 -0.207 0.000 2.599 1094 L HA 0.202 4.542 4.340 0.000 0.000 0.230 1094 L C 1.101 177.904 176.870 -0.112 0.000 1.141 1094 L CA 0.101 54.831 54.840 -0.183 0.000 0.877 1094 L CB -0.288 41.626 42.059 -0.242 0.000 1.009 1094 L HN 0.197 nan 8.230 nan 0.000 0.447 1095 R N 0.672 121.118 120.500 -0.090 0.000 2.539 1095 R HA 0.298 4.638 4.340 0.000 0.000 0.275 1095 R C -1.524 174.746 176.300 -0.050 0.000 1.077 1095 R CA -1.692 54.369 56.100 -0.065 0.000 1.097 1095 R CB -0.302 29.966 30.300 -0.053 0.000 1.018 1095 R HN -0.087 nan 8.270 nan 0.000 0.483 1108 S N -0.342 115.331 115.700 -0.045 0.000 2.652 1108 S HA 0.339 4.809 4.470 0.000 0.000 0.267 1108 S C 1.038 175.615 174.600 -0.039 0.000 1.201 1108 S CA -0.865 57.309 58.200 -0.042 0.000 0.996 1108 S CB 0.431 63.607 63.200 -0.040 0.000 1.054 1108 S HN 0.564 nan 8.310 nan 0.000 0.561 1109 L N 0.272 121.473 121.223 -0.037 0.000 2.109 1109 L HA -0.061 4.279 4.340 0.000 0.000 0.207 1109 L C 2.664 179.514 176.870 -0.034 0.000 1.086 1109 L CA 1.446 56.265 54.840 -0.035 0.000 0.760 1109 L CB -0.674 41.366 42.059 -0.032 0.000 0.910 1109 L HN 0.903 nan 8.230 nan 0.000 0.437 1110 S N -0.330 115.350 115.700 -0.033 0.000 2.348 1110 S HA -0.164 4.306 4.470 0.000 0.000 0.221 1110 S C 1.922 176.504 174.600 -0.030 0.000 1.033 1110 S CA 1.096 59.276 58.200 -0.033 0.000 1.010 1110 S CB 0.018 63.200 63.200 -0.031 0.000 0.891 1110 S HN 0.300 nan 8.310 nan 0.000 0.442 1111 K N 1.018 121.402 120.400 -0.028 0.000 2.113 1111 K HA -0.085 4.235 4.320 0.000 0.000 0.208 1111 K C 2.014 178.615 176.600 0.001 0.000 1.047 1111 K CA 1.480 57.757 56.287 -0.016 0.000 0.928 1111 K CB -0.660 31.828 32.500 -0.020 0.000 0.716 1111 K HN 0.495 nan 8.250 nan 0.000 0.446 1112 M N -0.470 119.124 119.600 -0.011 0.000 2.123 1112 M HA -0.091 4.389 4.480 0.000 0.000 0.263 1112 M C 2.276 178.566 176.300 -0.016 0.000 1.069 1112 M CA 1.101 56.395 55.300 -0.010 0.000 1.133 1112 M CB -0.375 32.209 32.600 -0.027 0.000 1.356 1112 M HN -0.065 nan 8.290 nan 0.000 0.415 1113 I N 0.582 121.134 120.570 -0.031 0.000 2.248 1113 I HA -0.314 3.856 4.170 0.000 0.000 0.248 1113 I C 2.615 178.697 176.117 -0.059 0.000 1.107 1113 I CA 1.571 62.844 61.300 -0.044 0.000 1.373 1113 I CB -0.288 37.676 38.000 -0.059 0.000 1.055 1113 I HN 0.306 nan 8.210 nan 0.000 0.418 1114 Q N 0.026 119.797 119.800 -0.048 0.000 2.050 1114 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 1114 Q C 2.171 178.160 176.000 -0.018 0.000 0.980 1114 Q CA 2.005 57.779 55.803 -0.048 0.000 0.840 1114 Q CB -0.217 28.517 28.738 -0.006 0.000 0.898 1114 Q HN 0.476 nan 8.270 nan 0.000 0.424 1115 M N -1.084 118.526 119.600 0.017 0.000 2.200 1115 M HA -0.059 4.421 4.480 0.000 0.000 0.265 1115 M C 2.135 178.467 176.300 0.053 0.000 1.066 1115 M CA 1.287 56.612 55.300 0.042 0.000 1.127 1115 M CB -0.331 32.306 32.600 0.060 0.000 1.379 1115 M HN 0.274 nan 8.290 nan 0.000 0.420 1116 A N 0.707 123.557 122.820 0.049 0.000 1.908 1116 A HA -0.073 4.247 4.320 0.000 0.000 0.218 1116 A C 2.356 180.065 177.584 0.208 0.000 1.181 1116 A CA 2.023 54.147 52.037 0.145 0.000 0.627 1116 A CB -1.476 17.584 19.000 0.100 0.000 0.818 1116 A HN 0.547 nan 8.150 nan 0.000 0.445 1117 G N -1.005 107.809 108.800 0.024 0.000 2.430 1117 G HA2 -0.078 3.882 3.960 0.000 0.000 0.216 1117 G HA3 -0.078 3.882 3.960 0.000 0.000 0.216 1117 G C 1.430 176.307 174.900 -0.039 0.000 1.146 1117 G CA 0.872 45.928 45.100 -0.074 0.000 0.793 1117 G HN 0.624 nan 8.290 nan 0.000 0.537 1118 E N -0.011 120.144 120.200 -0.075 0.000 2.046 1118 E HA 0.004 4.354 4.350 0.000 0.000 0.190 1118 E C 2.448 178.979 176.600 -0.115 0.000 0.982 1118 E CA 0.417 56.667 56.400 -0.250 0.000 0.800 1118 E CB -0.093 29.511 29.700 -0.161 0.000 0.756 1118 E HN 0.433 nan 8.360 nan 0.000 0.449 1119 I N 1.114 121.711 120.570 0.044 0.000 2.163 1119 I HA -0.306 3.864 4.170 0.000 0.000 0.243 1119 I C 2.522 178.665 176.117 0.043 0.000 1.085 1119 I CA 1.091 62.457 61.300 0.111 0.000 1.347 1119 I CB -0.324 37.829 38.000 0.254 0.000 1.044 1119 I HN 0.108 nan 8.210 nan 0.000 0.408 1120 A N 0.260 123.126 122.820 0.076 0.000 1.908 1120 A HA -0.328 3.992 4.320 0.000 0.000 0.218 1120 A C 1.988 179.494 177.584 -0.130 0.000 1.181 1120 A CA 2.466 54.398 52.037 -0.174 0.000 0.627 1120 A CB -0.865 18.068 19.000 -0.112 0.000 0.818 1120 A HN 0.494 nan 8.150 nan 0.000 0.445 1121 D N -1.067 119.353 120.400 0.034 0.000 2.117 1121 D HA -0.035 4.605 4.640 0.000 0.000 0.197 1121 D C 1.974 178.363 176.300 0.148 0.000 0.987 1121 D CA 1.575 55.687 54.000 0.187 0.000 0.829 1121 D CB -0.327 40.650 40.800 0.294 0.000 0.961 1121 D HN 0.331 nan 8.370 nan 0.000 0.460 1122 G N -0.110 108.733 108.800 0.071 0.000 2.408 1122 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 1122 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 1122 G C 1.504 176.340 174.900 -0.105 0.000 1.150 1122 G CA 0.495 45.618 45.100 0.038 0.000 0.776 1122 G HN 0.162 nan 8.290 nan 0.000 0.542 1123 M N 1.208 120.616 119.600 -0.320 0.000 2.175 1123 M HA 0.086 4.567 4.480 0.000 0.000 0.264 1123 M C 2.980 178.938 176.300 -0.570 0.000 1.063 1123 M CA 1.160 56.067 55.300 -0.656 0.000 1.119 1123 M CB -1.175 30.500 32.600 -1.541 0.000 1.377 1123 M HN 0.316 nan 8.290 nan 0.000 0.415 1124 A N -0.884 121.719 122.820 -0.362 0.000 1.902 1124 A HA -0.223 4.097 4.320 0.000 0.000 0.217 1124 A C 2.153 179.609 177.584 -0.213 0.000 1.181 1124 A CA 1.388 53.423 52.037 -0.004 0.000 0.623 1124 A CB -1.150 18.038 19.000 0.313 0.000 0.818 1124 A HN 0.496 nan 8.150 nan 0.000 0.443 1125 Y N 0.339 120.259 120.300 -0.633 0.000 2.128 1125 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 1125 Y C 2.121 177.694 175.900 -0.546 0.000 1.154 1125 Y CA 1.767 59.245 58.100 -1.036 0.000 1.149 1125 Y CB -0.233 37.778 38.460 -0.748 0.000 0.976 1125 Y HN 0.192 nan 8.280 nan 0.000 0.505 1126 L N 0.545 121.583 121.223 -0.308 0.000 1.990 1126 L HA -0.350 3.990 4.340 0.000 0.000 0.213 1126 L C 1.950 178.719 176.870 -0.168 0.000 1.072 1126 L CA 2.560 57.212 54.840 -0.314 0.000 0.755 1126 L CB -1.114 40.843 42.059 -0.170 0.000 0.889 1126 L HN 0.474 nan 8.230 nan 0.000 0.432 1127 N N -0.773 117.866 118.700 -0.102 0.000 2.244 1127 