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 3a0b_1_b DATA FIRST_RESID 5002 DATA SEQUENCE WYRVHTVLIN DPGRLIAAHL MHTALVAGWA GSMALYELAT FDPSDPVLNP DATA SEQUENCE MWRQGMFVLP FMARLGVTGS WSGWSITGET GIDPGFWSFE GVALAHIVLS DATA SEQUENCE GLLFLAACWH WVYWDLELFR DPRTGEPALD LPKMFGIHLF LAGLLCFGFG DATA SEQUENCE AFHLTGLFGP GMWVSDPYGL TGSVQPVAPE WGPDGFNPYN PGGVVAHHIA DATA SEQUENCE AGIVGIIAGL FHILVRPPQR LYKALRMGNI ETVLSSSIAA VFFAAFVVAG DATA SEQUENCE TMWYGSATTP IELFGPTRYQ WDSSYFQQEI NRRVQASLAS GATLEEAWSA DATA SEQUENCE IPEKLAFYDY IGNNPAKGGL FRTGPMNKGD GIAQAWKGHA VFRNKEGEEL DATA SEQUENCE FVRRMPAFFE SFPVILTDKN GVVKADIPFR RAESKYSFEQ QGVTVSFYGG DATA SEQUENCE ELNGQTFTDP PTVKSYARKA IFGEIFEFDT ETLNSDGIFR TSPRGWFTFA DATA SEQUENCE HAVFALLFFF GHIWHGARTL FRDVFSGIDP ELSPE 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 5002 W HA 0.000 nan 4.660 nan 0.000 0.303 5002 W C 0.000 176.720 176.519 0.335 0.000 1.175 5002 W CA 0.000 57.451 57.345 0.177 0.000 1.226 5002 W CB 0.000 29.462 29.460 0.004 0.000 1.126 5003 Y N 2.212 120.909 120.300 -2.671 0.000 2.588 5003 Y HA 0.132 4.685 4.550 0.005 0.000 0.279 5003 Y C 1.635 177.026 175.900 -0.848 0.000 1.171 5003 Y CA 1.580 58.398 58.100 -2.137 0.000 1.425 5003 Y CB -0.677 36.915 38.460 -1.447 0.000 0.960 5003 Y HN -0.055 nan 8.280 nan 0.000 0.585 5004 R N -0.681 119.443 120.500 -0.627 0.000 2.496 5004 R HA 0.128 4.470 4.340 0.004 0.000 0.369 5004 R C 1.040 177.193 176.300 -0.245 0.000 0.896 5004 R CA 0.212 56.011 56.100 -0.500 0.000 1.147 5004 R CB 0.278 30.123 30.300 -0.759 0.000 1.697 5004 R HN 0.264 nan 8.270 nan 0.000 0.518 5005 V N 0.658 120.464 119.914 -0.179 0.000 3.241 5005 V HA -0.140 3.983 4.120 0.004 0.000 0.269 5005 V C 0.796 176.838 176.094 -0.087 0.000 1.151 5005 V CA 1.721 63.953 62.300 -0.113 0.000 1.158 5005 V CB -0.540 31.218 31.823 -0.108 0.000 0.764 5005 V HN 0.353 nan 8.190 nan 0.000 0.508 5006 H N -1.621 117.431 119.070 -0.031 0.000 2.469 5006 H HA 0.169 4.728 4.556 0.005 0.000 0.286 5006 H C 1.489 176.795 175.328 -0.036 0.000 1.106 5006 H CA 0.311 56.354 56.048 -0.009 0.000 1.055 5006 H CB 0.558 30.326 29.762 0.010 0.000 1.618 5006 H HN 0.356 nan 8.280 nan 0.000 0.559 5007 T N -0.573 114.007 114.554 0.043 0.000 3.040 5007 T HA -0.083 4.270 4.350 0.004 0.000 0.252 5007 T C 2.239 176.929 174.700 -0.016 0.000 1.064 5007 T CA 0.701 62.790 62.100 -0.020 0.000 1.110 5007 T CB 0.022 68.842 68.868 -0.080 0.000 0.921 5007 T HN 0.334 nan 8.240 nan 0.000 0.480 5008 V N 0.522 120.439 119.914 0.005 0.000 3.207 5008 V HA -0.009 4.114 4.120 0.004 0.000 0.273 5008 V C 1.505 177.594 176.094 -0.007 0.000 1.182 5008 V CA 1.489 63.789 62.300 -0.000 0.000 1.186 5008 V CB -1.318 30.518 31.823 0.023 0.000 0.801 5008 V HN 0.479 nan 8.190 nan 0.000 0.548 5009 L N -0.463 120.757 121.223 -0.005 0.000 2.693 5009 L HA 0.292 4.635 4.340 0.004 0.000 0.235 5009 L C 2.137 178.971 176.870 -0.060 0.000 1.127 5009 L CA 0.234 55.056 54.840 -0.029 0.000 0.914 5009 L CB 0.180 42.225 42.059 -0.023 0.000 1.193 5009 L HN 0.392 nan 8.230 nan 0.000 0.502 5010 I N -0.756 119.778 120.570 -0.061 0.000 2.315 5010 I HA -0.241 3.932 4.170 0.004 0.000 0.251 5010 I C 2.047 178.113 176.117 -0.084 0.000 1.125 5010 I CA 1.445 62.697 61.300 -0.080 0.000 1.392 5010 I CB -0.906 37.041 38.000 -0.088 0.000 1.065 5010 I HN 0.359 nan 8.210 nan 0.000 0.424 5011 N N 2.354 121.011 118.700 -0.071 0.000 2.400 5011 N HA -0.083 4.659 4.740 0.004 0.000 0.228 5011 N C 0.359 175.809 175.510 -0.101 0.000 1.023 5011 N CA 0.668 53.674 53.050 -0.073 0.000 1.150 5011 N CB -1.437 37.024 38.487 -0.044 0.000 1.452 5011 N HN 0.508 nan 8.380 nan 0.000 0.605 5012 D N 3.415 123.776 120.400 -0.065 0.000 2.376 5012 D HA 0.034 4.677 4.640 0.004 0.000 0.278 5012 D C -1.800 174.397 176.300 -0.172 0.000 1.384 5012 D CA -1.275 52.672 54.000 -0.088 0.000 1.033 5012 D CB 0.406 41.268 40.800 0.103 0.000 1.102 5012 D HN 0.274 nan 8.370 nan 0.000 0.530 5013 P HA -0.036 nan 4.420 nan 0.000 0.288 5013 P C 0.900 178.056 177.300 -0.240 0.000 1.448 5013 P CA 0.114 62.990 63.100 -0.373 0.000 0.764 5013 P CB 0.263 31.678 31.700 -0.476 0.000 1.472 5014 G N 1.908 110.725 108.800 0.028 0.000 2.655 5014 G HA2 -0.124 3.839 3.960 0.004 0.000 0.217 5014 G HA3 -0.124 3.839 3.960 0.004 0.000 0.217 5014 G C 1.335 176.415 174.900 0.300 0.000 1.279 5014 G CA -0.046 45.369 45.100 0.525 0.000 0.870 5014 G HN 0.145 nan 8.290 nan 0.000 0.560 5015 R N 0.504 121.082 120.500 0.130 0.000 2.346 5015 R HA 0.263 4.606 4.340 0.004 0.000 0.199 5015 R C 1.791 178.150 176.300 0.098 0.000 1.015 5015 R CA -0.023 56.124 56.100 0.078 0.000 1.058 5015 R CB -0.191 29.991 30.300 -0.197 0.000 0.921 5015 R HN 0.286 nan 8.270 nan 0.000 0.475 5016 L N -0.240 120.997 121.223 0.023 0.000 2.357 5016 L HA 0.193 4.535 4.340 0.004 0.000 0.211 5016 L C 1.487 178.228 176.870 -0.214 0.000 1.075 5016 L CA 1.280 56.052 54.840 -0.115 0.000 0.830 5016 L CB -0.120 41.839 42.059 -0.166 0.000 0.996 5016 L HN 0.176 nan 8.230 nan 0.000 0.467 5017 I N 0.520 121.048 120.570 -0.069 0.000 2.439 5017 I HA -0.184 3.988 4.170 0.004 0.000 0.251 5017 I C 2.645 178.735 176.117 -0.045 0.000 1.139 5017 I CA 0.929 62.178 61.300 -0.084 0.000 1.438 5017 I CB -0.349 37.644 38.000 -0.012 0.000 1.085 5017 I HN 0.240 nan 8.210 nan 0.000 0.427 5018 A N 0.910 123.768 122.820 0.064 0.000 1.930 5018 A HA -0.091 4.231 4.320 0.004 0.000 0.217 5018 A C 2.578 180.217 177.584 0.091 0.000 1.175 5018 A CA 1.580 53.689 52.037 0.121 0.000 0.627 5018 A CB -0.643 18.501 19.000 0.240 0.000 0.815 5018 A HN 0.397 nan 8.150 nan 0.000 0.443 5019 A N -0.371 122.492 122.820 0.072 0.000 1.865 5019 A HA -0.235 4.088 4.320 0.004 0.000 0.217 5019 A C 1.973 179.663 177.584 0.176 0.000 1.191 5019 A CA 1.760 53.850 52.037 0.089 0.000 0.623 5019 A CB -1.196 17.829 19.000 0.043 0.000 0.826 5019 A HN 0.756 nan 8.150 nan 0.000 0.444 5020 H N -1.149 117.921 119.070 0.000 0.000 2.353 5020 H HA -0.043 4.516 4.556 0.004 0.000 0.300 5020 H C 2.069 177.412 175.328 0.025 0.000 1.090 5020 H CA 1.032 57.070 56.048 -0.018 0.000 1.327 5020 H CB -0.127 29.607 29.762 -0.046 0.000 1.383 5020 H HN 0.384 nan 8.280 nan 0.000 0.508 5021 L N 0.340 121.651 121.223 0.147 0.000 2.261 5021 L HA -0.197 4.146 4.340 0.004 0.000 0.216 5021 L C 2.075 179.005 176.870 0.099 0.000 1.114 5021 L CA 0.585 55.478 54.840 0.089 0.000 0.777 5021 L CB 0.004 42.088 42.059 0.043 0.000 0.910 5021 L HN 0.377 nan 8.230 nan 0.000 0.440 5022 M N -1.794 117.872 119.600 0.110 0.000 2.553 5022 M HA -0.112 4.371 4.480 0.004 0.000 0.255 5022 M C 2.207 178.589 176.300 0.136 0.000 1.181 5022 M CA 1.114 56.470 55.300 0.094 0.000 1.210 5022 M CB -1.194 31.433 32.600 0.045 0.000 1.280 5022 M HN 0.311 nan 8.290 nan 0.000 0.495 5023 H N 0.588 119.681 119.070 0.037 0.000 2.297 5023 H HA -0.148 4.411 4.556 0.004 0.000 0.289 5023 H C 0.123 175.465 175.328 0.024 0.000 1.105 5023 H CA 2.019 58.075 56.048 0.014 0.000 1.219 5023 H CB -0.436 29.315 29.762 -0.019 0.000 1.351 5023 H HN 0.194 nan 8.280 nan 0.000 0.481 5024 T N 0.844 115.562 114.554 0.275 0.000 3.953 5024 T HA 0.397 4.749 4.350 0.004 0.000 0.236 5024 T C 0.822 175.602 174.700 0.132 0.000 0.861 5024 T CA 0.451 62.666 62.100 0.193 0.000 0.909 5024 T CB -0.452 68.505 68.868 0.148 0.000 1.240 5024 T HN 0.579 nan 8.240 nan 0.000 0.683 5025 A N -0.029 122.864 122.820 0.120 0.000 2.004 5025 A HA 0.321 4.644 4.320 0.004 0.000 0.175 5025 A C 1.536 179.199 177.584 0.133 0.000 1.902 5025 A CA -0.273 51.848 52.037 0.140 0.000 1.457 5025 A CB -0.143 18.962 19.000 0.175 0.000 1.593 5025 A HN 0.459 nan 8.150 nan 0.000 0.363 5026 L N 0.429 121.704 121.223 0.088 0.000 2.217 5026 L HA -0.068 4.275 4.340 0.004 0.000 0.211 5026 L C 2.290 179.195 176.870 0.059 0.000 1.107 5026 L CA 1.099 55.976 54.840 0.062 0.000 0.783 5026 L CB -0.280 41.768 42.059 -0.019 0.000 0.919 5026 L HN 0.289 nan 8.230 nan 0.000 0.442 5027 V N 0.083 120.001 119.914 0.007 0.000 2.255 5027 V HA -0.207 3.915 4.120 0.004 0.000 0.243 5027 V C 2.686 178.891 176.094 0.184 0.000 1.038 5027 V CA 1.819 64.134 62.300 0.025 0.000 1.008 5027 V CB -0.890 30.933 31.823 0.000 0.000 0.645 5027 V HN 0.439 nan 8.190 nan 0.000 0.449 5028 A N 0.529 123.459 122.820 0.184 0.000 2.070 5028 A HA -0.026 4.297 4.320 0.004 0.000 0.220 5028 A C 2.295 180.016 177.584 0.227 0.000 1.159 5028 A CA 1.626 53.814 52.037 0.252 0.000 0.656 5028 A CB -1.026 18.107 19.000 0.222 0.000 0.800 5028 A HN 0.562 nan 8.150 nan 0.000 0.453 5029 G N -1.902 107.013 108.800 0.191 0.000 2.443 5029 G HA2 -0.228 3.735 3.960 0.004 0.000 0.219 5029 G HA3 -0.228 3.735 3.960 0.004 0.000 0.219 5029 G C 1.347 176.343 174.900 0.160 0.000 1.131 5029 G CA 0.930 46.124 45.100 0.157 0.000 0.775 5029 G HN 0.731 nan 8.290 nan 0.000 0.547 5030 W N 1.297 122.606 121.300 0.015 0.000 2.576 5030 W HA 0.385 5.048 4.660 0.004 0.000 0.275 5030 W C 2.487 179.005 176.519 -0.001 0.000 1.241 5030 W CA 0.963 58.307 57.345 -0.001 0.000 1.328 5030 W CB 0.142 29.586 29.460 -0.026 0.000 1.092 5030 W HN 0.248 nan 8.180 nan 0.000 0.586 5031 A N 1.333 124.354 122.820 0.335 0.000 1.885 5031 A HA -0.243 4.079 4.320 0.004 0.000 0.215 5031 A C 2.208 179.718 177.584 -0.123 0.000 1.255 5031 A CA 2.715 54.834 52.037 0.137 0.000 0.692 5031 A CB -1.780 17.264 19.000 0.074 0.000 0.842 5031 A HN 0.444 nan 8.150 nan 0.000 0.465 5032 G N -1.970 106.801 108.800 -0.048 0.000 2.422 5032 G HA2 -0.079 3.884 3.960 0.004 0.000 0.218 5032 G HA3 -0.079 3.884 3.960 0.004 0.000 0.218 5032 G C 1.841 176.677 174.900 -0.107 0.000 1.140 5032 G CA 1.396 46.462 45.100 -0.057 0.000 0.775 5032 G HN 0.525 nan 8.290 nan 0.000 0.545 5033 S N -0.173 115.441 115.700 -0.143 0.000 2.368 5033 S HA -0.135 4.338 4.470 0.004 0.000 0.225 5033 S C 2.256 176.683 174.600 -0.289 0.000 1.030 5033 S CA 1.788 59.882 58.200 -0.177 0.000 0.999 5033 S CB -0.188 62.913 63.200 -0.165 0.000 0.844 5033 S HN 