N HA -0.121 4.619 4.740 0.000 0.000 0.183 1127 N C 1.752 177.230 175.510 -0.054 0.000 1.016 1127 N CA 0.928 53.976 53.050 -0.004 0.000 0.866 1127 N CB -0.012 38.544 38.487 0.116 0.000 0.980 1127 N HN 0.337 nan 8.380 nan 0.000 0.430 1128 A N 0.970 123.713 122.820 -0.128 0.000 2.067 1128 A HA -0.051 4.269 4.320 0.000 0.000 0.219 1128 A C 1.450 178.952 177.584 -0.136 0.000 1.158 1128 A CA 1.000 52.984 52.037 -0.089 0.000 0.661 1128 A CB -0.112 18.852 19.000 -0.060 0.000 0.801 1128 A HN 0.318 nan 8.150 nan 0.000 0.452 1129 N N -0.118 118.460 118.700 -0.204 0.000 2.251 1129 N HA 0.035 4.775 4.740 0.000 0.000 0.217 1129 N C -0.660 174.786 175.510 -0.106 0.000 1.124 1129 N CA -0.084 52.905 53.050 -0.102 0.000 0.843 1129 N CB 0.399 38.853 38.487 -0.056 0.000 1.024 1129 N HN 0.068 nan 8.380 nan 0.000 0.501 1130 K N 0.425 120.740 120.400 -0.142 0.000 3.162 1130 K HA -0.155 4.165 4.320 0.000 0.000 0.268 1130 K C -1.160 175.166 176.600 -0.457 0.000 1.062 1130 K CA 0.778 56.920 56.287 -0.242 0.000 0.769 1130 K CB -2.103 30.237 32.500 -0.267 0.000 1.274 1130 K HN 0.186 nan 8.250 nan 0.000 0.478 1131 F N -0.832 119.095 119.950 -0.038 0.000 2.520 1131 F HA 0.430 4.957 4.527 0.000 0.000 0.322 1131 F C 0.678 176.488 175.800 0.017 0.000 1.103 1131 F CA -1.039 56.958 58.000 -0.006 0.000 0.926 1131 F CB 1.706 40.699 39.000 -0.012 0.000 1.154 1131 F HN -0.222 nan 8.300 nan 0.000 0.453 1132 V N 3.732 123.789 119.914 0.240 0.000 2.394 1132 V HA 0.131 4.251 4.120 0.000 0.000 0.282 1132 V C 1.001 177.235 176.094 0.233 0.000 1.031 1132 V CA -0.444 61.984 62.300 0.215 0.000 0.881 1132 V CB 1.163 33.092 31.823 0.176 0.000 0.982 1132 V HN 0.842 nan 8.190 nan 0.000 0.451 1133 H N 4.704 123.873 119.070 0.164 0.000 2.299 1133 H HA -0.031 4.525 4.556 0.000 0.000 0.302 1133 H C 1.714 177.080 175.328 0.064 0.000 1.078 1133 H CA 2.189 58.317 56.048 0.133 0.000 1.323 1133 H CB 0.389 30.218 29.762 0.111 0.000 1.381 1133 H HN 0.745 nan 8.280 nan 0.000 0.498 1134 R N -1.335 119.328 120.500 0.271 0.000 3.789 1134 R HA -0.191 4.149 4.340 0.000 0.000 0.414 1134 R C 0.262 176.671 176.300 0.182 0.000 0.593 1134 R CA 1.615 57.776 56.100 0.103 0.000 1.562 1134 R CB -1.375 28.747 30.300 -0.297 0.000 2.091 1134 R HN 0.327 nan 8.270 nan 0.000 0.382 1135 D N 0.239 120.838 120.400 0.332 0.000 2.599 1135 D HA 0.138 4.778 4.640 0.000 0.000 0.249 1135 D C -0.694 175.642 176.300 0.060 0.000 1.313 1135 D CA -0.378 53.738 54.000 0.193 0.000 0.815 1135 D CB 0.357 41.239 40.800 0.137 0.000 1.077 1135 D HN 0.034 nan 8.370 nan 0.000 0.492 1136 L N 1.673 122.877 121.223 -0.032 0.000 2.534 1136 L HA 0.481 4.821 4.340 0.000 0.000 0.271 1136 L C -0.405 176.413 176.870 -0.086 0.000 1.178 1136 L CA 0.292 54.977 54.840 -0.258 0.000 0.907 1136 L CB 0.165 42.163 42.059 -0.101 0.000 1.164 1136 L HN 0.121 nan 8.230 nan 0.000 0.482 1137 A N 3.992 126.707 122.820 -0.174 0.000 2.608 1137 A HA 0.705 5.025 4.320 0.000 0.000 0.292 1137 A C 0.563 178.117 177.584 -0.049 0.000 1.066 1137 A CA -0.180 51.751 52.037 -0.175 0.000 0.676 1137 A CB 0.503 19.036 19.000 -0.779 0.000 1.277 1137 A HN 1.056 nan 8.150 nan 0.000 0.413 1138 A N 0.829 123.709 122.820 0.100 0.000 1.948 1138 A HA -0.196 4.124 4.320 0.000 0.000 0.220 1138 A C 2.006 179.604 177.584 0.024 0.000 1.177 1138 A CA 2.256 54.351 52.037 0.097 0.000 0.636 1138 A CB -0.644 18.465 19.000 0.182 0.000 0.815 1138 A HN 1.179 nan 8.150 nan 0.000 0.449 1139 R N -0.721 119.759 120.500 -0.034 0.000 2.200 1139 R HA -0.110 4.231 4.340 0.000 0.000 0.234 1139 R C 0.817 177.069 176.300 -0.080 0.000 1.127 1139 R CA 1.795 57.858 56.100 -0.063 0.000 0.989 1139 R CB -0.424 29.796 30.300 -0.133 0.000 0.869 1139 R HN 0.440 nan 8.270 nan 0.000 0.459 1140 N N -0.028 118.609 118.700 -0.105 0.000 2.325 1140 N HA 0.066 4.806 4.740 0.000 0.000 0.182 1140 N C -0.357 175.097 175.510 -0.094 0.000 1.088 1140 N CA 0.210 53.196 53.050 -0.107 0.000 0.879 1140 N CB 0.433 38.850 38.487 -0.117 0.000 0.983 1140 N HN 0.165 nan 8.380 nan 0.000 0.471 1141 C N 2.324 121.587 119.300 -0.062 0.000 2.388 1141 C HA 0.483 4.943 4.460 0.000 0.000 0.362 1141 C C 0.646 175.618 174.990 -0.030 0.000 1.266 1141 C CA -0.940 58.053 59.018 -0.042 0.000 2.028 1141 C CB 0.070 27.803 27.740 -0.011 0.000 2.440 1141 C HN 0.191 nan 8.230 nan 0.000 0.547 1142 M N 2.391 121.969 119.600 -0.038 0.000 2.444 1142 M HA 0.546 5.026 4.480 0.000 0.000 0.319 1142 M C -0.420 175.836 176.300 -0.074 0.000 1.183 1142 M CA -0.490 54.781 55.300 -0.048 0.000 1.032 1142 M CB 1.164 33.737 32.600 -0.046 0.000 1.569 1142 M HN 0.367 nan 8.290 nan 0.000 0.468 1143 V N 1.205 121.043 119.914 -0.127 0.000 2.540 1143 V HA 0.688 4.808 4.120 0.000 0.000 0.302 1143 V C 0.267 176.229 176.094 -0.220 0.000 1.035 1143 V CA -1.004 61.169 62.300 -0.211 0.000 0.873 1143 V CB 1.402 32.970 31.823 -0.425 0.000 0.992 1143 V HN 1.038 nan 8.190 nan 0.000 0.428 1144 A N 2.666 125.373 122.820 -0.188 0.000 2.249 1144 A HA 0.554 4.874 4.320 0.000 0.000 0.281 1144 A C 1.266 178.689 177.584 -0.267 0.000 1.127 1144 A CA -0.010 51.925 52.037 -0.168 0.000 0.833 1144 A CB 0.267 19.210 19.000 -0.096 0.000 1.140 1144 A HN 0.862 nan 8.150 nan 0.000 0.502 1145 E N 0.380 120.463 120.200 -0.196 0.000 2.070 1145 E HA -0.221 4.129 4.350 0.000 0.000 0.197 1145 E C 1.076 177.509 176.600 -0.278 0.000 1.004 1145 E CA 2.214 58.479 56.400 -0.225 0.000 0.805 1145 E CB -0.211 29.428 29.700 -0.102 0.000 0.744 1145 E HN 0.726 nan 8.360 nan 0.000 0.451 1146 D N -1.535 118.807 120.400 -0.096 0.000 2.319 1146 D HA -0.083 4.557 4.640 0.000 0.000 0.230 1146 D C 0.072 176.540 176.300 0.281 0.000 1.094 1146 D CA -0.063 53.999 54.000 0.104 0.000 0.856 1146 D CB -0.526 40.357 40.800 0.138 0.000 0.915 1146 D HN 0.308 nan 8.370 nan 0.000 0.517 1147 F N -1.443 118.483 119.950 -0.039 0.000 2.544 1147 F HA -0.231 4.296 4.527 0.000 0.000 0.389 1147 F C 0.363 176.129 175.800 -0.057 0.000 0.588 1147 F CA 0.706 58.653 58.000 -0.088 0.000 1.461 1147 F CB -2.456 36.523 39.000 -0.033 0.000 1.995 1147 F HN -0.124 nan 8.300 nan 0.000 0.282 1148 T N 2.396 117.021 114.554 0.119 0.000 2.867 1148 T HA 0.425 4.775 4.350 0.000 0.000 0.297 1148 T C 0.557 175.287 174.700 0.049 0.000 0.989 1148 T CA -0.169 62.005 62.100 0.123 0.000 1.159 1148 T CB 1.164 70.121 68.868 0.149 0.000 0.928 1148 T HN 0.069 nan 8.240 nan 0.000 0.538 1149 V N 4.681 124.636 119.914 0.068 0.000 2.644 1149 V HA 0.453 4.573 4.120 0.000 0.000 0.295 1149 V C 0.324 176.457 176.094 0.065 0.000 1.053 1149 V CA -0.530 61.790 62.300 0.033 0.000 0.987 1149 V CB 1.177 33.022 31.823 0.036 0.000 1.006 1149 V HN 0.771 nan 8.190 nan 0.000 0.472 1150 K N 2.898 123.316 120.400 0.031 0.000 2.469 1150 K HA 0.566 4.886 4.320 0.000 0.000 0.254 1150 K C -1.451 175.161 176.600 0.020 0.000 0.939 1150 K CA -1.021 55.293 56.287 0.045 0.000 0.812 1150 K CB 2.492 34.996 32.500 0.006 0.000 1.301 1150 K HN 0.313 nan 8.250 nan 0.000 0.433 1151 I N 1.291 121.884 120.570 0.037 0.000 2.634 1151 I HA 0.099 4.269 4.170 0.000 0.000 0.284 1151 I C 1.228 177.325 176.117 -0.034 0.000 1.124 1151 I CA 0.808 62.105 61.300 -0.005 0.000 1.417 1151 I CB 1.040 39.072 38.000 0.055 0.000 1.396 1151 I HN 0.981 nan 8.210 nan 0.000 0.571 1152 G N 3.397 112.070 108.800 -0.212 0.000 2.535 1152 G HA2 0.048 4.008 3.960 0.000 0.000 0.191 1152 G HA3 0.048 4.008 3.960 0.000 0.000 0.191 1152 G C -0.353 174.307 174.900 -0.400 0.000 1.242 1152 G CA 0.054 45.031 45.100 -0.204 0.000 0.797 1152 G HN 0.500 nan 8.290 nan 0.000 0.863 1153 D N -0.351 119.701 120.400 -0.580 0.000 2.492 1153 D HA 0.497 5.137 4.640 0.000 0.000 0.248 1153 D C -0.713 175.197 176.300 -0.651 0.000 1.101 1153 D CA -0.949 52.788 54.000 -0.437 0.000 0.840 1153 D CB 1.233 41.925 40.800 -0.181 0.000 1.209 1153 D HN 0.035 nan 8.370 nan 0.000 0.524 1154 F N 1.399 121.290 119.950 -0.099 0.000 2.698 1154 F HA 0.309 4.836 4.527 0.000 0.000 0.304 1154 F C 2.130 177.847 175.800 -0.140 0.000 1.108 1154 F CA -0.649 57.228 58.000 -0.204 0.000 1.263 1154 F CB 1.174 40.100 39.000 -0.123 0.000 1.013 1154 F HN 0.529 nan 8.300 nan 0.000 0.532 1155 G N 0.199 109.019 108.800 0.033 0.000 2.479 1155 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 1155 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 1155 G C 1.420 176.322 174.900 0.003 0.000 1.115 1155 G CA 0.820 45.947 45.100 0.045 0.000 0.757 1155 G HN 0.250 nan 8.290 nan 0.000 0.560 1156 M N 0.800 120.369 119.600 -0.051 0.000 2.337 1156 M HA 0.233 4.713 4.480 0.000 0.000 0.256 1156 M C 1.380 177.632 176.300 -0.080 0.000 1.075 1156 M CA 0.035 55.291 55.300 -0.073 0.000 1.024 1156 M CB 0.569 33.116 32.600 -0.087 0.000 1.429 1156 M HN 0.122 nan 8.290 nan 0.000 0.497 1157 T N 0.245 114.764 114.554 -0.059 0.000 2.828 1157 T HA 0.563 4.913 4.350 0.000 0.000 0.290 1157 T C 0.132 174.892 174.700 0.101 0.000 1.019 1157 T CA -0.561 61.543 62.100 0.007 0.000 1.031 1157 T CB 1.070 69.952 68.868 0.022 0.000 1.001 1157 T HN 0.182 nan 8.240 nan 0.000 0.531 1158 R N 1.136 121.755 120.500 0.198 0.000 2.774 1158 R HA 0.417 4.757 4.340 0.000 0.000 0.272 1158 R C -1.406 175.062 176.300 0.280 0.000 1.000 1158 R CA -0.807 55.418 56.100 0.208 0.000 0.906 1158 R CB 1.600 31.952 30.300 0.087 0.000 1.227 1158 R HN 0.829 nan 8.270 nan 0.000 0.468 1159 D N 1.956 122.433 120.400 0.128 0.000 2.256 1159 D HA 0.443 5.083 4.640 0.000 0.000 0.250 1159 D C 0.110 176.305 176.300 -0.174 0.000 1.093 1159 D CA -0.298 53.570 54.000 -0.221 0.000 0.882 1159 D CB 0.727 41.419 40.800 -0.181 0.000 1.185 1159 D HN 0.465 nan 8.370 nan 0.000 0.437 1163 T N -0.336 114.205 114.554 -0.022 0.000 12.550 1163 T HA -0.218 4.132 4.350 0.000 0.000 0.392 1163 T C 0.379 175.068 174.700 -0.018 0.000 1.636 1163 T CA 0.240 62.331 62.100 -0.014 0.000 2.687 1163 T CB -1.595 67.268 68.868 -0.008 0.000 2.506 1163 T HN 0.661 nan 8.240 nan 0.000 0.474 1168 K N 2.107 122.628 120.400 0.201 0.000 2.322 1168 K HA 0.335 4.655 4.320 0.000 0.000 0.283 1168 K C 0.683 177.341 176.600 0.097 0.000 1.042 1168 K CA 0.725 57.111 56.287 0.165 0.000 0.958 1168 K CB 1.240 33.887 32.500 0.246 0.000 0.984 1168 K HN 0.633 nan 8.250 nan 0.000 0.473 1169 G N 2.647 111.489 108.800 0.070 0.000 2.508 1169 G HA2 0.073 4.033 3.960 0.000 0.000 0.212 1169 G HA3 0.073 4.033 3.960 0.000 0.000 0.212 1169 G C 0.650 175.576 174.900 0.043 0.000 1.206 1169 G CA 0.461 45.590 45.100 0.048 0.000 0.822 1169 G HN 0.729 nan 8.290 nan 0.000 0.550 1170 G N -0.339 108.487 108.800 0.043 0.000 2.829 1170 G HA2 0.411 4.371 3.960 0.000 0.000 0.173 1170 G HA3 0.411 4.371 3.960 0.000 0.000 0.173 1170 G C -0.261 174.663 174.900 0.041 0.000 1.476 1170 G CA -0.492 44.629 45.100 0.036 0.000 1.072 1170 G HN 0.144 nan 8.290 nan 0.000 0.577 1171 K N 0.487 120.908 120.400 0.035 0.000 2.270 1171 K HA 0.410 4.730 4.320 0.000 0.000 0.276 1171 K C 0.122 176.749 176.600 0.044 0.000 1.023 1171 K CA 0.068 56.377 56.287 0.037 0.000 0.955 1171 K CB 0.938 33.455 32.500 0.028 0.000 0.975 1171 K HN 0.478 nan 8.250 nan 0.000 0.471 1172 G N 1.856 110.689 108.800 0.055 0.000 2.498 1172 G HA2 0.521 4.481 3.960 0.000 0.000 0.312 1172 G HA3 0.521 4.481 3.960 0.000 0.000 0.312 1172 G C 0.117 175.048 174.900 0.051 0.000 1.230 1172 G CA -0.603 44.532 45.100 0.058 0.000 0.968 1172 G HN 0.543 nan 8.290 nan 0.000 0.481 1173 L N 0.774 122.019 121.223 0.037 0.000 2.906 1173 L HA 0.318 4.658 4.340 0.000 0.000 0.255 1173 L C 0.594 177.487 176.870 0.038 0.000 1.166 1173 L CA -0.160 54.699 54.840 0.032 0.000 0.977 1173 L CB 0.065 42.133 42.059 0.013 0.000 1.313 1173 L HN 0.222 nan 8.230 nan 0.000 0.549 1174 L N 1.891 123.146 121.223 0.052 0.000 2.514 1174 L HA 0.072 4.412 4.340 0.000 0.000 0.280 1174 L C -1.721 175.216 176.870 0.112 0.000 1.223 1174 L CA -1.489 53.392 54.840 0.069 0.000 0.864 1174 L CB -0.035 42.086 42.059 0.102 0.000 1.118 1174 L HN -0.125 nan 8.230 nan 0.000 0.494 1175 P HA -0.049 nan 4.420 nan 0.000 0.263 1175 P C 0.770 178.244 177.300 0.290 0.000 1.195 1175 P CA -0.216 63.019 63.100 0.224 0.000 0.762 1175 P CB 0.643 32.511 31.700 0.281 0.000 0.799 1176 V N 2.715 122.752 119.914 0.204 0.000 2.626 1176 V HA -0.205 3.915 4.120 0.000 0.000 0.252 1176 V C 1.813 177.978 176.094 0.117 0.000 1.067 1176 V CA 1.086 63.463 62.300 0.129 0.000 1.081 1176 V CB -1.099 30.743 31.823 0.032 0.000 0.686 1176 V HN 0.405 nan 8.190 nan 0.000 0.468 1177 R N -0.622 119.975 120.500 0.162 0.000 