0.430 nan 8.310 nan 0.000 0.459 5034 M N 1.400 120.641 119.600 -0.599 0.000 2.193 5034 M HA 0.238 4.721 4.480 0.004 0.000 0.265 5034 M C 1.887 178.043 176.300 -0.241 0.000 1.071 5034 M CA 1.561 56.496 55.300 -0.609 0.000 1.140 5034 M CB -0.672 31.069 32.600 -1.432 0.000 1.369 5034 M HN 0.181 nan 8.290 nan 0.000 0.423 5035 A N 0.782 123.445 122.820 -0.262 0.000 1.908 5035 A HA -0.114 4.208 4.320 0.004 0.000 0.218 5035 A C 2.176 179.743 177.584 -0.029 0.000 1.181 5035 A CA 1.804 53.780 52.037 -0.102 0.000 0.627 5035 A CB -1.193 17.744 19.000 -0.105 0.000 0.818 5035 A HN 0.595 nan 8.150 nan 0.000 0.445 5036 L N -2.062 119.142 121.223 -0.031 0.000 1.933 5036 L HA -0.276 4.067 4.340 0.004 0.000 0.220 5036 L C 2.506 179.410 176.870 0.055 0.000 1.078 5036 L CA 2.460 57.311 54.840 0.018 0.000 0.773 5036 L CB -0.943 41.131 42.059 0.024 0.000 0.890 5036 L HN 0.590 nan 8.230 nan 0.000 0.434 5037 Y N 1.158 121.418 120.300 -0.067 0.000 2.003 5037 Y HA -0.415 4.137 4.550 0.005 0.000 0.261 5037 Y C 2.635 178.533 175.900 -0.002 0.000 1.211 5037 Y CA 2.245 60.318 58.100 -0.044 0.000 1.098 5037 Y CB -0.619 37.790 38.460 -0.085 0.000 0.925 5037 Y HN 0.274 nan 8.280 nan 0.000 0.498 5038 E N -0.439 119.703 120.200 -0.096 0.000 2.086 5038 E HA -0.299 4.053 4.350 0.004 0.000 0.205 5038 E C 2.175 178.736 176.600 -0.065 0.000 1.027 5038 E CA 1.773 58.102 56.400 -0.118 0.000 0.830 5038 E CB -0.758 28.954 29.700 0.018 0.000 0.751 5038 E HN 0.455 nan 8.360 nan 0.000 0.456 5039 L N 1.077 122.296 121.223 -0.007 0.000 1.970 5039 L HA -0.111 4.232 4.340 0.004 0.000 0.212 5039 L C 2.245 179.139 176.870 0.039 0.000 1.071 5039 L CA 2.069 56.936 54.840 0.045 0.000 0.751 5039 L CB -0.962 41.117 42.059 0.032 0.000 0.889 5039 L HN 0.073 nan 8.230 nan 0.000 0.432 5040 A N -2.510 120.307 122.820 -0.006 0.000 2.292 5040 A HA -0.079 4.244 4.320 0.004 0.000 0.209 5040 A C 1.340 178.876 177.584 -0.079 0.000 1.209 5040 A CA 1.777 53.807 52.037 -0.012 0.000 0.746 5040 A CB -0.789 18.225 19.000 0.022 0.000 0.764 5040 A HN 0.569 nan 8.150 nan 0.000 0.492 5041 T N -2.465 112.019 114.554 -0.117 0.000 3.412 5041 T HA 0.175 4.528 4.350 0.004 0.000 0.305 5041 T C -0.190 174.447 174.700 -0.104 0.000 0.892 5041 T CA -0.517 61.489 62.100 -0.157 0.000 0.936 5041 T CB -0.289 68.394 68.868 -0.308 0.000 1.202 5041 T HN 0.381 nan 8.240 nan 0.000 0.621 5042 F N 3.617 123.474 119.950 -0.154 0.000 2.404 5042 F HA 0.542 5.072 4.527 0.004 0.000 0.359 5042 F C -0.071 175.587 175.800 -0.237 0.000 1.134 5042 F CA -1.214 56.691 58.000 -0.159 0.000 1.160 5042 F CB 0.348 39.286 39.000 -0.104 0.000 1.186 5042 F HN -0.117 nan 8.300 nan 0.000 0.526 5043 D N 9.087 128.878 120.400 -1.015 0.000 2.346 5043 D HA 0.122 4.764 4.640 0.004 0.000 0.260 5043 D C -1.637 173.670 176.300 -1.655 0.000 1.252 5043 D CA -2.013 51.401 54.000 -0.977 0.000 0.895 5043 D CB 1.259 41.696 40.800 -0.604 0.000 1.097 5043 D HN 0.309 nan 8.370 nan 0.000 0.489 5044 P HA -0.117 nan 4.420 nan 0.000 0.220 5044 P C 1.328 178.217 177.300 -0.684 0.000 1.154 5044 P CA 0.615 62.959 63.100 -1.259 0.000 0.830 5044 P CB -0.018 30.460 31.700 -2.036 0.000 0.803 5045 S N -0.553 114.797 115.700 -0.583 0.000 2.508 5045 S HA -0.233 4.240 4.470 0.004 0.000 0.276 5045 S C 0.821 175.279 174.600 -0.238 0.000 1.154 5045 S CA 1.846 59.841 58.200 -0.342 0.000 1.079 5045 S CB -1.363 61.661 63.200 -0.294 0.000 0.922 5045 S HN 0.342 nan 8.310 nan 0.000 0.469 5046 D N 0.311 120.556 120.400 -0.258 0.000 2.964 5046 D HA 0.320 4.962 4.640 0.004 0.000 0.234 5046 D C -2.779 173.448 176.300 -0.122 0.000 1.223 5046 D CA -1.649 52.251 54.000 -0.168 0.000 0.889 5046 D CB 2.428 43.115 40.800 -0.188 0.000 1.609 5046 D HN 0.076 nan 8.370 nan 0.000 0.523 5047 P HA 0.124 nan 4.420 nan 0.000 0.282 5047 P C 1.049 178.381 177.300 0.053 0.000 1.327 5047 P CA -0.066 63.071 63.100 0.061 0.000 0.949 5047 P CB 1.491 33.281 31.700 0.150 0.000 1.445 5048 V N -0.025 119.878 119.914 -0.020 0.000 2.599 5048 V HA 0.072 4.195 4.120 0.004 0.000 0.245 5048 V C 2.087 178.078 176.094 -0.171 0.000 1.046 5048 V CA 1.374 63.657 62.300 -0.028 0.000 1.065 5048 V CB -0.251 31.548 31.823 -0.039 0.000 0.703 5048 V HN 0.005 nan 8.190 nan 0.000 0.464 5049 L N -0.995 120.018 121.223 -0.350 0.000 2.966 5049 L HA 0.366 4.708 4.340 0.004 0.000 0.262 5049 L C 0.551 177.059 176.870 -0.604 0.000 1.165 5049 L CA 0.224 54.594 54.840 -0.783 0.000 0.978 5049 L CB 0.485 42.086 42.059 -0.763 0.000 1.337 5049 L HN 0.287 nan 8.230 nan 0.000 0.563 5050 N N 0.694 119.167 118.700 -0.379 0.000 2.664 5050 N HA 0.175 4.918 4.740 0.004 0.000 0.287 5050 N C -2.718 172.625 175.510 -0.278 0.000 1.869 5050 N CA -1.240 51.603 53.050 -0.345 0.000 0.832 5050 N CB 1.229 39.521 38.487 -0.325 0.000 1.293 5050 N HN -0.106 nan 8.380 nan 0.000 0.498 5051 P HA 0.046 nan 4.420 nan 0.000 0.274 5051 P C 1.340 178.553 177.300 -0.145 0.000 1.231 5051 P CA -0.377 62.625 63.100 -0.163 0.000 0.790 5051 P CB 0.871 32.483 31.700 -0.148 0.000 0.951 5052 M N 1.714 121.452 119.600 0.230 0.000 2.164 5052 M HA -0.208 4.275 4.480 0.004 0.000 0.251 5052 M C 1.738 178.124 176.300 0.144 0.000 1.087 5052 M CA 2.371 57.821 55.300 0.249 0.000 1.071 5052 M CB -1.506 31.033 32.600 -0.101 0.000 1.347 5052 M HN 0.445 nan 8.290 nan 0.000 0.399 5053 W N 0.264 121.647 121.300 0.138 0.000 2.467 5053 W HA 0.051 4.714 4.660 0.004 0.000 0.275 5053 W C 1.771 178.372 176.519 0.136 0.000 1.239 5053 W CA 0.361 57.776 57.345 0.118 0.000 1.266 5053 W CB -1.031 28.471 29.460 0.070 0.000 1.112 5053 W HN 0.209 nan 8.180 nan 0.000 0.576 5054 R N 1.685 121.856 120.500 -0.548 0.000 2.096 5054 R HA -0.152 4.191 4.340 0.004 0.000 0.229 5054 R C 1.295 177.585 176.300 -0.017 0.000 1.134 5054 R CA 1.917 57.780 56.100 -0.394 0.000 0.917 5054 R CB -1.208 28.769 30.300 -0.538 0.000 0.832 5054 R HN 0.494 nan 8.270 nan 0.000 0.430 5055 Q N 1.068 120.849 119.800 -0.032 0.000 2.431 5055 Q HA 0.294 4.637 4.340 0.004 0.000 0.234 5055 Q C -0.035 176.034 176.000 0.114 0.000 1.203 5055 Q CA 0.063 55.889 55.803 0.037 0.000 0.902 5055 Q CB 0.194 28.916 28.738 -0.027 0.000 1.455 5055 Q HN 0.262 nan 8.270 nan 0.000 0.515 5056 G N 4.866 113.762 108.800 0.160 0.000 2.900 5056 G HA2 -0.127 3.836 3.960 0.004 0.000 0.335 5056 G HA3 -0.127 3.836 3.960 0.004 0.000 0.335 5056 G C -0.357 174.655 174.900 0.187 0.000 0.194 5056 G CA -0.021 45.194 45.100 0.191 0.000 1.227 5056 G HN 0.630 nan 8.290 nan 0.000 0.354 5057 M N 3.312 123.054 119.600 0.237 0.000 2.090 5057 M HA 0.316 4.799 4.480 0.004 0.000 0.277 5057 M C -0.094 176.372 176.300 0.276 0.000 0.935 5057 M CA -1.122 54.304 55.300 0.210 0.000 0.966 5057 M CB 1.513 34.208 32.600 0.158 0.000 1.635 5057 M HN 0.490 nan 8.290 nan 0.000 0.446 5058 F N 3.149 123.188 119.950 0.149 0.000 2.343 5058 F HA 0.135 4.665 4.527 0.005 0.000 0.286 5058 F C 1.417 177.414 175.800 0.328 0.000 1.057 5058 F CA 1.192 59.327 58.000 0.225 0.000 1.365 5058 F CB 0.435 39.590 39.000 0.258 0.000 1.114 5058 F HN 0.352 nan 8.300 nan 0.000 0.545 5059 V N 0.235 120.197 119.914 0.080 0.000 2.878 5059 V HA -0.112 4.010 4.120 0.004 0.000 0.250 5059 V C 2.157 178.305 176.094 0.091 0.000 1.075 5059 V CA 1.038 63.356 62.300 0.029 0.000 1.096 5059 V CB -0.236 31.594 31.823 0.012 0.000 0.724 5059 V HN 0.318 nan 8.190 nan 0.000 0.467 5060 L N 1.593 122.864 121.223 0.080 0.000 2.005 5060 L HA -0.024 4.319 4.340 0.004 0.000 0.207 5060 L C 0.287 177.193 176.870 0.061 0.000 1.072 5060 L CA 2.172 57.075 54.840 0.104 0.000 0.744 5060 L CB -1.219 40.867 42.059 0.044 0.000 0.895 5060 L HN 0.257 nan 8.230 nan 0.000 0.433 5061 P HA -0.255 nan 4.420 nan 0.000 0.217 5061 P C 1.598 178.823 177.300 -0.126 0.000 1.151 5061 P CA 1.884 64.915 63.100 -0.114 0.000 0.849 5061 P CB -0.280 31.257 31.700 -0.271 0.000 0.787 5062 F N -0.600 119.287 119.950 -0.105 0.000 2.216 5062 F HA -0.097 4.432 4.527 0.004 0.000 0.300 5062 F C 2.833 178.606 175.800 -0.044 0.000 1.085 5062 F CA 1.200 59.158 58.000 -0.070 0.000 1.326 5062 F CB -1.038 37.856 39.000 -0.175 0.000 1.027 5062 F HN -0.205 nan 8.300 nan 0.000 0.497 5063 M N -0.239 119.404 119.600 0.071 0.000 2.074 5063 M HA -0.164 4.319 4.480 0.004 0.000 0.259 5063 M C 2.707 178.979 176.300 -0.047 0.000 1.079 5063 M CA 1.661 56.920 55.300 -0.068 0.000 1.119 5063 M CB -1.247 31.200 32.600 -0.255 0.000 1.297 5063 M HN 0.150 nan 8.290 nan 0.000 0.416 5064 A N 1.902 124.704 122.820 -0.030 0.000 1.900 5064 A HA -0.333 3.989 4.320 0.004 0.000 0.225 5064 A C 2.140 179.868 177.584 0.241 0.000 1.414 5064 A CA 3.432 55.545 52.037 0.127 0.000 0.702 5064 A CB -1.463 17.643 19.000 0.176 0.000 0.845 5064 A HN 0.665 nan 8.150 nan 0.000 0.478 5065 R N -0.331 120.289 120.500 0.200 0.000 2.133 5065 R HA -0.164 4.179 4.340 0.004 0.000 0.245 5065 R C 1.894 178.313 176.300 0.198 0.000 1.137 5065 R CA 2.256 58.503 56.100 0.246 0.000 0.947 5065 R CB -0.908 29.476 30.300 0.140 0.000 0.865 5065 R HN 0.488 nan 8.270 nan 0.000 0.437 5066 L N -0.144 121.172 121.223 0.155 0.000 2.552 5066 L HA 0.128 4.470 4.340 0.004 0.000 0.227 5066 L C 1.596 178.528 176.870 0.104 0.000 1.146 5066 L CA 0.824 55.768 54.840 0.172 0.000 0.858 5066 L CB 0.255 42.420 42.059 0.178 0.000 0.969 5066 L HN 0.845 nan 8.230 nan 0.000 0.451 5067 G N -1.040 107.775 108.800 0.026 0.000 3.898 5067 G HA2 -0.231 3.732 3.960 0.004 0.000 0.196 5067 G HA3 -0.231 3.732 3.960 0.004 0.000 0.196 5067 G C 0.119 174.958 174.900 -0.102 0.000 1.322 5067 G CA -0.019 45.051 45.100 -0.049 0.000 0.942 5067 G HN -0.074 nan 8.290 nan 0.000 0.400 5068 V N 4.113 123.915 119.914 -0.187 0.000 2.393 5068 V HA 0.485 4.607 4.120 0.004 0.000 0.257 5068 V C 1.327 177.093 176.094 -0.547 0.000 1.040 5068 V CA 2.064 64.157 62.300 -0.344 0.000 1.097 5068 V CB 0.408 31.965 31.823 -0.444 0.000 1.101 5068 V HN 1.046 nan 8.190 nan 0.000 0.479 5069 T N 2.188 116.566 114.554 -0.293 0.000 3.145 5069 T HA 0.433 4.786 4.350 0.004 0.000 0.281 5069 T C 0.510 175.319 174.700 0.182 0.000 1.003 5069 T CA 0.281 62.345 62.100 -0.059 0.000 0.901 5069 T CB 0.310 69.262 68.868 0.140 0.000 1.112 5069 T HN 0.863 nan 8.240 nan 0.000 0.535 5070 G N 1.036 109.849 108.800 0.021 0.000 2.453 5070 G HA2 0.604 4.566 3.960 0.004 0.000 0.323 5070 G HA3 0.604 4.566 3.960 0.004 0.000 0.323 5070 G C -0.814 174.120 174.900 0.057 0.000 1.198 5070 G CA -0.697 44.442 45.100 0.065 0.000 0.959 5070 G HN 0.572 nan 8.290 nan 0.000 0.482 5071 S N -0.130 115.446 115.700 -0.207 0.000 2.570 5071 S HA 0.380 4.853 4.470 0.004 0.000 0.286 5071 S C -0.062 174.443 174.600 -0.158 0.000 1.099 5071 S CA -0.828 57.166 58.200 -0.342 0.000 0.913 5071 S CB 1.430 64.088 63.200 -0.904 0.000 1.085 5071 S HN 0.593 nan 8.310 nan 0.000 0.480 5072 W N 1.608 122.856 121.300 -0.088 0.000 2.848 5072 W HA 0.091 4.754 4.660 0.005 0.000 0.241 5072 W C 1.796 178.300 176.519 -0.024 0.000 1.289 5072 W CA -0.019 57.306 57.345 -0.034 0.000 1.396 5072 W CB -1.712 27.753 29.460 0.009 0.000 1.138 5072 W HN 0.731 nan 8.180 nan 0.000 0.677 5073 S N -0.354 115.407 115.700 0.102 0.000 2.383 5073 S HA 0.091 4.564 4.470 0.004 0.000 0.227 5073 S C 2.003 176.721 174.600 0.197 0.000 1.026 5073 S CA 1.617 59.924 58.200 0.179 0.000 0.981 5073 S CB -0.143 63.249 63.200 0.320 0.000 0.818 5073 S HN 0.435 nan 8.310 nan 0.000 0.472 5074 G N 0.139 109.006 108.800 0.112 0.000 2.421 5074 G HA2 -0.133 3.830 3.960 0.004 0.000 0.188 5074 G HA3 -0.133 3.830 3.960 0.004 0.000 0.188 5074 G C 0.095 175.110 174.900 0.191 0.000 1.001 5074 G CA -0.190 45.002 45.100 0.153 0.000 0.693 5074 G HN 0.438 nan 8.290 nan 0.000 0.479 5075 W N 1.741 123.101 121.300 0.100 0.000 2.181 5075 W HA 0.810 5.472 4.660 0.004 0.000 0.415 5075 W C 0.199 176.797 176.519 0.131 0.000 1.689 5075 W CA -0.138 57.265 57.345 0.097 0.000 1.859 5075 W CB 0.251 29.757 29.460 0.076 0.000 1.425 5075 W HN 0.799 nan 8.180 nan 0.000 0.713 5076 S N -0.412 115.615 115.700 0.545 0.000 2.536 5076 S HA 0.278 4.751 4.470 0.004 0.000 0.271 5076 S C -0.283 174.690 174.600 0.622 0.000 1.134 5076 S CA -0.732 57.708 58.200 0.400 0.000 0.897 5076 S CB 1.988 65.339 63.200 0.253 0.000 1.094 5076 S HN 0.561 nan 8.310 nan 0.000 0.473 5077 I N 2.255 123.178 120.570 0.588 0.000 3.164 5077 I HA -0.020 4.152 4.170 0.004 0.000 0.278 5077 I C 1.501 177.879 176.117 0.436 0.000 1.320 5077 I CA 1.470 63.105 61.300 0.559 0.000 1.422 5077 I CB -0.947 37.354 38.000 0.501 0.000 1.066 5077 I HN 0.844 nan 8.210 nan 0.000 0.503 5078 T N -0.521 114.246 114.554 0.355 0.000 2.739 5078 T HA 0.329 4.681 4.350 0.004 0.000 0.249 5078 T C 1.522 176.354 174.700 0.219 0.000 1.050 5078 T CA 0.912 63.166 62.100 0.256 0.000 1.165 5078 T CB -0.398 68.563 68.868 0.156 0.000 0.872 5078 T HN 0.428 nan 8.240 nan 0.000 0.411 5079 G N 0.528 109.449 108.800 0.201 0.000 3.609 5079 G HA2 -0.023 3.940 3.960 0.004 0.000 0.219 5079 G HA3 -0.023 3.940 3.960 0.004 0.000 0.219 5079 G C -0.218 174.764 174.900 0.137 0.000 0.951 5079 G CA -0.509 44.682 45.100 0.152 0.000 0.867 5079 G HN 0.494 nan 8.290 nan 0.000 0.478 5080 E N 0.896 121.177 120.200 0.136 0.000 2.438 5080 E HA 0.375 4.727 4.350 0.004 0.000 0.261 5080 E C 1.240 177.926 176.600 0.143 0.000 1.103 5080 E CA 0.902 57.371 56.400 0.116 0.000 0.959 5080 E CB 0.584 30.344 29.700 0.100 0.000 0.958 5080 E HN 0.368 nan 8.360 nan 0.000 0.447 5081 T N -2.668 111.956 114.554 0.117 0.000 2.966 5081 T HA 0.165 4.518 4.350 0.004 0.000 0.254 5081 T C 1.259 176.023 174.700 0.106 0.000 0.961 5081 T CA -0.001 62.176 62.100 0.128 0.000 0.915 5081 T CB 0.315 69.247 68.868 0.107 0.000 1.186 5081 T HN 0.478 nan 8.240 nan 0.000 0.505 5082 G N 2.521 111.371 108.800 0.083 0.000 3.639 5082 G HA2 0.586 4.548 3.960 0.004 0.000 0.279 5082 G HA3 0.586 4.548 3.960 0.004 0.000 0.279 5082 G C 0.134 175.074 174.900 0.067 0.000 1.312 5082 G CA -0.534 44.608 45.100 0.069 0.000 1.355 5082 G HN 0.824 nan 8.290 nan 0.000 0.595 5083 I N -3.384 117.234 120.570 0.079 0.000 3.467 5083 I HA 0.823 4.995 4.170 0.004 0.000 0.314 5083 I C -1.978 174.189 176.117 0.083 0.000 1.177 5083 I CA -1.356 59.988 61.300 0.073 0.000 0.943 5083 I CB 2.907 40.946 38.000 0.066 0.000 1.338 5083 I HN 0.054 nan 8.210 nan 0.000 0.482 5084 D N 0.508 120.958 120.400 0.083 0.000 2.342 5084 D HA 0.165 4.808 4.640 0.004 0.000 0.154 5084 D C -2.874 173.499 176.300 0.121 0.000 1.159 5084 D CA -0.565 53.498 54.000 0.105 0.000 1.206 5084 D CB -0.131 40.744 40.800 0.123 0.000 1.872 5084 D HN 0.580 nan 8.370 nan 0.000 0.617 5085 P HA 0.266 nan 4.420 nan 0.000 0.271 5085 P C 1.029 178.450 177.300 0.202 0.000 1.233 5085 P CA 0.041 63.221 63.100 0.133 0.000 0.795 5085 P CB 0.490 32.255 31.700 0.109 0.000 0.936 5086 G N -0.276 108.641 108.800 0.196 0.000 2.711 5086 G HA2 -0.108 3.854 3.960 0.004 0.000 0.186 5086 G HA3 -0.108 3.854 3.960 0.004 0.000 0.186 5086 G C 0.533 175.637 174.900 0.340 0.000 1.635 5086 G CA -0.218 45.005 45.100 0.205 0.000 1.065 5086 G HN 0.494 nan 8.290 nan 0.000 0.545 5087 F N -0.274 119.664 119.950 -0.021 0.000 2.481 5087 F HA 0.019 4.549 4.527 0.005 0.000 0.297 5087 F C 0.662 176.320 175.800 -0.236 0.000 1.095 5087 F CA -0.326 57.623 58.000 -0.084 0.000 1.465 5087 F CB -0.214 38.476 39.000 -0.516 0.000 1.098 5087 F HN 0.250 nan 8.300 nan 0.000 0.585 5088 W N 1.986 123.333 121.300 0.080 0.000 1.928 5088 W HA 0.359 5.022 4.660 0.004 0.000 0.341 5088 W C 0.152 176.544 176.519 -0.212 0.000 0.789 5088 W CA -0.565 56.670 57.345 -0.182 0.000 1.680 5088 W CB -0.009 29.370 29.460 -0.134 0.000 1.882 5088 W HN -0.041 nan 8.180 nan 0.000 0.315 5089 S N -1.200 114.428 115.700 -0.119 0.000 2.677 5089 S HA 0.446 4.919 4.470 0.004 0.000 0.304 5089 S C 0.567 174.932 174.600 -0.391 0.000 1.108 5089 S CA -0.822 57.191 58.200 -0.311 0.000 0.944 5089 S CB 0.872 63.714 63.200 -0.598 0.000 1.127 5089 S HN 0.245 nan 8.310 nan 0.000 0.511 5090 F N 1.508 121.213 119.950 -0.408 0.000 2.176 5090 F HA -0.217 4.313 4.527 0.004 0.000 0.301 5090 F C 2.566 178.129 175.800 -0.394 0.000 1.071 5090 F CA 1.816 59.617 58.000 -0.331 0.000 1.289 5090 F CB -0.481 38.333 39.000 -0.310 0.000 1.028 5090 F HN 0.602 nan 8.300 nan 0.000 0.494 5091 E N 0.392 120.302 120.200 -0.483 0.000 1.996 5091 E HA -0.160 4.193 4.350 0.004 0.000 0.197 5091 E C 2.683 178.907 176.600 -0.627 0.000 1.002 5091 E CA 1.255 57.212 56.400 -0.738 0.000 0.840 5091 E CB -1.514 27.160 29.700 -1.710 0.000 0.786 5091 E HN 0.364 nan 8.360 nan 0.000 0.469 5092 G N 1.835 110.052 108.800 -0.972 0.000 2.597 5092 G HA2 -0.317 3.645 3.960 0.004 0.000 0.222 5092 G HA3 -0.317 3.645 3.960 0.004 0.000 0.222 5092 G C 1.878 176.679 174.900 -0.165 0.000 1.135 5092 G CA 1.973 46.768 45.100 -0.508 0.000 0.759 5092 G HN 0.180 nan 8.290 nan 0.000 0.595 5093 V N 1.460 121.343 119.914 -0.051 0.000 2.282 5093 V HA -0.179 3.944 4.120 0.004 0.000 0.249 5093 V C 3.259 179.413 176.094 0.100 0.000 1.057 5093 V CA 2.262 64.605 62.300 0.072 0.000 1.032 5093 V CB -1.155 30.611 31.823 -0.096 0.000 0.645 5093 V HN 0.575 nan 8.190 nan 0.000 0.447 5094 A N 0.205 123.025 122.820 -0.000 0.000 1.821 5094 A HA -0.175 4.148 4.320 0.004 0.000 0.215 5094 A C 2.178 179.831 177.584 0.114 0.000 1.214 5094 A CA 2.019 54.071 52.037 0.025 0.000 0.608 5094 A CB -0.892 18.103 19.000 -0.009 0.000 0.862 5094 A HN 0.436 nan 8.150 nan 0.000 0.448 5095 L N -0.099 121.193 121.223 0.114 0.000 1.997 5095 L HA -0.290 4.053 4.340 0.004 0.000 0.227 5095 L C 2.564 179.576 176.870 0.237 0.000 1.087 5095 L CA 3.013 57.970 54.840 0.194 0.000 0.797 5095 L CB -1.131 41.108 42.059 0.300 0.000 0.902 5095 L HN 0.554 nan 8.230 nan 0.000 0.441 5096 A N -0.959 122.026 122.820 0.274 0.000 1.941 5096 A HA -0.435 3.887 4.320 0.004 0.000 0.220 5096 A C 2.063 179.771 177.584 0.208 0.000 1.407 5096 A CA 2.584 54.803 52.037 0.303 0.000 0.766 5096 A CB -1.713 17.501 19.000 0.357 0.000 0.838 5096 A HN 0.786 nan 8.150 nan 0.000 0.482 5097 H N -0.734 118.408 119.070 0.119 0.000 2.437 5097 H HA -0.166 4.392 4.556 0.005 0.000 0.296 5097 H C 1.914 177.299 175.328 0.095 0.000 1.121 5097 H CA 1.769 57.872 56.048 0.091 0.000 1.255 5097 H CB -0.303 29.498 29.762 0.064 0.000 1.366 5097 H HN 0.396 nan 8.280 nan 0.000 0.512 5098 I N -0.462 120.233 120.570 0.208 0.000 2.113 5098 I HA -0.227 3.946 4.170 0.004 0.000 0.238 5098 I C 2.644 178.832 176.117 0.117 0.000 1.070 5098 I CA 1.110 62.495 61.300 0.142 0.000 1.332 5098 I CB -1.218 36.853 38.000 0.117 0.000 1.044 5098 I HN 0.271 nan 8.210 nan 0.000 0.402 5099 V N 1.613 121.603 119.914 0.126 0.000 2.282 5099 V HA -0.257 3.866 4.120 0.004 0.000 0.249 5099 V C 2.511 178.660 176.094 0.093 0.000 1.057 5099 V CA 1.834 64.195 62.300 0.102 0.000 1.032 5099 V CB -0.570 31.324 31.823 0.119 0.000 0.645 5099 V HN 0.406 nan 8.190 nan 0.000 0.447 5100 L N 0.385 121.665 121.223 0.095 0.000 2.021 5100 L HA -0.195 4.148 4.340 0.004 0.000 0.215 5100 L C 2.600 179.531 176.870 0.102 0.000 1.074 5100 L CA 2.916 57.802 54.840 0.077 0.000 0.760 5100 L CB -1.558 40.519 42.059 0.030 0.000 0.889 5100 L HN 0.651 nan 8.230 nan 0.000 0.433 5101 S N -0.147 115.623 115.700 0.116 0.000 2.427 5101 S HA -0.237 4.236 4.470 0.004 0.000 0.231 5101 S C 2.029 176.727 174.600 0.163 0.000 1.045 5101 S CA 2.308 60.590 58.200 0.136 0.000 1.154 5101 S CB -0.958 62.314 63.200 0.120 0.000 1.093 5101 S HN 0.682 nan 8.310 nan 0.000 0.422 5102 G N 2.343 111.206 108.800 0.105 0.000 2.446 5102 G HA2 -0.169 3.794 3.960 0.004 0.000 0.217 5102 G HA3 -0.169 3.794 3.960 0.004 0.000 0.217 5102 G C 1.458 176.464 174.900 0.176 0.000 1.168 5102 G CA 0.989 46.141 45.100 0.086 0.000 0.771 5102 G HN 0.510 nan 8.290 nan 0.000 0.551 5103 L N 0.560 121.855 121.223 0.119 0.000 2.034 5103 L HA -0.137 4.206 4.340 0.004 0.000 0.217 5103 L C 2.712 179.667 176.870 0.142 0.000 1.077 5103 L CA 1.890 56.798 54.840 0.113 0.000 0.769 