2.152 1177 R HA -0.082 4.258 4.340 0.000 0.000 0.232 1177 R C 1.901 178.212 176.300 0.018 0.000 1.117 1177 R CA 1.768 57.845 56.100 -0.038 0.000 0.981 1177 R CB -0.375 29.815 30.300 -0.183 0.000 0.870 1177 R HN 0.611 nan 8.270 nan 0.000 0.451 1178 W N 0.394 121.818 121.300 0.207 0.000 3.220 1178 W HA 0.290 4.950 4.660 0.000 0.000 0.328 1178 W C 0.293 177.027 176.519 0.359 0.000 1.205 1178 W CA -0.515 57.012 57.345 0.303 0.000 1.773 1178 W CB 0.224 29.828 29.460 0.241 0.000 1.086 1178 W HN -0.003 nan 8.180 nan 0.000 0.622 1179 M N 1.191 121.016 119.600 0.375 0.000 2.216 1179 M HA 0.086 4.566 4.480 0.000 0.000 0.356 1179 M C 0.991 177.117 176.300 -0.289 0.000 1.205 1179 M CA 0.155 55.543 55.300 0.147 0.000 1.122 1179 M CB 1.335 33.992 32.600 0.095 0.000 1.571 1179 M HN -0.257 nan 8.290 nan 0.000 0.464 1180 S N 2.763 118.121 115.700 -0.570 0.000 2.593 1180 S HA 0.229 4.699 4.470 0.000 0.000 0.269 1180 S C -2.159 171.905 174.600 -0.894 0.000 1.334 1180 S CA -1.173 56.263 58.200 -1.275 0.000 1.015 1180 S CB 0.276 63.032 63.200 -0.741 0.000 0.912 1180 S HN 0.453 nan 8.310 nan 0.000 0.541 1181 P HA -0.176 nan 4.420 nan 0.000 0.216 1181 P C 1.684 178.685 177.300 -0.499 0.000 1.150 1181 P CA 1.335 64.045 63.100 -0.650 0.000 0.837 1181 P CB -0.055 31.191 31.700 -0.757 0.000 0.786 1182 E N -0.350 119.536 120.200 -0.524 0.000 2.150 1182 E HA -0.101 4.249 4.350 0.000 0.000 0.193 1182 E C 1.702 178.087 176.600 -0.359 0.000 0.985 1182 E CA 1.362 57.541 56.400 -0.368 0.000 0.814 1182 E CB -1.210 28.312 29.700 -0.296 0.000 0.752 1182 E HN 0.142 nan 8.360 nan 0.000 0.466 1183 S N 1.392 116.824 115.700 -0.447 0.000 2.355 1183 S HA -0.011 4.459 4.470 0.000 0.000 0.222 1183 S C 2.176 176.547 174.600 -0.381 0.000 1.031 1183 S CA 1.038 58.893 58.200 -0.576 0.000 0.993 1183 S CB -0.321 62.497 63.200 -0.637 0.000 0.859 1183 S HN 0.204 nan 8.310 nan 0.000 0.453 1184 L N 1.180 122.231 121.223 -0.288 0.000 2.079 1184 L HA -0.122 4.218 4.340 0.000 0.000 0.210 1184 L C 2.493 179.274 176.870 -0.149 0.000 1.081 1184 L CA 1.313 56.045 54.840 -0.181 0.000 0.752 1184 L CB -0.345 41.606 42.059 -0.179 0.000 0.896 1184 L HN 0.262 nan 8.230 nan 0.000 0.433 1185 K N -0.951 119.344 120.400 -0.174 0.000 2.243 1185 K HA -0.093 4.227 4.320 0.000 0.000 0.201 1185 K C 0.766 177.303 176.600 -0.105 0.000 1.051 1185 K CA 1.239 57.453 56.287 -0.122 0.000 0.970 1185 K CB 0.384 32.813 32.500 -0.117 0.000 0.755 1185 K HN 0.233 nan 8.250 nan 0.000 0.465 1186 D N -1.998 118.320 120.400 -0.138 0.000 2.497 1186 D HA 0.102 4.742 4.640 0.000 0.000 0.256 1186 D C 0.194 176.425 176.300 -0.116 0.000 1.273 1186 D CA 0.658 54.594 54.000 -0.105 0.000 0.812 1186 D CB 1.345 42.088 40.800 -0.096 0.000 1.190 1186 D HN 0.314 nan 8.370 nan 0.000 0.524 1187 G N 1.704 110.388 108.800 -0.193 0.000 2.176 1187 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 1187 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 1187 G C 0.277 175.026 174.900 -0.252 0.000 1.024 1187 G CA 0.309 45.294 45.100 -0.193 0.000 0.755 1187 G HN 0.273 nan 8.290 nan 0.000 0.507 1188 V N 0.377 120.078 119.914 -0.356 0.000 2.465 1188 V HA 0.703 4.823 4.120 0.000 0.000 0.279 1188 V C 0.013 175.823 176.094 -0.474 0.000 1.045 1188 V CA -0.301 61.852 62.300 -0.244 0.000 0.938 1188 V CB 0.972 32.718 31.823 -0.129 0.000 0.986 1188 V HN 0.238 nan 8.190 nan 0.000 0.467 1189 F N 3.415 123.376 119.950 0.019 0.000 2.507 1189 F HA 0.700 5.227 4.527 0.000 0.000 0.325 1189 F C 0.547 176.362 175.800 0.025 0.000 1.116 1189 F CA -0.425 57.597 58.000 0.037 0.000 0.930 1189 F CB 2.218 41.254 39.000 0.060 0.000 1.146 1189 F HN 0.584 nan 8.300 nan 0.000 0.447 1190 T N -3.281 111.375 114.554 0.170 0.000 2.669 1190 T HA 0.275 4.625 4.350 0.000 0.000 0.283 1190 T C 0.941 175.657 174.700 0.027 0.000 1.019 1190 T CA 0.073 62.185 62.100 0.020 0.000 1.039 1190 T CB 1.196 69.987 68.868 -0.129 0.000 1.374 1190 T HN 0.568 nan 8.240 nan 0.000 0.523 1191 T N -1.529 112.934 114.554 -0.152 0.000 2.951 1191 T HA -0.066 4.284 4.350 0.000 0.000 0.268 1191 T C 1.372 176.097 174.700 0.042 0.000 1.073 1191 T CA 0.920 63.011 62.100 -0.015 0.000 1.134 1191 T CB -0.866 67.965 68.868 -0.062 0.000 0.884 1191 T HN 0.567 nan 8.240 nan 0.000 0.479 1192 Y N 2.945 123.298 120.300 0.090 0.000 2.181 1192 Y HA -0.019 4.531 4.550 0.000 0.000 0.288 1192 Y C 3.239 179.218 175.900 0.133 0.000 1.146 1192 Y CA 0.581 58.717 58.100 0.061 0.000 1.164 1192 Y CB -1.213 37.266 38.460 0.032 0.000 0.982 1192 Y HN 0.484 nan 8.280 nan 0.000 0.515 1193 S N -0.480 115.390 115.700 0.285 0.000 2.402 1193 S HA -0.166 4.304 4.470 0.000 0.000 0.229 1193 S C 1.596 176.435 174.600 0.400 0.000 1.021 1193 S CA 1.398 59.767 58.200 0.282 0.000 0.974 1193 S CB -0.440 62.877 63.200 0.195 0.000 0.800 1193 S HN 0.314 nan 8.310 nan 0.000 0.484 1194 D N 1.340 121.965 120.400 0.376 0.000 2.178 1194 D HA -0.005 4.635 4.640 0.000 0.000 0.201 1194 D C 1.991 178.591 176.300 0.500 0.000 0.980 1194 D CA 0.782 55.055 54.000 0.455 0.000 0.842 1194 D CB -0.353 40.741 40.800 0.490 0.000 0.948 1194 D HN 0.344 nan 8.370 nan 0.000 0.472 1195 V N 0.562 120.647 119.914 0.285 0.000 2.379 1195 V HA -0.170 3.950 4.120 0.000 0.000 0.245 1195 V C 2.165 178.463 176.094 0.340 0.000 1.044 1195 V CA 1.146 63.484 62.300 0.063 0.000 1.036 1195 V CB -0.497 31.208 31.823 -0.197 0.000 0.664 1195 V HN 0.404 nan 8.190 nan 0.000 0.453 1196 W N 1.426 122.869 121.300 0.238 0.000 2.301 1196 W HA -0.292 4.368 4.660 0.000 0.000 0.325 1196 W C 2.529 179.309 176.519 0.435 0.000 1.250 1196 W CA 2.610 60.162 57.345 0.344 0.000 1.261 1196 W CB -0.715 28.912 29.460 0.280 0.000 1.157 1196 W HN 0.342 nan 8.180 nan 0.000 0.473 1197 S N 0.831 116.962 115.700 0.718 0.000 2.370 1197 S HA -0.278 4.192 4.470 0.000 0.000 0.226 1197 S C 1.548 176.444 174.600 0.494 0.000 1.033 1197 S CA 1.772 60.356 58.200 0.640 0.000 1.011 1197 S CB -1.264 62.293 63.200 0.594 0.000 0.852 1197 S HN 0.389 nan 8.310 nan 0.000 0.457 1198 F N 2.702 122.848 119.950 0.328 0.000 2.154 1198 F HA -0.121 4.406 4.527 0.000 0.000 0.301 1198 F C 2.205 178.087 175.800 0.136 0.000 1.087 1198 F CA 1.358 59.512 58.000 0.256 0.000 1.274 1198 F CB -0.882 