5103 L CB -0.879 41.230 42.059 0.083 0.000 0.890 5103 L HN 0.282 nan 8.230 nan 0.000 0.435 5104 L N -1.608 119.706 121.223 0.153 0.000 2.044 5104 L HA -0.230 4.112 4.340 0.004 0.000 0.205 5104 L C 2.570 179.561 176.870 0.202 0.000 1.075 5104 L CA 1.394 56.322 54.840 0.148 0.000 0.747 5104 L CB -0.847 41.290 42.059 0.130 0.000 0.903 5104 L HN 0.235 nan 8.230 nan 0.000 0.435 5105 F N 1.224 121.218 119.950 0.073 0.000 2.024 5105 F HA -0.362 4.167 4.527 0.004 0.000 0.296 5105 F C 2.452 178.302 175.800 0.083 0.000 1.137 5105 F CA 1.863 59.908 58.000 0.076 0.000 1.200 5105 F CB -0.373 38.664 39.000 0.062 0.000 0.954 5105 F HN -0.140 nan 8.300 nan 0.000 0.497 5106 L N 0.234 121.847 121.223 0.649 0.000 2.054 5106 L HA -0.379 3.964 4.340 0.004 0.000 0.220 5106 L C 2.722 179.717 176.870 0.209 0.000 1.081 5106 L CA 1.764 56.858 54.840 0.423 0.000 0.780 5106 L CB -1.294 40.923 42.059 0.262 0.000 0.893 5106 L HN 0.474 nan 8.230 nan 0.000 0.438 5107 A N -0.881 122.042 122.820 0.171 0.000 2.066 5107 A HA 0.024 4.347 4.320 0.004 0.000 0.218 5107 A C 2.418 180.144 177.584 0.237 0.000 1.157 5107 A CA 1.185 53.320 52.037 0.163 0.000 0.670 5107 A CB -0.457 18.613 19.000 0.116 0.000 0.804 5107 A HN 0.448 nan 8.150 nan 0.000 0.453 5108 A N -0.906 121.994 122.820 0.133 0.000 2.070 5108 A HA -0.148 4.175 4.320 0.004 0.000 0.220 5108 A C 2.156 179.812 177.584 0.120 0.000 1.159 5108 A CA 1.587 53.686 52.037 0.104 0.000 0.656 5108 A CB -1.125 17.843 19.000 -0.053 0.000 0.800 5108 A HN 0.602 nan 8.150 nan 0.000 0.453 5109 C N -3.069 116.265 119.300 0.056 0.000 2.446 5109 C HA -0.107 4.355 4.460 0.004 0.000 0.277 5109 C C 2.205 177.254 174.990 0.098 0.000 1.275 5109 C CA 0.402 59.449 59.018 0.049 0.000 1.727 5109 C CB -1.618 26.133 27.740 0.017 0.000 2.010 5109 C HN 0.864 nan 8.230 nan 0.000 0.486 5110 W N 1.303 122.529 121.300 -0.123 0.000 2.290 5110 W HA -0.213 4.450 4.660 0.004 0.000 0.323 5110 W C 2.636 178.990 176.519 -0.277 0.000 1.260 5110 W CA 2.100 59.215 57.345 -0.383 0.000 1.266 5110 W CB -0.791 28.481 29.460 -0.314 0.000 1.149 5110 W HN 0.482 nan 8.180 nan 0.000 0.482 5111 H N -2.554 116.637 119.070 0.201 0.000 2.559 5111 H HA -0.125 4.433 4.556 0.004 0.000 0.273 5111 H C 1.501 176.926 175.328 0.161 0.000 1.000 5111 H CA 1.435 57.580 56.048 0.161 0.000 1.195 5111 H CB -0.743 29.203 29.762 0.307 0.000 1.368 5111 H HN 0.430 nan 8.280 nan 0.000 0.592 5112 W N 1.561 122.922 121.300 0.101 0.000 2.580 5112 W HA -0.085 4.577 4.660 0.004 0.000 0.287 5112 W C 2.241 178.803 176.519 0.072 0.000 1.175 5112 W CA 1.066 58.450 57.345 0.065 0.000 1.409 5112 W CB -0.141 29.314 29.460 -0.009 0.000 1.101 5112 W HN -0.069 nan 8.180 nan 0.000 0.558 5113 V N -1.256 118.861 119.914 0.339 0.000 2.548 5113 V HA -0.157 3.966 4.120 0.004 0.000 0.249 5113 V C 0.724 177.077 176.094 0.432 0.000 1.055 5113 V CA 1.165 63.666 62.300 0.335 0.000 1.065 5113 V CB -1.376 30.636 31.823 0.314 0.000 0.681 5113 V HN 0.154 nan 8.190 nan 0.000 0.462 5114 Y N 2.155 122.352 120.300 -0.171 0.000 2.845 5114 Y HA 0.279 4.832 4.550 0.004 0.000 0.385 5114 Y C 1.253 176.924 175.900 -0.382 0.000 1.133 5114 Y CA -2.247 55.575 58.100 -0.464 0.000 1.660 5114 Y CB -0.857 36.921 38.460 -1.136 0.000 1.683 5114 Y HN 0.554 nan 8.280 nan 0.000 0.503 5115 W N -1.156 120.016 121.300 -0.213 0.000 2.453 5115 W HA 0.021 4.684 4.660 0.005 0.000 0.289 5115 W C -0.290 176.234 176.519 0.009 0.000 1.215 5115 W CA 0.288 57.571 57.345 -0.103 0.000 1.297 5115 W CB -0.454 28.860 29.460 -0.244 0.000 1.113 5115 W HN 0.174 nan 8.180 nan 0.000 0.551 5116 D N 2.085 121.908 120.400 -0.962 0.000 2.468 5116 D HA 0.332 4.975 4.640 0.004 0.000 0.218 5116 D C -0.352 175.632 176.300 -0.526 0.000 1.155 5116 D CA 0.132 53.625 54.000 -0.846 0.000 0.924 5116 D CB -0.188 39.854 40.800 -1.263 0.000 1.029 5116 D HN -0.060 nan 8.370 nan 0.000 0.515 5117 L N 1.973 122.958 121.223 -0.396 0.000 2.286 5117 L HA 0.412 4.754 4.340 0.004 0.000 0.265 5117 L C 1.544 178.265 176.870 -0.248 0.000 1.012 5117 L CA -1.046 53.504 54.840 -0.484 0.000 0.818 5117 L CB 1.492 42.999 42.059 -0.920 0.000 1.337 5117 L HN 0.233 nan 8.230 nan 0.000 0.438 5118 E N 1.279 121.358 120.200 -0.202 0.000 1.964 5118 E HA -0.222 4.130 4.350 0.004 0.000 0.209 5118 E C 1.563 178.162 176.600 -0.002 0.000 0.988 5118 E CA 1.603 57.951 56.400 -0.087 0.000 0.875 5118 E CB -0.258 29.403 29.700 -0.064 0.000 0.813 5118 E HN 0.540 nan 8.360 nan 0.000 0.533 5119 L N 0.368 121.606 121.223 0.026 0.000 2.841 5119 L HA -0.088 4.255 4.340 0.004 0.000 0.249 5119 L C 1.469 178.499 176.870 0.266 0.000 1.177 5119 L CA 1.333 56.240 54.840 0.112 0.000 0.864 5119 L CB -1.810 40.317 42.059 0.113 0.000 1.026 5119 L HN 0.174 nan 8.230 nan 0.000 0.457 5120 F N 1.615 121.559 119.950 -0.009 0.000 2.187 5120 F HA 0.113 4.643 4.527 0.005 0.000 0.295 5120 F C 1.886 177.671 175.800 -0.026 0.000 1.091 5120 F CA 0.276 58.267 58.000 -0.015 0.000 1.308 5120 F CB -0.080 38.894 39.000 -0.043 0.000 1.030 5120 F HN 0.283 nan 8.300 nan 0.000 0.487 5121 R N 0.540 121.123 120.500 0.138 0.000 2.553 5121 R HA 0.262 4.605 4.340 0.004 0.000 0.263 5121 R C -0.866 175.449 176.300 0.027 0.000 1.066 5121 R CA -0.709 55.415 56.100 0.041 0.000 1.135 5121 R CB -0.086 30.221 30.300 0.011 0.000 1.148 5121 R HN -0.052 nan 8.270 nan 0.000 0.558 5122 D N 1.617 122.021 120.400 0.006 0.000 2.295 5122 D HA 0.149 4.792 4.640 0.004 0.000 0.248 5122 D C -1.344 174.957 176.300 0.002 0.000 1.154 5122 D CA -2.043 51.961 54.000 0.006 0.000 0.857 5122 D CB 1.187 41.988 40.800 0.002 0.000 1.117 5122 D HN 0.172 nan 8.370 nan 0.000 0.468 5123 P HA -0.264 nan 4.420 nan 0.000 0.208 5123 P C 1.202 178.499 177.300 -0.005 0.000 1.180 5123 P CA 1.172 64.271 63.100 -0.001 0.000 0.935 5123 P CB 0.211 31.912 31.700 0.001 0.000 0.785 5124 R N -0.667 119.831 120.500 -0.004 0.000 2.174 5124 R HA -0.110 4.233 4.340 0.004 0.000 0.253 5124 R C 1.725 178.020 176.300 -0.008 0.000 1.165 5124 R CA 1.442 57.538 56.100 -0.006 0.000 0.984 5124 R CB -0.913 29.385 30.300 -0.004 0.000 0.873 5124 R HN 0.369 nan 8.270 nan 0.000 0.456 5125 T N -2.445 112.104 114.554 -0.008 0.000 2.923 5125 T HA 0.415 4.767 4.350 0.004 0.000 0.281 5125 T C 0.703 175.394 174.700 -0.014 0.000 0.995 5125 T CA -0.504 61.589 62.100 -0.011 0.000 0.985 5125 T CB 1.799 70.661 68.868 -0.010 0.000 1.114 5125 T HN 0.198 nan 8.240 nan 0.000 0.548 5126 G N 1.363 110.153 108.800 -0.017 0.000 3.702 5126 G HA2 0.404 4.366 3.960 0.004 0.000 0.288 5126 G HA3 0.404 4.366 3.960 0.004 0.000 0.288 5126 G C -0.045 174.842 174.900 -0.022 0.000 1.193 5126 G CA -0.382 44.705 45.100 -0.021 0.000 0.952 5126 G HN 0.817 nan 8.290 nan 0.000 0.544 5127 E N -0.292 119.896 120.200 -0.020 0.000 2.446 5127 E HA 0.588 4.941 4.350 0.004 0.000 0.276 5127 E C -3.228 173.359 176.600 -0.022 0.000 0.969 5127 E CA -2.275 54.112 56.400 -0.022 0.000 0.800 5127 E CB 2.284 31.973 29.700 -0.018 0.000 1.341 5127 E HN -0.038 nan 8.360 nan 0.000 0.460 5128 P HA 0.576 nan 4.420 nan 0.000 0.287 5128 P C -1.136 176.132 177.300 -0.054 0.000 1.270 5128 P CA -0.251 62.825 63.100 -0.039 0.000 0.844 5128 P CB 1.667 33.337 31.700 -0.051 0.000 1.068 5129 A N 1.326 124.105 122.820 -0.069 0.000 2.490 5129 A HA 0.631 4.954 4.320 0.004 0.000 0.292 5129 A C -2.110 175.428 177.584 -0.076 0.000 1.047 5129 A CA -0.572 51.424 52.037 -0.069 0.000 0.632 5129 A CB 0.470 19.452 19.000 -0.030 0.000 1.323 5129 A HN 0.418 nan 8.150 nan 0.000 0.448 5130 L N 0.668 121.851 121.223 -0.067 0.000 2.436 5130 L HA 0.416 4.759 4.340 0.004 0.000 0.268 5130 L C -1.041 175.804 176.870 -0.042 0.000 0.974 5130 L CA -0.743 54.061 54.840 -0.061 0.000 0.826 5130 L CB 2.181 44.187 42.059 -0.089 0.000 1.291 5130 L HN 0.803 nan 8.230 nan 0.000 0.406 5131 D N 2.913 123.295 120.400 -0.030 0.000 2.600 5131 D HA 0.160 4.803 4.640 0.004 0.000 0.226 5131 D C 1.019 177.291 176.300 -0.047 0.000 1.119 5131 D CA -0.162 53.820 54.000 -0.030 0.000 1.051 5131 D CB 0.460 41.251 40.800 -0.014 0.000 1.106 5131 D HN 0.294 nan 8.370 nan 0.000 0.491 5132 L N 3.601 124.783 121.223 -0.069 0.000 1.965 5132 L HA -0.173 4.169 4.340 0.004 0.000 0.226 5132 L C -0.403 176.460 176.870 -0.012 0.000 1.083 5132 L CA 1.776 56.578 54.840 -0.064 0.000 0.790 5132 L CB -2.147 39.847 42.059 -0.108 0.000 0.898 5132 L HN 0.316 nan 8.230 nan 0.000 0.439 5133 P HA -0.214 nan 4.420 nan 0.000 0.220 5133 P C 1.401 178.754 177.300 0.089 0.000 1.142 5133 P CA 1.581 64.723 63.100 0.070 0.000 0.801 5133 P CB -0.004 31.696 31.700 0.000 0.000 0.764 5134 K N -1.189 119.225 120.400 0.022 0.000 2.102 5134 K HA 0.076 4.399 4.320 0.004 0.000 0.206 5134 K C 2.133 178.711 176.600 -0.036 0.000 1.031 5134 K CA 1.038 57.321 56.287 -0.006 0.000 0.962 5134 K CB -0.456 32.031 32.500 -0.022 0.000 0.811 5134 K HN 0.082 nan 8.250 nan 0.000 0.453 5135 M N 0.258 119.807 119.600 -0.086 0.000 2.089 5135 M HA -0.231 4.251 4.480 0.004 0.000 0.257 5135 M C 2.114 178.276 176.300 -0.230 0.000 1.071 5135 M CA 1.839 56.978 55.300 -0.267 0.000 1.096 5135 M CB -1.038 31.363 32.600 -0.333 0.000 1.330 5135 M HN 0.034 nan 8.290 nan 0.000 0.403 5136 F N 2.123 121.963 119.950 -0.183 0.000 2.043 5136 F HA -0.042 4.487 4.527 0.005 0.000 0.297 5136 F C 2.464 178.265 175.800 0.001 0.000 1.121 5136 F CA 1.691 59.650 58.000 -0.069 0.000 1.199 5136 F CB -1.316 37.621 39.000 -0.105 0.000 0.968 5136 F HN 0.199 nan 8.300 nan 0.000 0.478 5137 G N 0.961 109.669 108.800 -0.154 0.000 2.649 5137 G HA2 -0.371 3.591 3.960 0.004 0.000 0.220 5137 G HA3 -0.371 3.591 3.960 0.004 0.000 0.220 5137 G C 1.576 176.433 174.900 -0.072 0.000 1.189 5137 G CA 2.298 47.304 45.100 -0.155 0.000 0.777 5137 G HN 0.566 nan 8.290 nan 0.000 0.602 5138 I N -2.354 118.219 120.570 0.005 0.000 2.333 5138 I HA 0.083 4.256 4.170 0.004 0.000 0.246 5138 I C 2.352 178.612 176.117 0.237 0.000 1.106 5138 I CA 1.536 62.922 61.300 0.144 0.000 1.411 5138 I CB -1.213 36.859 38.000 0.119 0.000 1.082 5138 I HN 0.259 nan 8.210 nan 0.000 0.420 5139 H N 0.846 119.964 119.070 0.081 0.000 2.289 5139 H HA -0.170 4.388 4.556 0.004 0.000 0.296 5139 H C 2.287 177.643 175.328 0.046 0.000 1.091 5139 H CA 1.541 57.641 56.048 0.087 0.000 1.274 5139 H CB -0.038 29.811 29.762 0.146 0.000 1.364 5139 H HN 0.278 nan 8.280 nan 0.000 0.490 5140 L N 0.788 122.057 121.223 0.076 0.000 1.971 5140 L HA -0.240 4.102 4.340 0.004 0.000 0.215 5140 L C 2.394 179.298 176.870 0.056 0.000 1.072 5140 L CA 1.733 56.538 54.840 -0.059 0.000 0.758 5140 L CB -1.168 40.599 42.059 -0.487 0.000 0.889 5140 L HN 0.234 nan 8.230 nan 0.000 0.433 5141 F N 0.676 120.601 119.950 -0.043 0.000 2.032 5141 F HA -0.331 4.198 4.527 0.004 0.000 0.297 5141 F C 2.383 178.209 175.800 0.042 0.000 1.125 5141 F CA 2.272 60.276 58.000 0.007 0.000 1.202 5141 F CB -0.915 38.091 39.000 0.010 0.000 0.958 5141 F HN 0.123 nan 8.300 nan 0.000 0.491 5142 L N 0.329 121.435 121.223 -0.196 0.000 1.976 5142 L HA -0.321 4.022 4.340 0.004 0.000 0.223 5142 L C 2.832 179.588 176.870 -0.189 0.000 1.081 5142 L CA 1.799 56.482 54.840 -0.261 0.000 0.784 5142 L CB -1.857 40.180 42.059 -0.037 0.000 0.896 5142 L HN 0.351 nan 8.230 nan 0.000 0.438 5143 A N 0.666 123.443 122.820 -0.071 0.000 1.879 5143 A HA -0.341 3.982 4.320 0.004 0.000 0.222 5143 A C 2.406 179.968 177.584 -0.037 0.000 1.368 5143 A CA 2.917 54.933 52.037 -0.036 0.000 0.707 5143 A CB -1.835 17.179 19.000 0.023 0.000 0.846 5143 A HN 0.528 nan 8.150 nan 0.000 0.468 5144 G N -0.150 108.642 108.800 -0.014 0.000 2.574 5144 G HA2 -0.324 3.638 3.960 0.004 0.000 0.220 5144 G HA3 -0.324 3.638 3.960 0.004 0.000 0.220 5144 G C 1.614 176.549 174.900 0.057 0.000 1.173 5144 G CA 1.917 47.038 45.100 0.035 0.000 0.772 5144 G HN 1.314 nan 8.290 nan 0.000 0.585 5145 L N -0.853 120.326 121.223 -0.073 0.000 2.079 5145 L HA 0.074 4.417 4.340 0.004 0.000 0.210 5145 L C 2.591 179.509 176.870 0.080 0.000 1.081 5145 L CA 1.656 56.515 54.840 0.031 0.000 0.752 5145 L CB -0.391 41.532 42.059 -0.226 0.000 0.896 5145 L HN 0.180 nan 8.230 nan 0.000 0.433 5146 L N 0.025 121.224 121.223 -0.040 0.000 2.093 5146 L HA -0.167 4.176 4.340 0.004 0.000 0.208 5146 L C 2.645 179.482 176.870 -0.056 0.000 1.085 5146 L CA 1.890 56.688 54.840 -0.069 0.000 0.755 5146 L CB -0.618 41.378 42.059 -0.105 0.000 0.904 5146 L HN 0.654 nan 8.230 nan 0.000 0.435 5147 C N -0.705 118.591 119.300 -0.006 0.000 2.581 5147 C HA -0.211 4.252 4.460 0.004 0.000 0.287 5147 C C 2.786 177.851 174.990 0.124 0.000 1.241 5147 C CA 0.900 59.937 59.018 0.031 0.000 1.747 5147 C CB -1.412 26.399 27.740 0.118 0.000 2.090 5147 C HN 0.703 nan 8.230 nan 0.000 0.460 5148 F N 2.341 122.347 119.950 0.094 0.000 2.071 5148 F HA -0.209 4.321 4.527 0.004 0.000 0.291 5148 F C 1.879 177.812 175.800 0.222 0.000 1.070 5148 F CA 2.452 60.536 58.000 0.140 0.000 1.262 5148 F CB -1.181 37.888 39.000 0.115 0.000 0.983 5148 F HN 0.315 nan 8.300 nan 0.000 0.493 5149 G N -1.137 107.391 108.800 -0.454 0.000 2.534 5149 G HA2 -0.217 3.745 3.960 0.004 0.000 0.217 5149 G HA3 -0.217 3.745 3.960 0.004 0.000 0.217 5149 G C 1.479 176.385 174.900 0.010 0.000 1.128 5149 G CA 0.467 45.374 45.100 -0.321 0.000 0.784 5149 G HN 0.461 nan 8.290 nan 0.000 0.542 5150 F N 2.559 122.408 119.950 -0.168 0.000 2.027 5150 F HA -0.099 4.431 4.527 0.005 0.000 0.297 5150 F C 2.522 178.318 175.800 -0.007 0.000 1.129 5150 F CA 1.864 59.775 58.000 -0.147 0.000 1.195 5150 F CB -0.676 38.132 39.000 -0.321 0.000 0.960 5150 F HN 0.117 nan 8.300 nan 0.000 0.485 5151 G N -1.149 107.663 108.800 0.020 0.000 2.408 5151 G HA2 -0.013 3.950 3.960 0.004 0.000 0.215 5151 G HA3 -0.013 3.950 3.960 0.004 0.000 0.215 5151 G C 1.834 176.703 174.900 -0.053 0.000 1.156 5151 G CA 0.743 45.797 45.100 -0.075 0.000 0.793 5151 G HN 0.662 nan 8.290 nan 0.000 0.535 5152 A N 0.618 123.403 122.820 -0.059 0.000 1.896 5152 A HA -0.071 4.252 4.320 0.004 0.000 0.220 5152 A C 2.090 179.648 177.584 -0.043 0.000 1.206 5152 A CA 2.041 53.984 52.037 -0.156 0.000 0.647 5152 A CB -0.542 18.148 19.000 -0.517 0.000 0.828 5152 A HN 0.489 nan 8.150 nan 0.000 0.455 5153 F N -4.800 115.080 119.950 -0.117 0.000 2.495 5153 F HA 0.168 4.698 4.527 0.004 0.000 0.272 5153 F C 2.245 178.033 175.800 -0.021 0.000 0.919 5153 F CA 0.003 58.000 58.000 -0.005 0.000 1.178 5153 F CB -0.579 38.502 39.000 0.135 0.000 1.030 5153 F HN 0.247 nan 8.300 nan 0.000 0.777 5154 H N 2.681 121.787 119.070 0.060 0.000 2.610 5154 H HA -0.134 4.425 4.556 0.004 0.000 0.298 5154 H C 2.166 177.352 175.328 -0.236 0.000 1.035 5154 H CA 2.297 58.250 56.048 -0.159 0.000 1.123 5154 H CB -0.578 29.004 29.762 -0.300 0.000 1.447 5154 H HN 0.104 nan 8.280 nan 0.000 0.659 5155 L N 0.249 121.268 121.223 -0.340 0.000 2.283 5155 L HA -0.198 4.144 4.340 0.004 0.000 0.217 5155 L C 2.187 178.911 176.870 -0.243 0.000 1.104 5155 L CA 1.634 56.251 54.840 -0.371 0.000 0.772 5155 L CB -0.589 41.238 42.059 -0.386 0.000 0.899 5155 L HN 0.380 nan 8.230 nan 0.000 0.439 5156 T N -1.422 113.029 114.554 -0.170 0.000 3.022 5156 T HA 0.243 4.596 4.350 0.004 0.000 0.250 5156 T C 1.428 176.065 174.700 -0.105 0.000 1.060 5156 T CA 0.707 62.729 62.100 -0.130 0.000 1.013 5156 T CB 0.751 69.555 68.868 -0.107 0.000 0.982 5156 T HN 0.587 nan 8.240 nan 0.000 0.508 5157 G N 1.322 110.058 108.800 -0.106 0.000 2.175 5157 G HA2 -0.241 3.721 3.960 0.004 0.000 0.244 5157 G HA3 -0.241 3.721 3.960 0.004 0.000 0.244 5157 G C 0.888 175.803 174.900 0.025 0.000 0.982 5157 G CA 0.132 45.189 45.100 -0.072 0.000 0.641 5157 G HN 0.375 nan 8.290 nan 0.000 0.527 5158 L N -0.940 120.320 121.223 0.061 0.000 2.131 5158 L HA 0.322 4.665 4.340 0.004 0.000 0.210 5158 L C 1.175 178.226 176.870 0.301 0.000 1.092 5158 L CA 1.713 56.618 54.840 0.109 0.000 0.759 5158 L CB -0.831 41.236 42.059 0.013 0.000 0.903 5158 L HN 0.529 nan 8.230 nan 0.000 0.435 5159 F N -0.757 119.274 119.950 0.135 0.000 3.358 5159 F HA 0.476 5.006 4.527 0.005 0.000 0.396 5159 F C 0.178 176.017 175.800 0.064 0.000 1.225 5159 F CA -0.171 57.911 58.000 0.136 0.000 1.280 5159 F CB 0.689 39.837 39.000 0.247 0.000 2.012 5159 F HN 0.076 nan 8.300 nan 0.000 0.685 5160 G N 4.127 112.902 108.800 -0.042 0.000 2.359 5160 G HA2 0.115 4.077 3.960 0.004 0.000 0.303 5160 G HA3 0.115 4.077 3.960 0.004 0.000 0.303 5160 G C -3.485 171.259 174.900 -0.261 0.000 1.293 5160 G CA -0.960 44.021 45.100 -0.198 0.000 0.964 5160 G HN 0.205 nan 8.290 nan 0.000 0.531 5161 P HA 0.398 nan 4.420 nan 0.000 0.297 5161 P C 1.176 178.132 177.300 -0.574 0.000 1.319 5161 P CA 0.575 63.456 63.100 -0.365 0.000 0.810 5161 P CB 1.313 32.863 31.700 -0.249 0.000 0.947 5162 G N 4.468 113.047 108.800 -0.368 0.000 2.941 5162 G HA2 0.044 4.007 3.960 0.004 0.000 0.206 5162 G HA3 0.044 4.007 3.960 0.004 0.000 0.206 5162 G C 0.481 175.171 174.900 -0.349 0.000 1.403 5162 G CA 1.702 46.591 45.100 -0.352 0.000 0.805 5162 G HN 0.756 nan 8.290 nan 0.000 0.689 5163 M N -4.525 114.958 119.600 -0.195 0.000 3.444 5163 M HA 0.295 4.778 4.480 0.004 0.000 0.311 5163 M C -1.924 174.370 176.300 -0.010 0.000 1.139 5163 M CA -0.955 54.305 55.300 -0.066 0.000 0.881 5163 M CB 1.267 33.841 32.600 -0.043 0.000 1.791 5163 M HN 0.329 nan 8.290 nan 0.000 0.548 5164 W N 2.958 124.223 121.300 -0.057 0.000 2.311 5164 W HA 0.656 5.319 4.660 0.005 0.000 0.310 5164 W C -2.136 174.353 176.519 -0.051 0.000 1.274 5164 W CA -0.135 57.182 57.345 -0.048 0.000 1.215 5164 W CB 1.093 30.525 29.460 -0.047 0.000 1.227 5164 W HN 0.576 nan 8.180 nan 0.000 0.523 5165 V N 5.045 124.764 119.914 -0.325 0.000 2.888 5165 V HA 0.490 4.613 4.120 0.004 0.000 0.309 5165 V C -0.448 175.533 176.094 -0.188 0.000 1.114 5165 V CA -0.760 61.483 62.300 -0.096 0.000 0.940 5165 V CB 1.707 33.471 31.823 -0.099 0.000 1.021 5165 V HN 0.532 nan 8.190 nan 0.000 0.426 5166 S N 1.323 117.054 115.700 0.052 0.000 2.607 5166 S HA 0.544 5.017 4.470 0.004 0.000 0.273 5166 S C -1.976 172.685 174.600 0.101 0.000 1.148 5166 S CA -0.719 57.537 58.200 0.093 0.000 0.833 5166 S CB 2.154 65.531 63.200 0.295 0.000 1.130 5166 S HN 0.796 nan 8.310 nan 0.000 0.470 5167 D N 2.523 122.986 120.400 0.104 0.000 2.232 5167 D HA 0.304 4.947 4.640 0.004 0.000 0.242 5167 D C -1.685 174.702 176.300 0.146 0.000 1.093 5167 D CA -1.190 52.872 54.000 0.103 0.000 0.845 5167 D CB 1.592 42.443 40.800 0.085 0.000 1.124 5167 D HN 0.258 nan 8.370 nan 0.000 0.467 5168 P HA -0.255 nan 4.420 nan 0.000 0.217 5168 P C -0.772 176.422 177.300 -0.177 0.000 0.959 5168 P CA 1.795 64.879 63.100 -0.026 0.000 0.942 5168 P CB -0.214 31.526 31.700 0.067 0.000 0.587 5169 Y N -2.522 117.900 120.300 0.203 0.000 2.391 5169 Y HA 0.558 5.110 4.550 0.004 0.000 0.341 5169 Y C 1.233 177.281 175.900 0.247 0.000 0.965 5169 Y CA -0.978 57.290 58.100 0.280 0.000 1.067 5169 Y CB 1.540 40.099 38.460 0.165 0.000 1.199 5169 Y HN -0.201 nan 8.280 nan 0.000 0.450 5170 G N 2.532 111.642 108.800 0.517 0.000 2.138 5170 G HA2 0.175 4.138 3.960 0.004 0.000 0.244 5170 G HA3 0.175 4.138 3.960 0.004 0.000 0.244 5170 G C -0.091 174.896 174.900 0.144 0.000 1.166 5170 G CA 0.726 46.093 45.100 0.444 0.000 0.902 5170 G HN 0.649 nan 8.290 nan 0.000 0.460 5171 L N 0.897 122.228 121.223 0.180 0.000 1.433 5171 L HA 0.161 4.504 4.340 0.004 0.000 0.079 5171 L C 2.057 178.995 176.870 0.113 0.000 1.532 5171 L CA 1.307 56.205 54.840 0.096 0.000 1.090 5171 L CB -0.126 41.992 42.059 0.097 0.000 2.182 5171 L HN 0.617 nan 8.230 nan 0.000 0.440 5172 T N -1.119 113.500 114.554 0.108 0.000 3.176 5172 T HA 0.469 4.821 4.350 0.004 0.000 0.263 5172 T C 0.865 175.581 174.700 0.027 0.000 1.021 5172 T CA 0.160 62.297 62.100 0.062 0.000 0.905 5172 T CB -0.526 68.359 68.868 0.028 0.000 1.057 5172 T HN 0.385 nan 8.240 nan 0.000 0.558 5173 G N 1.016 109.890 108.800 0.124 0.000 2.349 5173 G HA2 0.364 4.327 3.960 0.004 0.000 0.232 5173 G HA3 