38.334 39.000 0.359 0.000 1.009 1198 F HN 0.216 nan 8.300 nan 0.000 0.485 1199 G N -0.253 108.570 108.800 0.039 0.000 2.408 1199 G HA2 -0.181 3.779 3.960 0.000 0.000 0.217 1199 G HA3 -0.181 3.779 3.960 0.000 0.000 0.217 1199 G C 1.692 176.568 174.900 -0.040 0.000 1.150 1199 G CA 1.023 45.925 45.100 -0.330 0.000 0.776 1199 G HN 0.357 nan 8.290 nan 0.000 0.542 1200 V N 0.931 120.994 119.914 0.248 0.000 2.427 1200 V HA -0.149 3.971 4.120 0.000 0.000 0.248 1200 V C 3.022 179.278 176.094 0.269 0.000 1.051 1200 V CA 1.632 64.089 62.300 0.262 0.000 1.048 1200 V CB -0.046 31.805 31.823 0.047 0.000 0.666 1200 V HN 0.378 nan 8.190 nan 0.000 0.456 1201 V N -1.417 118.626 119.914 0.214 0.000 2.970 1201 V HA -0.061 4.059 4.120 0.000 0.000 0.260 1201 V C 1.947 178.045 176.094 0.006 0.000 1.100 1201 V CA 1.461 63.868 62.300 0.179 0.000 1.122 1201 V CB -0.360 31.551 31.823 0.146 0.000 0.721 1201 V HN 0.460 nan 8.190 nan 0.000 0.483 1202 L N -1.456 119.678 121.223 -0.148 0.000 2.044 1202 L HA -0.027 4.313 4.340 0.000 0.000 0.205 1202 L C 2.365 179.247 176.870 0.019 0.000 1.075 1202 L CA 2.199 56.932 54.840 -0.178 0.000 0.747 1202 L CB -0.581 41.276 42.059 -0.336 0.000 0.903 1202 L HN 0.560 nan 8.230 nan 0.000 0.435 1203 W N 1.497 122.768 121.300 -0.049 0.000 2.338 1203 W HA -0.224 4.436 4.660 0.000 0.000 0.304 1203 W C 2.424 178.957 176.519 0.022 0.000 1.212 1203 W CA 1.745 59.117 57.345 0.045 0.000 1.264 1203 W CB 0.063 29.617 29.460 0.158 0.000 1.142 1203 W HN 0.110 nan 8.180 nan 0.000 0.512 1204 E N -0.094 120.330 120.200 0.373 0.000 2.077 1204 E HA -0.252 4.098 4.350 0.000 0.000 0.193 1204 E C 2.058 178.694 176.600 0.060 0.000 0.989 1204 E CA 1.807 58.366 56.400 0.265 0.000 0.800 1204 E CB -0.477 29.428 29.700 0.342 0.000 0.746 1204 E HN 0.387 nan 8.360 nan 0.000 0.452 1205 I N 1.009 121.599 120.570 0.033 0.000 2.252 1205 I HA -0.235 3.935 4.170 0.000 0.000 0.245 1205 I C 2.541 178.610 176.117 -0.080 0.000 1.102 1205 I CA 0.855 62.152 61.300 -0.006 0.000 1.385 1205 I CB -0.247 37.749 38.000 -0.006 0.000 1.064 1205 I HN 0.056 nan 8.210 nan 0.000 0.414 1206 A N 0.609 123.346 122.820 -0.138 0.000 1.883 1206 A HA -0.232 4.088 4.320 0.000 0.000 0.217 1206 A C 2.312 179.725 177.584 -0.284 0.000 1.186 1206 A CA 2.462 54.374 52.037 -0.209 0.000 0.624 1206 A CB -1.193 17.655 19.000 -0.253 0.000 0.822 1206 A HN 0.508 nan 8.150 nan 0.000 0.444 1207 T N -3.327 110.981 114.554 -0.409 0.000 3.144 1207 T HA 0.410 4.760 4.350 0.000 0.000 0.249 1207 T C 0.632 175.199 174.700 -0.222 0.000 1.089 1207 T CA 0.399 62.242 62.100 -0.427 0.000 0.989 1207 T CB -0.366 68.046 68.868 -0.761 0.000 0.992 1207 T HN 0.643 nan 8.240 nan 0.000 0.540 1208 L N -0.346 120.789 121.223 -0.147 0.000 4.291 1208 L HA -0.267 4.073 4.340 0.000 0.000 0.413 1208 L C 0.863 177.721 176.870 -0.021 0.000 1.162 1208 L CA 0.338 55.130 54.840 -0.079 0.000 0.961 1208 L CB -2.409 39.595 42.059 -0.091 0.000 2.095 1208 L HN 0.826 nan 8.230 nan 0.000 0.838 1209 A N -1.421 121.410 122.820 0.018 0.000 3.666 1209 A HA -0.137 4.183 4.320 0.000 0.000 0.212 1209 A C 0.512 178.192 177.584 0.162 0.000 1.299 1209 A CA 1.072 53.184 52.037 0.125 0.000 0.969 1209 A CB -1.310 17.762 19.000 0.120 0.000 1.052 1209 A HN 0.581 nan 8.150 nan 0.000 0.672 1210 E N -0.050 120.231 120.200 0.136 0.000 2.391 1210 E HA 0.260 4.611 4.350 0.000 0.000 0.255 1210 E C 0.511 177.316 176.600 0.341 0.000 1.187 1210 E CA -0.354 56.158 56.400 0.186 0.000 0.941 1210 E CB 0.341 30.103 29.700 0.103 0.000 1.010 1210 E HN 0.547 nan 8.360 nan 0.000 0.458 1211 Q N 1.869 121.824 119.800 0.258 0.000 2.295 1211 Q HA 0.169 4.509 4.340 0.000 0.000 0.259 1211 Q C -2.318 173.733 176.000 0.086 0.000 0.976 1211 Q CA -1.994 53.922 55.803 0.188 0.000 0.923 1211 Q CB 0.741 29.564 28.738 0.143 0.000 1.185 1211 Q HN 0.094 nan 8.270 nan 0.000 0.410 1212 P HA -0.120 nan 4.420 nan 0.000 0.262 1212 P C -1.246 175.911 177.300 -0.238 0.000 1.182 1212 P CA 0.695 63.391 63.100 -0.674 0.000 0.761 1212 P CB 0.036 31.306 31.700 -0.715 0.000 0.795 1213 Y N -0.001 120.051 120.300 -0.414 0.000 4.177 1213 Y HA -0.273 4.277 4.550 0.000 0.000 0.227 1213 Y C 0.863 176.679 175.900 -0.139 0.000 1.154 1213 Y CA 0.088 58.044 58.100 -0.240 0.000 1.887 1213 Y CB -2.757 35.581 38.460 -0.204 0.000 1.594 1213 Y HN 0.451 nan 8.280 nan 0.000 0.668 1214 Q N 0.629 120.443 119.800 0.024 0.000 2.368 1214 Q HA 0.107 4.447 4.340 0.000 0.000 0.331 1214 Q C 1.463 177.468 176.000 0.008 0.000 1.086 1214 Q CA 1.861 57.687 55.803 0.040 0.000 1.031 1214 Q CB 0.485 29.261 28.738 0.063 0.000 1.125 1214 Q HN 0.824 nan 8.270 nan 0.000 0.389 1215 G N 1.865 110.667 108.800 0.003 0.000 2.259 1215 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 1215 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 1215 G C 0.057 174.934 174.900 -0.038 0.000 1.001 1215 G CA -0.319 44.769 45.100 -0.020 0.000 0.627 1215 G HN 0.451 nan 8.290 nan 0.000 0.501 1216 L N 2.356 123.555 121.223 -0.039 0.000 2.325 1216 L HA 0.614 4.954 4.340 0.000 0.000 0.279 1216 L C 1.061 177.913 176.870 -0.029 0.000 1.054 1216 L CA -0.198 54.607 54.840 -0.058 0.000 0.804 1216 L CB 1.659 43.659 42.059 -0.098 0.000 1.200 1216 L HN 0.431 nan 8.230 nan 0.000 0.436 1217 S N 0.864 116.547 115.700 -0.030 0.000 2.586 1217 S HA 0.196 4.666 4.470 0.000 0.000 0.274 1217 S C 0.857 175.443 174.600 -0.024 0.000 1.281 1217 S CA -0.845 57.346 58.200 -0.015 0.000 1.035 1217 S CB 1.255 64.448 63.200 -0.011 0.000 0.962 1217 S HN 0.592 nan 8.310 nan 0.000 0.512 1218 N N 2.118 120.811 118.700 -0.012 0.000 2.073 1218 N HA -0.213 4.527 4.740 0.000 0.000 0.199 1218 N C 1.510 177.002 175.510 -0.029 0.000 1.023 1218 N CA 1.923 54.962 53.050 -0.019 0.000 0.880 1218 N CB -0.677 37.814 38.487 0.007 0.000 1.052 1218 N HN 0.745 nan 8.380 nan 0.000 0.449 1219 E N 0.947 121.137 120.200 -0.016 0.000 2.114 1219 E HA -0.211 4.139 4.350 0.000 0.000 0.199 1219 E C 1.932 178.522 176.600 -0.018 0.000 1.008 1219 E CA 1.254 57.645 56.400 -0.015 0.000 0.810 1219 E CB -0.135 29.560 29.700 -0.008 0.000 0.739 1219 E HN 0.606 nan 8.360 nan 0.000 0.456 1220 Q N -0.210 119.576 119.800 -0.023 0.000 2.062 1220 Q HA -0.060 4.280 4.340 0.000 