0.364 4.327 3.960 0.004 0.000 0.232 5173 G C -0.319 174.279 174.900 -0.503 0.000 1.240 5173 G CA 0.077 45.180 45.100 0.006 0.000 0.870 5173 G HN 0.644 nan 8.290 nan 0.000 0.528 5174 S N -0.037 115.019 115.700 -1.073 0.000 2.614 5174 S HA 0.261 4.734 4.470 0.004 0.000 0.280 5174 S C -0.595 173.488 174.600 -0.861 0.000 1.111 5174 S CA -0.709 56.917 58.200 -0.957 0.000 0.847 5174 S CB 1.107 64.061 63.200 -0.411 0.000 1.079 5174 S HN 0.829 nan 8.310 nan 0.000 0.452 5175 V N 4.447 124.008 119.914 -0.590 0.000 2.655 5175 V HA 0.470 4.593 4.120 0.004 0.000 0.300 5175 V C 0.137 176.080 176.094 -0.251 0.000 1.044 5175 V CA 0.587 62.691 62.300 -0.328 0.000 1.095 5175 V CB 1.164 32.887 31.823 -0.166 0.000 0.952 5175 V HN 0.746 nan 8.190 nan 0.000 0.485 5176 Q N 4.221 123.893 119.800 -0.214 0.000 2.438 5176 Q HA 0.325 4.667 4.340 0.004 0.000 0.272 5176 Q C -2.864 173.038 176.000 -0.164 0.000 0.994 5176 Q CA -1.619 54.080 55.803 -0.173 0.000 0.887 5176 Q CB 2.833 31.474 28.738 -0.161 0.000 1.432 5176 Q HN 0.374 nan 8.270 nan 0.000 0.392 5177 P HA 0.070 nan 4.420 nan 0.000 0.265 5177 P C -0.901 176.322 177.300 -0.129 0.000 1.193 5177 P CA 0.039 63.049 63.100 -0.150 0.000 0.765 5177 P CB 0.528 32.157 31.700 -0.117 0.000 0.823 5178 V N 2.918 122.749 119.914 -0.139 0.000 2.487 5178 V HA 0.594 4.716 4.120 0.004 0.000 0.298 5178 V C 0.180 176.197 176.094 -0.127 0.000 1.028 5178 V CA -0.982 61.247 62.300 -0.119 0.000 0.860 5178 V CB 1.614 33.370 31.823 -0.113 0.000 0.991 5178 V HN 0.580 nan 8.190 nan 0.000 0.427 5179 A N 6.670 129.422 122.820 -0.114 0.000 2.309 5179 A HA 0.757 5.080 4.320 0.004 0.000 0.290 5179 A C -2.454 175.021 177.584 -0.182 0.000 1.206 5179 A CA -1.462 50.495 52.037 -0.132 0.000 0.850 5179 A CB 0.103 19.047 19.000 -0.092 0.000 1.118 5179 A HN 0.666 nan 8.150 nan 0.000 0.523 5180 P HA 0.095 nan 4.420 nan 0.000 0.265 5180 P C -0.366 176.656 177.300 -0.464 0.000 1.193 5180 P CA 0.312 63.138 63.100 -0.458 0.000 0.765 5180 P CB 0.535 31.775 31.700 -0.766 0.000 0.823 5181 E N 3.192 123.191 120.200 -0.335 0.000 2.402 5181 E HA 0.116 4.469 4.350 0.004 0.000 0.244 5181 E C -0.649 175.970 176.600 0.032 0.000 0.945 5181 E CA -0.397 55.938 56.400 -0.107 0.000 0.774 5181 E CB 0.356 30.051 29.700 -0.009 0.000 1.296 5181 E HN 0.375 nan 8.360 nan 0.000 0.414 5182 W N 3.085 124.429 121.300 0.073 0.000 3.292 5182 W HA 0.335 4.997 4.660 0.004 0.000 0.263 5182 W C 0.935 177.601 176.519 0.245 0.000 1.318 5182 W CA -0.324 57.097 57.345 0.126 0.000 1.663 5182 W CB -0.880 28.656 29.460 0.126 0.000 1.114 5182 W HN 0.342 nan 8.180 nan 0.000 0.706 5183 G N 2.437 111.490 108.800 0.420 0.000 2.413 5183 G HA2 0.037 4.000 3.960 0.004 0.000 0.300 5183 G HA3 0.037 4.000 3.960 0.004 0.000 0.300 5183 G C -1.178 173.907 174.900 0.309 0.000 1.370 5183 G CA 0.005 45.282 45.100 0.294 0.000 1.110 5183 G HN -0.015 nan 8.290 nan 0.000 0.596 5184 P HA -0.041 nan 4.420 nan 0.000 0.213 5184 P C 1.270 178.720 177.300 0.250 0.000 1.170 5184 P CA 1.427 64.600 63.100 0.123 0.000 0.893 5184 P CB 0.018 31.750 31.700 0.053 0.000 0.784 5185 D N -0.549 119.970 120.400 0.199 0.000 2.357 5185 D HA -0.097 4.546 4.640 0.004 0.000 0.216 5185 D C 1.810 178.252 176.300 0.237 0.000 0.973 5185 D CA 1.080 55.196 54.000 0.192 0.000 0.912 5185 D CB -1.020 39.856 40.800 0.127 0.000 0.900 5185 D HN 0.079 nan 8.370 nan 0.000 0.501 5186 G N -1.350 107.646 108.800 0.327 0.000 2.916 5186 G HA2 -0.103 3.860 3.960 0.004 0.000 0.205 5186 G HA3 -0.103 3.860 3.960 0.004 0.000 0.205 5186 G C 0.277 175.159 174.900 -0.030 0.000 1.163 5186 G CA 0.048 45.253 45.100 0.176 0.000 0.821 5186 G HN 0.260 nan 8.290 nan 0.000 0.515 5187 F N -0.578 119.411 119.950 0.066 0.000 2.775 5187 F HA 0.289 4.819 4.527 0.004 0.000 0.313 5187 F C 0.563 176.378 175.800 0.025 0.000 1.121 5187 F CA -1.587 56.438 58.000 0.043 0.000 1.206 5187 F CB -0.044 38.983 39.000 0.046 0.000 1.052 5187 F HN 0.066 nan 8.300 nan 0.000 0.524 5188 N N 2.528 121.333 118.700 0.175 0.000 2.437 5188 N HA 0.136 4.879 4.740 0.004 0.000 0.243 5188 N C -1.947 173.594 175.510 0.050 0.000 1.041 5188 N CA -1.590 51.542 53.050 0.137 0.000 0.940 5188 N CB 1.313 39.897 38.487 0.162 0.000 1.133 5188 N HN -0.143 nan 8.380 nan 0.000 0.506 5189 P HA -0.197 nan 4.420 nan 0.000 0.219 5189 P C -0.063 177.033 177.300 -0.339 0.000 1.147 5189 P CA 1.416 64.365 63.100 -0.251 0.000 0.821 5189 P CB 0.021 31.487 31.700 -0.391 0.000 0.771 5190 Y N -2.704 117.590 120.300 -0.009 0.000 2.490 5190 Y HA 0.070 4.623 4.550 0.004 0.000 0.285 5190 Y C 1.298 177.192 175.900 -0.011 0.000 1.117 5190 Y CA 0.106 58.195 58.100 -0.019 0.000 1.262 5190 Y CB -0.553 37.888 38.460 -0.030 0.000 1.043 5190 Y HN -0.084 nan 8.280 nan 0.000 0.553 5191 N N 1.914 120.686 118.700 0.119 0.000 2.401 5191 N HA 0.053 4.796 4.740 0.004 0.000 0.255 5191 N C -2.130 173.389 175.510 0.015 0.000 1.110 5191 N CA -1.418 51.673 53.050 0.068 0.000 0.949 5191 N CB 1.186 39.715 38.487 0.069 0.000 1.110 5191 N HN 0.008 nan 8.380 nan 0.000 0.490 5192 P HA -0.154 nan 4.420 nan 0.000 0.209 5192 P C 1.192 178.464 177.300 -0.045 0.000 1.167 5192 P CA 1.704 64.795 63.100 -0.015 0.000 0.941 5192 P CB -0.149 31.539 31.700 -0.020 0.000 0.787 5193 G N -0.969 107.791 108.800 -0.067 0.000 2.657 5193 G HA2 -0.271 3.692 3.960 0.004 0.000 0.224 5193 G HA3 -0.271 3.692 3.960 0.004 0.000 0.224 5193 G C 1.522 176.337 174.900 -0.141 0.000 1.086 5193 G CA 1.095 46.122 45.100 -0.121 0.000 0.730 5193 G HN 0.490 nan 8.290 nan 0.000 0.602 5194 G N -0.890 107.847 108.800 -0.104 0.000 2.956 5194 G HA2 0.219 4.181 3.960 0.004 0.000 0.207 5194 G HA3 0.219 4.181 3.960 0.004 0.000 0.207 5194 G C 1.076 175.899 174.900 -0.128 0.000 1.162 5194 G CA 0.812 45.815 45.100 -0.161 0.000 0.796 5194 G HN 0.366 nan 8.290 nan 0.000 0.527 5195 V N -0.751 119.138 119.914 -0.042 0.000 3.473 5195 V HA 0.027 4.149 4.120 0.004 0.000 0.253 5195 V C 2.444 178.636 176.094 0.163 0.000 1.340 5195 V CA 0.360 62.711 62.300 0.084 0.000 1.103 5195 V CB 0.859 32.750 31.823 0.113 0.000 0.881 5195 V HN 0.158 nan 8.190 nan 0.000 0.451 5196 V N 0.806 120.727 119.914 0.012 0.000 2.591 5196 V HA -0.012 4.111 4.120 0.004 0.000 0.249 5196 V C 2.541 178.561 176.094 -0.122 0.000 1.053 5196 V CA 1.865 64.137 62.300 -0.047 0.000 1.068 5196 V CB -0.647 31.090 31.823 -0.142 0.000 0.689 5196 V HN 0.502 nan 8.190 nan 0.000 0.462 5197 A N -0.543 122.138 122.820 -0.231 0.000 2.123 5197 A HA -0.093 4.230 4.320 0.004 0.000 0.214 5197 A C 2.008 179.570 177.584 -0.036 0.000 1.152 5197 A CA 1.358 53.148 52.037 -0.412 0.000 0.728 5197 A CB -0.542 18.087 19.000 -0.619 0.000 0.814 5197 A HN 0.741 nan 8.150 nan 0.000 0.464 5198 H N -0.880 118.150 119.070 -0.065 0.000 2.287 5198 H HA -0.030 4.528 4.556 0.005 0.000 0.309 5198 H C 1.831 177.184 175.328 0.042 0.000 1.059 5198 H CA 2.088 58.106 56.048 -0.051 0.000 1.357 5198 H CB -0.630 29.015 29.762 -0.194 0.000 1.409 5198 H HN 0.535 nan 8.280 nan 0.000 0.515 5199 H N -0.081 118.767 119.070 -0.371 0.000 2.353 5199 H HA -0.118 4.441 4.556 0.004 0.000 0.298 5199 H C 2.413 177.701 175.328 -0.067 0.000 1.103 5199 H CA 2.009 57.880 56.048 -0.294 0.000 1.293 5199 H CB -0.135 29.696 29.762 0.114 0.000 1.372 5199 H HN 0.332 nan 8.280 nan 0.000 0.501 5200 I N 0.221 120.892 120.570 0.169 0.000 2.208 5200 I HA -0.335 3.837 4.170 0.004 0.000 0.245 5200 I C 2.703 179.028 176.117 0.346 0.000 1.097 5200 I CA 0.970 62.461 61.300 0.319 0.000 1.363 5200 I CB -0.488 37.668 38.000 0.261 0.000 1.051 5200 I HN 0.366 nan 8.210 nan 0.000 0.413 5201 A N 1.033 124.004 122.820 0.251 0.000 1.828 5201 A HA -0.161 4.162 4.320 0.004 0.000 0.215 5201 A C 2.503 180.155 177.584 0.113 0.000 1.203 5201 A CA 1.976 54.153 52.037 0.234 0.000 0.614 5201 A CB -1.120 18.045 19.000 0.276 0.000 0.844 5201 A HN 0.420 nan 8.150 nan 0.000 0.445 5202 A N -0.933 121.871 122.820 -0.025 0.000 2.178 5202 A HA 0.197 4.520 4.320 0.004 0.000 0.218 5202 A C 2.140 179.763 177.584 0.066 0.000 1.157 5202 A CA 1.779 53.825 52.037 0.013 0.000 0.689 5202 A CB -1.027 17.961 19.000 -0.021 0.000 0.787 5202 A HN 0.732 nan 8.150 nan 0.000 0.465 5203 G N -0.105 108.762 108.800 0.112 0.000 2.417 5203 G HA2 -0.048 3.915 3.960 0.004 0.000 0.212 5203 G HA3 -0.048 3.915 3.960 0.004 0.000 0.212 5203 G C 1.479 176.474 174.900 0.158 0.000 1.187 5203 G CA 0.766 45.982 45.100 0.195 0.000 0.804 5203 G HN 0.409 nan 8.290 nan 0.000 0.534 5204 I N 0.655 121.305 120.570 0.135 0.000 2.208 5204 I HA -0.196 3.976 4.170 0.004 0.000 0.245 5204 I C 2.767 178.899 176.117 0.026 0.000 1.097 5204 I CA 0.748 62.029 61.300 -0.030 0.000 1.363 5204 I CB -0.128 37.857 38.000 -0.024 0.000 1.051 5204 I HN 0.033 nan 8.210 nan 0.000 0.413 5205 V N 0.695 120.647 119.914 0.064 0.000 2.283 5205 V HA -0.172 3.951 4.120 0.004 0.000 0.243 5205 V C 2.617 178.759 176.094 0.079 0.000 1.039 5205 V CA 2.101 64.440 62.300 0.065 0.000 1.016 5205 V CB -1.412 30.456 31.823 0.074 0.000 0.650 5205 V HN 0.544 nan 8.190 nan 0.000 0.449 5206 G N 0.349 109.203 108.800 0.091 0.000 2.475 5206 G HA2 -0.238 3.724 3.960 0.004 0.000 0.220 5206 G HA3 -0.238 3.724 3.960 0.004 0.000 0.220 5206 G C 1.474 176.443 174.900 0.115 0.000 1.125 5206 G CA 1.004 46.163 45.100 0.097 0.000 0.755 5206 G HN 0.338 nan 8.290 nan 0.000 0.565 5207 I N 1.191 121.834 120.570 0.123 0.000 2.058 5207 I HA -0.149 4.024 4.170 0.004 0.000 0.235 5207 I C 2.909 179.176 176.117 0.251 0.000 1.053 5207 I CA 0.972 62.407 61.300 0.225 0.000 1.313 5207 I CB -1.221 36.884 38.000 0.175 0.000 1.039 5207 I HN 0.175 nan 8.210 nan 0.000 0.396 5208 I N 1.047 121.707 120.570 0.150 0.000 2.121 5208 I HA -0.399 3.773 4.170 0.004 0.000 0.243 5208 I C 2.763 178.963 176.117 0.139 0.000 1.047 5208 I CA 1.941 63.309 61.300 0.114 0.000 1.308 5208 I CB -0.655 37.382 38.000 0.060 0.000 1.015 5208 I HN 0.246 nan 8.210 nan 0.000 0.410 5209 A N 0.905 123.798 122.820 