0.000 0.196 1220 Q C 2.445 178.441 176.000 -0.008 0.000 0.967 1220 Q CA 0.965 56.757 55.803 -0.019 0.000 0.832 1220 Q CB 0.022 28.735 28.738 -0.042 0.000 0.899 1220 Q HN 0.092 nan 8.270 nan 0.000 0.442 1221 V N 1.565 121.439 119.914 -0.065 0.000 2.287 1221 V HA -0.259 3.861 4.120 0.000 0.000 0.248 1221 V C 2.215 178.238 176.094 -0.118 0.000 1.053 1221 V CA 1.504 63.715 62.300 -0.148 0.000 1.027 1221 V CB -0.610 31.022 31.823 -0.318 0.000 0.646 1221 V HN 0.353 nan 8.190 nan 0.000 0.447 1222 L N 0.359 121.526 121.223 -0.094 0.000 2.013 1222 L HA -0.184 4.156 4.340 0.000 0.000 0.212 1222 L C 2.491 179.332 176.870 -0.049 0.000 1.073 1222 L CA 2.011 56.803 54.840 -0.080 0.000 0.753 1222 L CB -1.056 40.972 42.059 -0.052 0.000 0.890 1222 L HN 0.227 nan 8.230 nan 0.000 0.432 1223 R N -1.888 118.608 120.500 -0.006 0.000 2.073 1223 R HA -0.160 4.180 4.340 0.000 0.000 0.229 1223 R C 2.228 178.559 176.300 0.053 0.000 1.120 1223 R CA 1.445 57.555 56.100 0.017 0.000 0.967 1223 R CB -0.532 29.784 30.300 0.028 0.000 0.862 1223 R HN 0.392 nan 8.270 nan 0.000 0.436 1224 F N 1.075 120.978 119.950 -0.078 0.000 2.095 1224 F HA -0.206 4.321 4.527 0.000 0.000 0.298 1224 F C 1.957 177.734 175.800 -0.038 0.000 1.104 1224 F CA 1.356 59.323 58.000 -0.056 0.000 1.232 1224 F CB -0.407 38.555 39.000 -0.063 0.000 0.987 1224 F HN -0.280 nan 8.300 nan 0.000 0.475 1225 V N 0.412 120.184 119.914 -0.237 0.000 2.453 1225 V HA -0.285 3.835 4.120 0.000 0.000 0.247 1225 V C 2.452 178.455 176.094 -0.153 0.000 1.048 1225 V CA 1.931 64.059 62.300 -0.288 0.000 1.049 1225 V CB -0.517 31.179 31.823 -0.212 0.000 0.672 1225 V HN 0.375 nan 8.190 nan 0.000 0.457 1226 M N -0.621 118.915 119.600 -0.106 0.000 2.279 1226 M HA -0.179 4.301 4.480 0.000 0.000 0.264 1226 M C 1.780 178.117 176.300 0.061 0.000 1.062 1226 M CA 1.665 56.952 55.300 -0.022 0.000 1.099 1226 M CB -0.197 32.377 32.600 -0.044 0.000 1.394 1226 M HN 0.365 nan 8.290 nan 0.000 0.426 1227 E N -1.197 118.975 120.200 -0.047 0.000 2.474 1227 E HA 0.145 4.495 4.350 0.000 0.000 0.195 1227 E C 1.048 177.526 176.600 -0.205 0.000 1.039 1227 E CA 0.379 56.714 56.400 -0.108 0.000 0.881 1227 E CB 0.605 30.259 29.700 -0.077 0.000 0.970 1227 E HN 0.603 nan 8.360 nan 0.000 0.486 1228 G N 0.750 109.451 108.800 -0.166 0.000 2.227 1228 G HA2 -0.171 3.789 3.960 0.000 0.000 0.168 1228 G HA3 -0.171 3.789 3.960 0.000 0.000 0.168 1228 G C 0.549 175.322 174.900 -0.211 0.000 1.006 1228 G CA -0.541 44.464 45.100 -0.157 0.000 0.684 1228 G HN 0.416 nan 8.290 nan 0.000 0.489 1229 G N 0.028 108.506 108.800 -0.537 0.000 2.474 1229 G HA2 0.479 4.439 3.960 0.000 0.000 0.233 1229 G HA3 0.479 4.439 3.960 0.000 0.000 0.233 1229 G C 0.150 174.684 174.900 -0.610 0.000 1.278 1229 G CA 0.320 44.733 45.100 -1.144 0.000 0.861 1229 G HN 0.697 nan 8.290 nan 0.000 0.567 1230 L N 0.396 121.453 121.223 -0.277 0.000 2.283 1230 L HA 0.483 4.823 4.340 0.000 0.000 0.259 1230 L C 0.049 176.873 176.870 -0.075 0.000 1.027 1230 L CA -1.066 53.669 54.840 -0.175 0.000 0.828 1230 L CB 1.893 43.941 42.059 -0.019 0.000 1.380 1230 L HN 0.320 nan 8.230 nan 0.000 0.425 1231 L N 0.514 121.436 121.223 -0.502 0.000 2.436 1231 L HA 0.226 4.566 4.340 0.000 0.000 0.265 1231 L C -0.388 176.561 176.870 0.132 0.000 1.168 1231 L CA -0.321 54.246 54.840 -0.455 0.000 0.815 1231 L CB 0.450 41.849 42.059 -1.100 0.000 1.109 1231 L HN 0.437 nan 8.230 nan 0.000 0.462 1232 D N 1.214 121.739 120.400 0.207 0.000 2.225 1232 D HA 0.107 4.747 4.640 0.000 0.000 0.249 1232 D C -0.120 176.288 176.300 0.180 0.000 1.052 1232 D CA -0.497 53.629 54.000 0.210 0.000 0.909 1232 D CB 1.185 42.043 40.800 0.097 0.000 1.186 1232 D HN 0.285 nan 8.370 nan 0.000 0.431 1233 K N 2.028 122.195 120.400 -0.388 0.000 2.491 1233 K HA 0.061 4.381 4.320 0.000 0.000 0.279 1233 K C -2.304 174.077 176.600 -0.365 0.000 1.026 1233 K CA -0.825 54.873 56.287 -0.981 0.000 1.070 1233 K CB 0.151 31.762 32.500 -1.481 0.000 0.887 1233 K HN 0.061 nan 8.250 nan 0.000 0.481 1234 P HA -0.014 nan 4.420 nan 0.000 0.271 1234 P C -0.933 176.224 177.300 -0.239 0.000 1.216 1234 P CA -0.200 62.717 63.100 -0.304 0.000 0.776 1234 P CB 0.478 31.906 31.700 -0.454 0.000 0.881 1235 D N 2.699 122.982 120.400 -0.194 0.000 2.581 1235 D HA -0.095 4.545 4.640 0.000 0.000 0.238 1235 D C 0.503 176.715 176.300 -0.147 0.000 1.145 1235 D CA 1.062 54.973 54.000 -0.149 0.000 0.866 1235 D CB -0.330 40.398 40.800 -0.121 0.000 1.151 1235 D HN 0.485 nan 8.370 nan 0.000 0.500 1236 N N 0.408 119.035 118.700 -0.123 0.000 2.829 1236 N HA -0.209 4.531 4.740 0.000 0.000 0.250 1236 N C -0.102 175.345 175.510 -0.106 0.000 1.090 1236 N CA -0.072 52.917 53.050 -0.103 0.000 0.781 1236 N CB -1.474 36.957 38.487 -0.093 0.000 1.124 1236 N HN 0.344 nan 8.380 nan 0.000 0.559 1237 C N 1.949 121.174 119.300 -0.126 0.000 2.482 1237 C HA 0.321 4.781 4.460 0.000 0.000 0.378 1237 C C -1.788 173.167 174.990 -0.059 0.000 1.284 1237 C CA -1.592 57.362 59.018 -0.105 0.000 1.826 1237 C CB -0.221 27.441 27.740 -0.129 0.000 2.473 1237 C HN 0.154 nan 8.230 nan 0.000 0.562 1238 P HA 0.041 nan 4.420 nan 0.000 0.261 1238 P C 0.172 177.483 177.300 0.018 0.000 1.173 1238 P CA 0.682 63.771 63.100 -0.018 0.000 0.760 1238 P CB 0.460 32.147 31.700 -0.022 0.000 0.783 1239 D N 2.206 122.619 120.400 0.021 0.000 2.221 1239 D HA -0.194 4.446 4.640 0.000 0.000 0.204 1239 D C 1.637 177.979 176.300 0.070 0.000 0.982 1239 D CA 0.988 55.025 54.000 0.061 0.000 0.857 1239 D CB -0.304 40.520 40.800 0.039 0.000 0.934 1239 D HN 0.386 nan 8.370 nan 0.000 0.475 1240 M N 0.217 119.834 119.600 0.028 0.000 2.123 1240 M HA -0.069 4.411 4.480 0.000 0.000 0.263 1240 M C 1.799 178.094 176.300 -0.008 0.000 1.069 1240 M CA 1.032 56.335 55.300 0.005 0.000 1.133 1240 M CB -0.184 32.410 32.600 -0.010 0.000 1.356 1240 M HN 0.127 nan 8.290 nan 0.000 0.415 1241 L N 0.620 121.843 121.223 -0.001 0.000 2.017 1241 L HA -0.171 4.169 4.340 0.000 0.000 0.208 1241 L C 2.248 179.104 176.870 -0.023 0.000 1.073 1241 L CA 1.856 56.681 54.840 -0.024 0.000 0.745 1241 L CB -1.302 40.744 42.059 -0.021 0.000 0.894 1241 L HN 0.385 nan 8.230 nan 0.000 0.432 1242 F N -0.097 119.794 119.950 -0.097 0.000 2.365 1242 F HA -0.143 4.384 4.527 0.000 0.000 0.300 1242 F C 2.284 178.016 175.800 -0.113 0.000 1.090 1242 F CA 1.209 59.153 58.000 -0.093 0.000 1.408 1242 F CB 0.003 38.986 39.000 -0.028 0.000 1.060 1242 F HN 0.153 nan 8.300 nan 0.000 0.534 1243 E N 0.364 120.491 120.200 -0.122 0.000 2.158 1243 E HA -0.094 4.256 4.350 0.000 0.000 0.191 1243 E C 2.338 178.779 176.600 -0.264 0.000 0.982 1243 E CA 0.683 56.968 56.400 -0.190 0.000 0.823 1243 E CB -0.406 29.260 29.700 -0.056 0.000 0.766 1243 E HN 0.452 nan 8.360 nan 0.000 0.468 1244 L N -0.219 120.868 121.223 -0.227 0.000 1.989 1244 L HA -0.243 4.098 4.340 0.000 0.000 0.211 1244 L C 2.275 178.896 176.870 -0.415 0.000 1.071 1244 L CA 1.521 56.223 54.840 -0.229 0.000 0.749 1244 L CB -0.300 41.674 42.059 -0.141 0.000 0.890 1244 L HN 0.306 nan 8.230 nan 0.000 0.431 1245 M N -0.917 118.308 119.600 -0.626 0.000 2.089 1245 M HA -0.308 4.172 4.480 0.000 0.000 0.257 1245 M C 2.266 177.798 176.300 -1.279 0.000 1.071 1245 M CA 1.930 56.505 55.300 -1.209 0.000 1.096 1245 M CB -0.634 31.101 32.600 -1.442 0.000 1.330 1245 M HN 0.182 nan 8.290 nan 0.000 0.403 1246 R N -0.025 119.950 120.500 -0.876 0.000 2.127 1246 R HA -0.111 4.229 4.340 0.000 0.000 0.238 1246 R C 2.113 178.252 176.300 -0.268 0.000 1.134 1246 R CA 1.504 57.329 56.100 -0.459 0.000 0.975 1246 R CB -0.435 29.633 30.300 -0.387 0.000 0.865 1246 R HN 0.484 nan 8.270 nan 0.000 0.447 1247 M N -0.399 119.024 119.600 -0.296 0.000 2.123 1247 M HA -0.139 4.341 4.480 0.000 0.000 0.263 1247 M C 2.413 178.620 176.300 -0.154 0.000 1.069 1247 M CA 1.258 56.458 55.300 -0.167 0.000 1.133 1247 M CB -0.314 32.200 32.600 -0.144 0.000 1.356 1247 M HN 0.191 nan 8.290 nan 0.000 0.415 1248 C N -0.527 118.598 119.300 -0.291 0.000 2.409 1248 C HA -0.141 4.319 4.460 0.000 0.000 0.284 1248 C C 1.895 176.841 174.990 -0.074 0.000 1.354 1248 C CA 0.290 59.172 59.018 -0.228 0.000 1.787 1248 C CB -1.219 26.315 27.740 -0.343 0.000 1.900 1248 C HN 0.664 nan 8.230 nan 0.000 0.520 1249 W N -0.118 121.063 121.300 -0.199 0.000 3.316 1249 W HA 0.304 4.964 4.660 0.000 0.000 0.327 1249 W C 0.930 177.558 176.519 0.182 0.000 1.232 1249 W CA -0.475 56.711 57.345 -0.264 0.000 1.805 1249 W CB -1.088 28.025 29.460 -0.579 0.000 1.090 1249 W HN 0.276 nan 8.180 nan 0.000 0.654 1250 Q N 0.511 120.484 119.800 0.288 0.000 2.320 1250 Q HA -0.168 4.172 4.340 0.000 0.000 0.311 1250 Q C 1.106 177.291 176.000 0.309 0.000 1.083 1250 Q CA 0.453 56.398 55.803 0.235 0.000 1.001 1250 Q CB -0.020 28.782 28.738 0.107 0.000 1.074 1250 Q HN 0.310 nan 8.270 nan 0.000 0.379 1251 Y N 3.569 123.978 120.300 0.181 0.000 2.114 1251 Y HA -0.273 4.277 4.550 0.000 0.000 0.282 1251 Y C 0.818 176.739 175.900 0.035 0.000 1.165 1251 Y CA 1.963 60.130 58.100 0.112 0.000 1.148 1251 Y CB 0.178 38.665 38.460 0.044 0.000 0.972 1251 Y HN 0.690 nan 8.280 nan 0.000 0.504 1252 N N 1.093 119.881 118.700 0.145 0.000 2.420 1252 N HA 0.027 4.767 4.740 0.000 0.000 0.262 1252 N C -2.162 173.300 175.510 -0.080 0.000 1.144 1252 N CA -1.723 51.332 53.050 0.008 0.000 0.952 1252 N CB 1.212 39.718 38.487 0.032 0.000 1.081 1252 N HN 0.052 nan 8.380 nan 0.000 0.480 1253 P HA -0.124 nan 4.420 nan 0.000 0.217 1253 P C 0.431 177.421 177.300 -0.516 0.000 1.148 1253 P CA 1.611 64.586 63.100 -0.207 0.000 0.828 1253 P CB 0.255 31.882 31.700 -0.121 0.000 0.783 1254 K N -1.470 118.621 120.400 -0.515 0.000 2.525 1254 K HA 0.096 4.416 4.320 0.000 0.000 0.192 1254 K C 1.204 177.632 176.600 -0.288 0.000 1.029 1254 K CA 0.569 56.513 56.287 -0.571 0.000 1.029 1254 K CB -0.168 32.126 32.500 -0.343 0.000 0.814 1254 K HN 0.110 nan 8.250 nan 0.000 0.503 1255 M N 0.543 120.034 119.600 -0.182 0.000 2.383 1255 M HA 0.110 4.590 4.480 0.000 0.000 0.247 1255 M C -0.009 176.254 176.300 -0.062 0.000 1.117 1255 M CA 0.319 55.568 55.300 -0.086 0.000 0.995 1255 M CB -0.012 32.569 32.600 -0.031 0.000 1.480 1255 M HN -0.062 nan 8.290 nan 0.000 0.485 1256 R N 1.318 121.766 120.500 -0.088 0.000 2.500 1256 R HA 0.410 4.750 4.340 0.000 0.000 0.277 1256 R C -2.077 174.188 176.300 -0.057 0.000 1.026 1256 R CA -1.431 54.642 56.100 -0.044 0.000 1.058 1256 R CB 0.169 30.475 30.300 0.010 0.000 1.078 1256 R HN 0.022 nan 8.270 nan 0.000 0.509 1257 P HA 0.013 nan 4.420 nan 0.000 0.274 1257 P C -0.566 176.670 177.300 -0.107 0.000 1.237 1257 P CA -0.388 62.668 63.100 -0.073 0.000 0.793 1257 P CB 0.969 32.617 31.700 -0.088 0.000 0.977 1258 S N 0.158 115.819 115.700 -0.064 0.000 2.655 1258 S HA 0.237 4.707 4.470 0.000 0.000 0.265 1258 S C 1.005 175.512 174.600 -0.155 0.000 1.240 1258 S CA -0.330 57.826 58.200 -0.073 0.000 0.986 1258 S CB -0.059 63.174 63.200 0.056 0.000 0.985 1258 S HN 0.226 nan 8.310 nan 0.000 0.562 1259 F N 0.181 120.123 119.950 -0.012 0.000 2.259 1259 F HA 0.138 4.665 4.527 0.000 0.000 0.298 1259 F C 2.026 177.819 175.800 -0.013 0.000 1.088 1259 F CA 0.740 58.685 58.000 -0.092 0.000 1.358 1259 F CB -0.734 38.216 39.000 -0.084 0.000 1.040 1259 F HN 0.430 nan 8.300 nan 0.000 0.505 1260 L N -0.396 120.987 121.223 0.265 0.000 2.046 1260 L HA -0.207 4.133 4.340 0.000 0.000 0.208 1260 L C 2.325 179.298 176.870 0.171 0.000 1.077 1260 L CA 1.424 56.432 54.840 0.281 0.000 0.747 1260 L CB -0.612 41.619 42.059 0.287 0.000 0.896 1260 L HN 0.123 nan 8.230 nan 0.000 0.432 1261 E N 0.243 120.501 120.200 0.097 0.000 2.058 1261 E HA -0.233 4.117 4.350 0.000 0.000 0.194 1261 E C 2.273 178.869 176.600 -0.007 0.000 0.997 1261 E CA 1.365 57.791 56.400 0.043 0.000 0.801 1261 E CB -0.090 29.620 29.700 0.016 0.000 0.746 1261 E HN 0.453 nan 8.360 nan 0.000 0.450 1262 I N 0.837 121.389 120.570 -0.030 0.000 2.163 1262 I HA -0.294 3.876 4.170 0.000 0.000 0.243 1262 I C 2.374 178.448 176.117 -0.072 0.000 1.085 1262 I CA 1.132 62.403 61.300 -0.048 0.000 1.347 1262 I CB -0.404 37.547 38.000 -0.080 0.000 1.044 1262 I HN 0.142 nan 8.210 nan 0.000 0.408 1263 I N 0.293 120.801 120.570 -0.104 0.000 2.179 1263 I HA -0.310 3.860 4.170 0.000 0.000 0.242 1263 I C 2.812 178.710 176.117 -0.365 0.000 1.088 1263 I CA 1.608 62.756 61.300 -0.253 0.000 1.357 1263 I CB -0.417 37.377 38.000 -0.343 0.000 1.051 1263 I HN 0.212 nan 8.210 nan 0.000 0.409 1264 S N 0.501 116.011 115.700 -0.318 