0.122 0.000 1.892 5209 A HA -0.212 4.111 4.320 0.004 0.000 0.218 5209 A C 2.414 180.129 177.584 0.219 0.000 1.188 5209 A CA 2.337 54.464 52.037 0.150 0.000 0.631 5209 A CB -1.535 17.542 19.000 0.129 0.000 0.822 5209 A HN 0.529 nan 8.150 nan 0.000 0.447 5210 G N -0.240 108.657 108.800 0.162 0.000 2.453 5210 G HA2 -0.165 3.797 3.960 0.004 0.000 0.215 5210 G HA3 -0.165 3.797 3.960 0.004 0.000 0.215 5210 G C 1.548 176.504 174.900 0.094 0.000 1.201 5210 G CA 1.000 46.168 45.100 0.114 0.000 0.784 5210 G HN 0.433 nan 8.290 nan 0.000 0.545 5211 L N -0.573 120.681 121.223 0.051 0.000 1.991 5211 L HA -0.205 4.138 4.340 0.004 0.000 0.221 5211 L C 2.592 179.454 176.870 -0.014 0.000 1.079 5211 L CA 2.010 56.799 54.840 -0.085 0.000 0.778 5211 L CB -0.780 41.229 42.059 -0.083 0.000 0.893 5211 L HN 0.262 nan 8.230 nan 0.000 0.437 5212 F N 0.456 120.368 119.950 -0.062 0.000 2.015 5212 F HA -0.320 4.210 4.527 0.004 0.000 0.297 5212 F C 2.803 178.542 175.800 -0.102 0.000 1.141 5212 F CA 2.020 59.965 58.000 -0.090 0.000 1.192 5212 F CB -0.589 38.346 39.000 -0.109 0.000 0.957 5212 F HN 0.104 nan 8.300 nan 0.000 0.491 5213 H N -0.529 118.636 119.070 0.157 0.000 2.541 5213 H HA -0.118 4.441 4.556 0.005 0.000 0.289 5213 H C 2.014 177.279 175.328 -0.105 0.000 1.054 5213 H CA 1.527 57.586 56.048 0.019 0.000 1.250 5213 H CB -0.189 29.547 29.762 -0.043 0.000 1.369 5213 H HN 0.354 nan 8.280 nan 0.000 0.578 5214 I N -0.184 120.371 120.570 -0.025 0.000 2.731 5214 I HA -0.097 4.076 4.170 0.004 0.000 0.260 5214 I C 2.022 178.072 176.117 -0.112 0.000 1.138 5214 I CA 0.712 61.971 61.300 -0.068 0.000 1.461 5214 I CB 0.021 37.963 38.000 -0.097 0.000 1.128 5214 I HN 0.032 nan 8.210 nan 0.000 0.438 5215 L N -1.102 120.018 121.223 -0.172 0.000 2.130 5215 L HA 0.117 4.460 4.340 0.004 0.000 0.200 5215 L C 1.121 177.856 176.870 -0.225 0.000 1.075 5215 L CA 0.068 54.799 54.840 -0.183 0.000 0.768 5215 L CB -0.965 40.980 42.059 -0.189 0.000 0.933 5215 L HN -0.228 nan 8.230 nan 0.000 0.451 5216 V N 0.951 120.631 119.914 -0.390 0.000 3.484 5216 V HA -0.068 4.055 4.120 0.004 0.000 0.304 5216 V C 0.382 176.335 176.094 -0.234 0.000 1.116 5216 V CA 0.102 62.139 62.300 -0.439 0.000 1.187 5216 V CB 0.183 31.436 31.823 -0.950 0.000 1.062 5216 V HN 0.469 nan 8.190 nan 0.000 0.489 5217 R N 2.227 122.629 120.500 -0.163 0.000 2.740 5217 R HA 0.563 4.905 4.340 0.004 0.000 0.282 5217 R C -2.827 173.466 176.300 -0.011 0.000 0.969 5217 R CA -2.031 54.035 56.100 -0.058 0.000 0.918 5217 R CB 0.980 31.265 30.300 -0.025 0.000 1.175 5217 R HN 0.475 nan 8.270 nan 0.000 0.464 5218 P HA 0.084 nan 4.420 nan 0.000 0.266 5218 P C -2.122 175.250 177.300 0.120 0.000 1.419 5218 P CA -0.972 62.175 63.100 0.077 0.000 1.112 5218 P CB -0.010 31.698 31.700 0.014 0.000 1.438 5219 P HA -0.141 nan 4.420 nan 0.000 0.251 5219 P C 1.399 178.767 177.300 0.113 0.000 1.154 5219 P CA 0.428 63.581 63.100 0.088 0.000 0.805 5219 P CB 0.498 32.242 31.700 0.074 0.000 0.759 5220 Q N 4.359 124.226 119.800 0.112 0.000 2.114 5220 Q HA -0.345 3.998 4.340 0.004 0.000 0.218 5220 Q C 1.703 177.763 176.000 0.100 0.000 1.064 5220 Q CA 2.087 57.953 55.803 0.104 0.000 0.926 5220 Q CB -0.994 27.762 28.738 0.030 0.000 1.067 5220 Q HN 0.167 nan 8.270 nan 0.000 0.439 5221 R N 0.523 121.061 120.500 0.064 0.000 2.438 5221 R HA -0.028 4.315 4.340 0.004 0.000 0.227 5221 R C 1.415 177.760 176.300 0.075 0.000 1.153 5221 R CA 1.403 57.536 56.100 0.055 0.000 1.059 5221 R CB -0.186 30.139 30.300 0.040 0.000 0.831 5221 R HN 0.631 nan 8.270 nan 0.000 0.487 5222 L N -3.067 118.221 121.223 0.108 0.000 2.547 5222 L HA 0.078 4.421 4.340 0.004 0.000 0.218 5222 L C 1.760 178.726 176.870 0.160 0.000 1.048 5222 L CA 0.167 55.075 54.840 0.112 0.000 0.859 5222 L CB -0.452 41.671 42.059 0.106 0.000 1.128 5222 L HN 0.171 nan 8.230 nan 0.000 0.483 5223 Y N 2.455 122.771 120.300 0.028 0.000 2.220 5223 Y HA -0.219 4.333 4.550 0.004 0.000 0.291 5223 Y C 2.499 178.405 175.900 0.009 0.000 1.129 5223 Y CA 1.359 59.471 58.100 0.019 0.000 1.161 5223 Y CB 0.359 38.830 38.460 0.018 0.000 0.997 5223 Y HN 0.136 nan 8.280 nan 0.000 0.522 5224 K N -0.459 120.033 120.400 0.153 0.000 2.314 5224 K HA 0.196 4.519 4.320 0.004 0.000 0.198 5224 K C 1.886 178.519 176.600 0.056 0.000 1.045 5224 K CA 0.701 57.007 56.287 0.031 0.000 0.988 5224 K CB -0.041 32.426 32.500 -0.054 0.000 0.783 5224 K HN 0.174 nan 8.250 nan 0.000 0.484 5225 A N 2.321 125.186 122.820 0.075 0.000 1.840 5225 A HA 0.058 4.381 4.320 0.004 0.000 0.214 5225 A C 1.187 178.811 177.584 0.068 0.000 1.198 5225 A CA 0.427 52.499 52.037 0.059 0.000 0.608 5225 A CB -0.365 18.670 19.000 0.059 0.000 0.839 5225 A HN 0.365 nan 8.150 nan 0.000 0.443 5226 L N 0.196 121.469 121.223 0.082 0.000 2.278 5226 L HA 0.412 4.755 4.340 0.004 0.000 0.287 5226 L C 0.820 177.743 176.870 0.089 0.000 1.072 5226 L CA -0.644 54.236 54.840 0.067 0.000 0.819 5226 L CB 0.785 42.875 42.059 0.051 0.000 1.176 5226 L HN 0.306 nan 8.230 nan 0.000 0.435 5227 R N 4.974 125.514 120.500 0.066 0.000 2.479 5227 R HA -0.058 4.285 4.340 0.004 0.000 0.212 5227 R C 0.516 176.866 176.300 0.084 0.000 1.367 5227 R CA 0.299 56.444 56.100 0.075 0.000 1.290 5227 R CB -1.033 29.287 30.300 0.034 0.000 0.876 5227 R HN 0.731 nan 8.270 nan 0.000 0.486 5228 M N -2.625 117.021 119.600 0.076 0.000 2.243 5228 M HA 0.161 4.643 4.480 0.004 0.000 0.309 5228 M C 1.127 177.468 176.300 0.068 0.000 1.050 5228 M CA 1.403 56.692 55.300 -0.018 0.000 1.139 5228 M CB 0.367 32.871 32.600 -0.159 0.000 1.457 5228 M HN 0.182 nan 8.290 nan 0.000 0.440 5229 G N 1.437 110.226 108.800 -0.019 0.000 2.238 5229 G HA2 -0.285 3.677 3.960 0.004 0.000 0.217 5229 G HA3 -0.285 3.677 3.960 0.004 0.000 0.217 5229 G C -0.067 174.854 174.900 0.035 0.000 0.996 5229 G CA 0.256 45.406 45.100 0.082 0.000 0.632 5229 G HN 1.046 nan 8.290 nan 0.000 0.503 5230 N N 0.620 119.325 118.700 0.007 0.000 2.621 5230 N HA 0.415 5.158 4.740 0.004 0.000 0.237 5230 N C 1.546 177.018 175.510 -0.062 0.000 0.997 5230 N CA -0.525 52.507 53.050 -0.031 0.000 0.918 5230 N CB 0.423 38.891 38.487 -0.032 0.000 1.122 5230 N HN 0.158 nan 8.380 nan 0.000 0.510 5231 I N 3.354 123.881 120.570 -0.071 0.000 2.354 5231 I HA -0.321 3.852 4.170 0.004 0.000 0.258 5231 I C 2.008 178.068 176.117 -0.095 0.000 1.111 5231 I CA 1.629 62.881 61.300 -0.081 0.000 1.390 5231 I CB -0.246 37.704 38.000 -0.083 0.000 1.072 5231 I HN 0.694 nan 8.210 nan 0.000 0.441 5232 E N -0.249 119.882 120.200 -0.116 0.000 2.097 5232 E HA -0.279 4.074 4.350 0.004 0.000 0.196 5232 E C 2.303 178.825 176.600 -0.130 0.000 1.000 5232 E CA 2.103 58.409 56.400 -0.157 0.000 0.804 5232 E CB -0.657 28.934 29.700 -0.183 0.000 0.740 5232 E HN 0.567 nan 8.360 nan 0.000 0.454 5233 T N -1.204 113.291 114.554 -0.098 0.000 2.788 5233 T HA -0.124 4.228 4.350 0.004 0.000 0.268 5233 T C 1.802 176.457 174.700 -0.075 0.000 1.044 5233 T CA 1.446 63.498 62.100 -0.079 0.000 1.139 5233 T CB -0.402 68.430 68.868 -0.059 0.000 0.867 5233 T HN 0.136 nan 8.240 nan 0.000 0.454 5234 V N 1.115 120.977 119.914 -0.088 0.000 3.217 5234 V HA 0.144 4.267 4.120 0.004 0.000 0.264 5234 V C 2.074 178.129 176.094 -0.066 0.000 1.135 5234 V CA 1.205 63.445 62.300 -0.100 0.000 1.142 5234 V CB -0.438 31.314 31.823 -0.119 0.000 0.754 5234 V HN 0.535 nan 8.190 nan 0.000 0.484 5235 L N 0.112 121.304 121.223 -0.051 0.000 2.240 5235 L HA 0.074 4.417 4.340 0.004 0.000 0.211 5235 L C 2.276 179.177 176.870 0.052 0.000 1.106 5235 L CA 2.301 57.133 54.840 -0.013 0.000 0.793 5235 L CB -0.438 41.597 42.059 -0.041 0.000 0.927 5235 L HN 0.362 nan 8.230 nan 0.000 0.446 5236 S N -1.712 114.015 115.700 0.045 0.000 2.468 5236 S HA 0.060 4.532 4.470 0.004 0.000 0.226 5236 S C 1.566 176.268 174.600 0.170 0.000 1.051 5236 S CA 0.644 58.911 58.200 0.110 0.000 0.943 5236 S CB 0.147 63.313 63.200 -0.056 0.000 0.810 5236 S HN 0.382 nan 8.310 nan 0.000 0.509 5237 S N 1.600 117.329 115.700 0.049 0.000 2.795 5237 S HA 0.138 4.611 4.470 0.004 0.000 0.236 5237 S C 0.989 175.568 174.600 -0.035 0.000 0.973 5237 S CA 0.212 58.416 58.200 0.006 0.000 0.982 5237 S CB -0.196 62.956 63.200 -0.081 0.000 0.786 5237 S HN 0.371 nan 8.310 nan 0.000 0.538 5238 S N -0.750 114.962 115.700 0.020 0.000 2.490 5238 S HA 0.293 4.766 4.470 0.004 0.000 0.280 5238 S C 1.351 175.964 174.600 0.021 0.000 1.048 5238 S CA -0.440 57.750 58.200 -0.017 0.000 1.263 5238 S CB -0.016 63.152 63.200 -0.053 0.000 1.053 5238 S HN 0.318 nan 8.310 nan 0.000 0.538 5239 I N 2.771 123.401 120.570 0.100 0.000 2.099 5239 I HA -0.244 3.929 4.170 0.004 0.000 0.239 5239 I C 2.822 179.064 176.117 0.209 0.000 1.066 5239 I CA 1.554 62.917 61.300 0.105 0.000 1.324 5239 I CB -0.470 37.656 38.000 0.211 0.000 1.037 5239 I HN 0.361 nan 8.210 nan 0.000 0.401 5240 A N 0.740 123.653 122.820 0.155 0.000 1.940 5240 A HA -0.321 4.002 4.320 0.004 0.000 0.221 5240 A C 2.470 179.569 177.584 -0.809 0.000 1.190 5240 A CA 2.550 54.297 52.037 -0.484 0.000 0.647 5240 A CB -0.968 17.546 19.000 -0.811 0.000 0.821 5240 A HN 0.525 nan 8.150 nan 0.000 0.457 5241 A N -0.801 121.835 122.820 -0.306 0.000 1.872 5241 A HA 0.115 4.438 4.320 0.004 0.000 0.214 5241 A C 2.222 179.808 177.584 0.004 0.000 1.187 5241 A CA 1.597 53.542 52.037 -0.153 0.000 0.614 5241 A CB -1.022 17.927 19.000 -0.084 0.000 0.826 5241 A HN 0.498 nan 8.150 nan 0.000 0.442 5242 V N 0.302 120.252 119.914 0.060 0.000 2.220 5242 V HA -0.356 3.766 4.120 0.004 0.000 0.250 5242 V C 2.486 178.755 176.094 0.290 0.000 1.056 5242 V CA 2.525 64.948 62.300 0.204 0.000 1.016 5242 V CB -1.671 30.337 31.823 0.308 0.000 0.639 5242 V HN 0.779 nan 8.190 nan 0.000 0.446 5243 F N 1.133 121.332 119.950 0.414 0.000 2.269 5243 F HA -0.136 4.394 4.527 0.005 0.000 0.301 5243 F C 2.058 178.064 175.800 0.342 0.000 1.082 5243 F CA 1.196 59.408 58.000 0.353 0.000 1.360 5243 F CB -1.212 38.083 39.000 0.491 0.000 1.041 