0.000 2.419 1264 S HA -0.184 4.286 4.470 0.000 0.000 0.235 1264 S C 2.143 176.691 174.600 -0.087 0.000 1.019 1264 S CA 1.780 59.867 58.200 -0.188 0.000 0.982 1264 S CB -0.393 62.841 63.200 0.056 0.000 0.789 1264 S HN 0.601 nan 8.310 nan 0.000 0.490 1265 S N 1.033 116.686 115.700 -0.077 0.000 2.489 1265 S HA 0.093 4.563 4.470 0.000 0.000 0.228 1265 S C 1.505 176.069 174.600 -0.060 0.000 0.995 1265 S CA 0.578 58.749 58.200 -0.048 0.000 0.934 1265 S CB -0.649 62.529 63.200 -0.037 0.000 0.771 1265 S HN 0.838 nan 8.310 nan 0.000 0.522 1266 I N -1.712 118.798 120.570 -0.100 0.000 4.240 1266 I HA 0.375 4.545 4.170 0.000 0.000 0.331 1266 I C 1.720 177.749 176.117 -0.148 0.000 1.381 1266 I CA -0.388 60.847 61.300 -0.108 0.000 1.136 1266 I CB 0.020 37.954 38.000 -0.109 0.000 1.137 1266 I HN 0.121 nan 8.210 nan 0.000 0.411 1267 K N 1.848 122.150 120.400 -0.164 0.000 2.113 1267 K HA -0.209 4.111 4.320 0.000 0.000 0.208 1267 K C 1.459 178.050 176.600 -0.015 0.000 1.047 1267 K CA 2.136 58.340 56.287 -0.139 0.000 0.928 1267 K CB -0.230 32.220 32.500 -0.083 0.000 0.716 1267 K HN 0.252 nan 8.250 nan 0.000 0.446 1268 E N 0.512 120.713 120.200 0.003 0.000 2.502 1268 E HA -0.032 4.318 4.350 0.000 0.000 0.194 1268 E C 0.567 177.164 176.600 -0.005 0.000 1.062 1268 E CA 0.430 56.848 56.400 0.031 0.000 0.867 1268 E CB 0.359 30.080 29.700 0.036 0.000 0.888 1268 E HN 0.372 nan 8.360 nan 0.000 0.510 1269 E N -1.005 119.165 120.200 -0.050 0.000 2.526 1269 E HA 0.156 4.506 4.350 0.000 0.000 0.208 1269 E C -0.373 176.176 176.600 -0.085 0.000 0.997 1269 E CA 0.008 56.373 56.400 -0.058 0.000 0.961 1269 E CB 0.321 29.981 29.700 -0.065 0.000 1.030 1269 E HN 0.100 nan 8.360 nan 0.000 0.483 1270 M N 1.610 121.134 119.600 -0.127 0.000 2.250 1270 M HA 0.184 4.664 4.480 0.000 0.000 0.344 1270 M C 0.328 176.609 176.300 -0.032 0.000 1.150 1270 M CA -0.207 54.985 55.300 -0.180 0.000 1.147 1270 M CB 0.573 32.882 32.600 -0.484 0.000 1.498 1270 M HN -0.062 nan 8.290 nan 0.000 0.461 1271 E N 2.516 122.720 120.200 0.005 0.000 2.442 1271 E HA -0.007 4.343 4.350 0.000 0.000 0.262 1271 E C -1.648 175.023 176.600 0.119 0.000 1.004 1271 E CA -1.188 55.248 56.400 0.061 0.000 0.928 1271 E CB -0.182 29.565 29.700 0.078 0.000 0.937 1271 E HN 0.381 nan 8.360 nan 0.000 0.446 1272 P HA -0.248 nan 4.420 nan 0.000 0.220 1272 P C 1.409 178.787 177.300 0.131 0.000 1.155 1272 P CA 2.067 65.226 63.100 0.098 0.000 0.880 1272 P CB -0.018 31.718 31.700 0.061 0.000 0.790 1273 G N -1.357 107.528 108.800 0.141 0.000 2.469 1273 G HA2 -0.334 3.626 3.960 0.000 0.000 0.219 1273 G HA3 -0.334 3.626 3.960 0.000 0.000 0.219 1273 G C 1.360 176.368 174.900 0.180 0.000 1.150 1273 G CA 0.695 45.874 45.100 0.132 0.000 0.763 1273 G HN 0.160 nan 8.290 nan 0.000 0.561 1274 F N 1.559 121.584 119.950 0.126 0.000 2.063 1274 F HA -0.304 4.223 4.527 0.000 0.000 0.296 1274 F C 2.704 178.654 175.800 0.251 0.000 1.093 1274 F CA 2.485 60.613 58.000 0.213 0.000 1.229 1274 F CB -0.313 38.826 39.000 0.231 0.000 0.971 1274 F HN 0.167 nan 8.300 nan 0.000 0.491 1275 R N 0.179 120.840 120.500 0.269 0.000 2.200 1275 R HA -0.191 4.149 4.340 0.000 0.000 0.234 1275 R C 1.466 177.748 176.300 -0.030 0.000 1.127 1275 R CA 1.979 58.096 56.100 0.027 0.000 0.989 1275 R CB -0.254 29.868 30.300 -0.296 0.000 0.869 1275 R HN 0.457 nan 8.270 nan 0.000 0.459 1276 E N -1.029 119.150 120.200 -0.035 0.000 2.489 1276 E HA -0.017 4.333 4.350 0.000 0.000 0.204 1276 E C 1.219 177.747 176.600 -0.120 0.000 1.006 1276 E CA 0.403 56.762 56.400 -0.068 0.000 0.936 1276 E CB 1.221 30.883 29.700 -0.064 0.000 1.002 1276 E HN 0.323 nan 8.360 nan 0.000 0.488 1277 V N -2.350 117.458 119.914 -0.177 0.000 3.539 1277 V HA 0.187 4.307 4.120 0.000 0.000 0.262 1277 V C 0.926 176.874 176.094 -0.243 0.000 1.381 1277 V CA -0.125 61.970 62.300 -0.341 0.000 1.060 1277 V CB 0.313 31.708 31.823 -0.714 0.000 0.842 1277 V HN 0.107 nan 8.190 nan 0.000 0.445 1278 S N 0.207 115.767 115.700 -0.234 0.000 2.593 1278 S HA 0.362 4.832 4.470 0.000 0.000 0.269 1278 S C 0.625 175.233 174.600 0.014 0.000 1.334 1278 S CA 0.197 58.270 58.200 -0.212 0.000 1.015 1278 S CB 0.932 63.546 63.200 -0.976 0.000 0.912 1278 S HN 0.480 nan 8.310 nan 0.000 0.541 1279 F N 1.540 121.507 119.950 0.030 0.000 2.293 1279 F HA 0.042 4.569 4.527 0.000 0.000 0.297 1279 F C 1.879 177.734 175.800 0.093 0.000 1.089 1279 F CA 0.724 58.784 58.000 0.100 0.000 1.377 1279 F CB -0.619 38.508 39.000 0.211 0.000 1.051 1279 F HN 0.818 nan 8.300 nan 0.000 0.511 1280 Y N -0.079 120.107 120.300 -0.190 0.000 2.114 1280 Y HA -0.323 4.227 4.550 0.000 0.000 0.282 1280 Y C 1.428 177.081 175.900 -0.413 0.000 1.165 1280 Y CA 2.258 60.144 58.100 -0.357 0.000 1.148 1280 Y CB -0.669 37.631 38.460 -0.266 0.000 0.972 1280 Y HN 0.172 nan 8.280 nan 0.000 0.504 1281 Y N 0.132 120.364 120.300 -0.112 0.000 2.470 1281 Y HA 0.123 4.673 4.550 0.000 0.000 0.284 1281 Y C 1.205 177.002 175.900 -0.171 0.000 1.188 1281 Y CA -0.376 57.642 58.100 -0.137 0.000 1.269 1281 Y CB 0.043 38.495 38.460 -0.012 0.000 1.094 1281 Y HN 0.028 nan 8.280 nan 0.000 0.518 1282 S N -0.686 114.947 115.700 -0.111 0.000 2.669 1282 S HA 0.111 4.581 4.470 0.000 0.000 0.270 1282 S C 1.073 175.604 174.600 -0.114 0.000 1.225 1282 S CA -0.756 57.396 58.200 -0.080 0.000 0.991 1282 S CB 1.213 64.394 63.200 -0.032 0.000 0.987 1282 S HN 0.249 nan 8.310 nan 0.000 0.552 1283 E N 1.029 121.202 120.200 -0.045 0.000 2.152 1283 E HA -0.119 4.231 4.350 0.000 0.000 0.192 1283 E C 1.793 178.374 176.600 -0.032 0.000 0.983 1283 E CA 1.129 57.507 56.400 -0.036 0.000 0.818 1283 E CB -0.291 29.406 29.700 -0.005 0.000 0.758 1283 E HN 0.831 nan 8.360 nan 0.000 0.467 1284 E N 1.230 121.437 120.200 0.012 0.000 2.209 1284 E HA -0.135 4.215 4.350 0.000 0.000 0.196 1284 E C 1.265 177.863 176.600 -0.002 0.000 0.993 1284 E CA 0.367 56.816 56.400 0.083 0.000 0.819 1284 E CB -0.094 29.772 29.700 0.277 0.000 0.745 1284 E HN 0.026 nan 8.360 nan 0.000 0.477 1285 N N 0.000 118.555 118.700 -0.242 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.816 53.050 -0.390 0.000 0.885 1285 N CB 0.000 37.981 38.487 -0.843 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667