5243 F HN 0.167 nan 8.300 nan 0.000 0.512 5244 F N 2.169 121.860 119.950 -0.431 0.000 2.026 5244 F HA -0.083 4.447 4.527 0.004 0.000 0.296 5244 F C 2.459 178.329 175.800 0.116 0.000 1.133 5244 F CA 2.105 59.990 58.000 -0.192 0.000 1.188 5244 F CB -1.171 37.628 39.000 -0.334 0.000 0.968 5244 F HN 0.059 nan 8.300 nan 0.000 0.476 5245 A N 0.793 123.633 122.820 0.034 0.000 1.948 5245 A HA -0.155 4.167 4.320 0.004 0.000 0.220 5245 A C 2.423 180.007 177.584 -0.000 0.000 1.177 5245 A CA 2.343 54.373 52.037 -0.011 0.000 0.636 5245 A CB -1.749 17.355 19.000 0.173 0.000 0.815 5245 A HN 0.700 nan 8.150 nan 0.000 0.449 5246 A N -0.795 122.071 122.820 0.077 0.000 1.837 5246 A HA -0.137 4.186 4.320 0.004 0.000 0.216 5246 A C 1.901 179.506 177.584 0.035 0.000 1.210 5246 A CA 1.692 53.760 52.037 0.051 0.000 0.632 5246 A CB -1.198 17.782 19.000 -0.035 0.000 0.843 5246 A HN 0.539 nan 8.150 nan 0.000 0.448 5247 F N -0.011 119.984 119.950 0.074 0.000 2.204 5247 F HA -0.285 4.244 4.527 0.004 0.000 0.301 5247 F C 2.189 177.997 175.800 0.013 0.000 1.058 5247 F CA 1.620 59.647 58.000 0.045 0.000 1.313 5247 F CB -0.264 38.763 39.000 0.044 0.000 1.051 5247 F HN 0.105 nan 8.300 nan 0.000 0.505 5248 V N -1.912 118.064 119.914 0.104 0.000 2.535 5248 V HA -0.161 3.962 4.120 0.004 0.000 0.246 5248 V C 2.069 178.241 176.094 0.131 0.000 1.045 5248 V CA 1.136 63.476 62.300 0.068 0.000 1.058 5248 V CB -0.860 30.925 31.823 -0.063 0.000 0.689 5248 V HN 0.175 nan 8.190 nan 0.000 0.461 5249 V N 1.234 121.237 119.914 0.148 0.000 2.343 5249 V HA -0.153 3.969 4.120 0.004 0.000 0.247 5249 V C 2.645 178.910 176.094 0.286 0.000 1.051 5249 V CA 1.890 64.325 62.300 0.225 0.000 1.036 5249 V CB -1.376 30.631 31.823 0.307 0.000 0.654 5249 V HN 0.524 nan 8.190 nan 0.000 0.451 5250 A N 0.196 123.164 122.820 0.246 0.000 2.239 5250 A HA 0.268 4.591 4.320 0.004 0.000 0.209 5250 A C 2.048 179.791 177.584 0.265 0.000 1.171 5250 A CA 1.261 53.452 52.037 0.256 0.000 0.768 5250 A CB -0.657 18.439 19.000 0.160 0.000 0.790 5250 A HN 0.552 nan 8.150 nan 0.000 0.478 5251 G N -0.813 108.151 108.800 0.273 0.000 2.865 5251 G HA2 0.028 3.990 3.960 0.004 0.000 0.204 5251 G HA3 0.028 3.990 3.960 0.004 0.000 0.204 5251 G C 1.582 176.706 174.900 0.372 0.000 1.140 5251 G CA 1.093 46.413 45.100 0.367 0.000 0.842 5251 G HN 0.549 nan 8.290 nan 0.000 0.631 5252 T N -0.247 114.444 114.554 0.229 0.000 2.822 5252 T HA -0.146 4.207 4.350 0.004 0.000 0.270 5252 T C 2.325 177.079 174.700 0.089 0.000 1.064 5252 T CA 1.361 63.538 62.100 0.128 0.000 1.131 5252 T CB -0.223 68.674 68.868 0.049 0.000 0.858 5252 T HN 0.007 nan 8.240 nan 0.000 0.483 5253 M N -0.285 119.391 119.600 0.127 0.000 2.064 5253 M HA 0.095 4.577 4.480 0.004 0.000 0.260 5253 M C 2.223 178.553 176.300 0.050 0.000 1.073 5253 M CA 1.253 56.603 55.300 0.084 0.000 1.124 5253 M CB -1.193 31.526 32.600 0.198 0.000 1.326 5253 M HN 0.491 nan 8.290 nan 0.000 0.410 5254 W N 0.324 121.538 121.300 -0.144 0.000 2.363 5254 W HA -0.184 4.479 4.660 0.005 0.000 0.296 5254 W C -0.171 176.078 176.519 -0.449 0.000 1.212 5254 W CA 1.040 58.157 57.345 -0.380 0.000 1.260 5254 W CB -0.021 29.115 29.460 -0.540 0.000 1.131 5254 W HN 0.087 nan 8.180 nan 0.000 0.530 5255 Y N -0.091 120.361 120.300 0.254 0.000 2.534 5255 Y HA 0.535 5.088 4.550 0.004 0.000 0.329 5255 Y C 1.238 177.179 175.900 0.068 0.000 1.154 5255 Y CA -0.615 57.617 58.100 0.220 0.000 1.192 5255 Y CB -0.379 38.203 38.460 0.204 0.000 1.275 5255 Y HN -0.189 nan 8.280 nan 0.000 0.491 5256 G N 0.261 109.229 108.800 0.279 0.000 2.825 5256 G HA2 0.305 4.268 3.960 0.004 0.000 0.241 5256 G HA3 0.305 4.268 3.960 0.004 0.000 0.241 5256 G C -0.487 174.321 174.900 -0.154 0.000 1.239 5256 G CA 0.165 45.411 45.100 0.244 0.000 0.859 5256 G HN 0.573 nan 8.290 nan 0.000 0.598 5257 S N -1.501 114.011 115.700 -0.314 0.000 2.551 5257 S HA 0.414 4.886 4.470 0.004 0.000 0.325 5257 S C 0.786 175.220 174.600 -0.278 0.000 0.963 5257 S CA 0.525 58.461 58.200 -0.439 0.000 0.876 5257 S CB 0.404 63.471 63.200 -0.222 0.000 1.132 5257 S HN 1.695 nan 8.310 nan 0.000 0.458 5258 A N 3.141 125.807 122.820 -0.257 0.000 2.042 5258 A HA -0.110 4.213 4.320 0.004 0.000 0.222 5258 A C 2.267 179.802 177.584 -0.080 0.000 1.167 5258 A CA 2.771 54.759 52.037 -0.082 0.000 0.649 5258 A CB -1.250 17.726 19.000 -0.040 0.000 0.809 5258 A HN 1.451 nan 8.150 nan 0.000 0.457 5259 T N -2.490 112.001 114.554 -0.106 0.000 2.942 5259 T HA -0.036 4.316 4.350 0.004 0.000 0.265 5259 T C 1.135 175.702 174.700 -0.221 0.000 1.062 5259 T CA 1.668 63.724 62.100 -0.075 0.000 1.139 5259 T CB -0.845 68.022 68.868 -0.002 0.000 0.883 5259 T HN 0.658 nan 8.240 nan 0.000 0.468 5260 T N 0.711 115.064 114.554 -0.334 0.000 3.383 5260 T HA 0.556 4.909 4.350 0.004 0.000 0.324 5260 T C -2.721 171.536 174.700 -0.739 0.000 1.822 5260 T CA -1.938 59.746 62.100 -0.693 0.000 1.424 5260 T CB 0.364 68.981 68.868 -0.418 0.000 1.093 5260 T HN 0.128 nan 8.240 nan 0.000 0.748 5261 P HA 0.108 nan 4.420 nan 0.000 0.273 5261 P C 1.076 178.037 177.300 -0.566 0.000 1.248 5261 P CA -0.277 62.526 63.100 -0.494 0.000 0.817 5261 P CB 0.600 31.977 31.700 -0.539 0.000 0.995 5262 I N -0.880 119.495 120.570 -0.325 0.000 2.385 5262 I HA -0.055 4.118 4.170 0.004 0.000 0.244 5262 I C 1.793 177.659 176.117 -0.418 0.000 1.089 5262 I CA 1.028 62.116 61.300 -0.353 0.000 1.410 5262 I CB -0.895 37.038 38.000 -0.111 0.000 1.117 5262 I HN 0.290 nan 8.210 nan 0.000 0.429 5263 E N 1.196 121.304 120.200 -0.152 0.000 2.396 5263 E HA -0.135 4.218 4.350 0.004 0.000 0.200 5263 E C 2.048 178.553 176.600 -0.157 0.000 1.023 5263 E CA 0.894 57.310 56.400 0.026 0.000 0.857 5263 E CB 0.012 29.896 29.700 0.308 0.000 0.775 5263 E HN 0.532 nan 8.360 nan 0.000 0.525 5264 L N -1.503 119.433 121.223 -0.478 0.000 2.362 5264 L HA 0.115 4.458 4.340 0.004 0.000 0.204 5264 L C 1.708 178.733 176.870 0.259 0.000 1.060 5264 L CA 0.470 55.130 54.840 -0.300 0.000 0.827 5264 L CB 0.067 41.751 42.059 -0.626 0.000 1.027 5264 L HN 0.168 nan 8.230 nan 0.000 0.474 5265 F N -0.673 119.083 119.950 -0.323 0.000 2.653 5265 F HA 0.446 4.976 4.527 0.004 0.000 0.288 5265 F C 1.200 176.806 175.800 -0.324 0.000 1.121 5265 F CA 0.100 57.970 58.000 -0.217 0.000 1.384 5265 F CB 0.887 39.705 39.000 -0.303 0.000 1.115 5265 F HN 0.152 nan 8.300 nan 0.000 0.599 5266 G N 0.384 108.792 108.800 -0.653 0.000 2.340 5266 G HA2 0.156 4.118 3.960 0.004 0.000 0.282 5266 G HA3 0.156 4.118 3.960 0.004 0.000 0.282 5266 G C -3.360 170.941 174.900 -0.998 0.000 1.312 5266 G CA -1.094 43.201 45.100 -1.342 0.000 0.942 5266 G HN -0.253 nan 8.290 nan 0.000 0.495 5267 P HA 0.474 nan 4.420 nan 0.000 0.283 5267 P C -0.102 176.896 177.300 -0.503 0.000 1.271 5267 P CA -0.303 62.443 63.100 -0.591 0.000 0.841 5267 P CB 1.492 32.915 31.700 -0.461 0.000 1.122 5268 T N 0.492 114.800 114.554 -0.411 0.000 2.884 5268 T HA 0.075 4.428 4.350 0.004 0.000 0.298 5268 T C 1.452 175.807 174.700 -0.576 0.000 0.998 5268 T CA -0.346 61.456 62.100 -0.497 0.000 1.124 5268 T CB 0.051 68.717 68.868 -0.336 0.000 0.931 5268 T HN 0.310 nan 8.240 nan 0.000 0.531 5269 R N 3.169 123.099 120.500 -0.951 0.000 2.115 5269 R HA -0.172 4.170 4.340 0.004 0.000 0.239 5269 R C 0.824 176.764 176.300 -0.599 0.000 1.133 5269 R CA 2.059 57.590 56.100 -0.949 0.000 0.935 5269 R CB -1.100 28.279 30.300 -1.535 0.000 0.853 5269 R HN 0.886 nan 8.270 nan 0.000 0.433 5270 Y N 0.919 121.071 120.300 -0.247 0.000 2.497 5270 Y HA 0.045 4.597 4.550 0.004 0.000 0.345 5270 Y C 1.959 177.752 175.900 -0.178 0.000 1.204 5270 Y CA 0.320 58.338 58.100 -0.138 0.000 1.265 5270 Y CB -0.563 37.840 38.460 -0.094 0.000 1.121 5270 Y HN 0.294 nan 8.280 nan 0.000 0.493 5271 Q N -1.274 118.458 119.800 -0.114 0.000 2.350 5271 Q HA 0.008 4.351 4.340 0.004 0.000 0.225 5271 Q C 1.876 177.888 176.000 0.021 0.000 0.878 5271 Q CA 0.122 55.797 55.803 -0.214 0.000 0.935 5271 Q CB 0.014 28.507 28.738 -0.407 0.000 1.099 5271 Q HN 0.750 nan 8.270 nan 0.000 0.527 5272 W N 0.300 121.555 121.300 -0.075 0.000 2.640 5272 W HA -0.010 4.653 4.660 0.004 0.000 0.271 5272 W C 0.415 176.944 176.519 0.017 0.000 1.218 5272 W CA 0.574 57.933 57.345 0.024 0.000 1.382 5272 W CB 0.427 29.871 29.460 -0.027 0.000 1.067 5272 W HN 0.084 nan 8.180 nan 0.000 0.590 5273 D N 0.370 120.803 120.400 0.056 0.000 2.117 5273 D HA -0.184 4.458 4.640 0.004 0.000 0.197 5273 D C 2.076 178.350 176.300 -0.042 0.000 0.987 5273 D CA 1.484 55.466 54.000 -0.031 0.000 0.829 5273 D CB -0.650 40.230 40.800 0.134 0.000 0.961 5273 D HN 0.024 nan 8.370 nan 0.000 0.460 5274 S N -0.323 115.384 115.700 0.011 0.000 2.442 5274 S HA -0.124 4.349 4.470 0.004 0.000 0.236 5274 S C 1.027 175.639 174.600 0.019 0.000 1.007 5274 S CA 1.110 59.316 58.200 0.010 0.000 0.965 5274 S CB -0.023 63.170 63.200 -0.011 0.000 0.773 5274 S HN 0.209 nan 8.310 nan 0.000 0.504 5275 S N -1.815 113.883 115.700 -0.003 0.000 3.084 5275 S HA -0.244 4.229 4.470 0.004 0.000 0.277 5275 S C 0.528 175.199 174.600 0.118 0.000 1.295 5275 S CA 0.981 59.174 58.200 -0.012 0.000 1.170 5275 S CB -2.105 61.054 63.200 -0.068 0.000 1.412 5275 S HN 0.679 nan 8.310 nan 0.000 0.669 5276 Y N 2.008 122.283 120.300 -0.042 0.000 1.795 5276 Y HA -0.378 4.175 4.550 0.004 0.000 0.207 5276 Y C 1.741 177.714 175.900 0.123 0.000 1.043 5276 Y CA 2.288 60.355 58.100 -0.055 0.000 0.973 5276 Y CB -1.273 37.014 38.460 -0.289 0.000 0.847 5276 Y HN 0.334 nan 8.280 nan 0.000 0.548 5277 F N 0.285 120.348 119.950 0.189 0.000 2.118 5277 F HA -0.452 4.077 4.527 0.004 0.000 0.297 5277 F C 2.808 178.638 175.800 0.049 0.000 1.061 5277 F CA 1.864 59.939 58.000 0.125 0.000 1.268 5277 F CB -0.669 38.511 39.000 0.299 0.000 1.019 5277 F HN 0.374 nan 8.300 nan 0.000 0.492 5278 Q N 0.381 120.346 119.800 0.276 0.000 2.083 5278 Q HA -0.217 4.126 4.340 0.004 0.000 0.198 5278 Q C 2.089 178.124 176.000 0.057 0.000 0.969 5278 Q CA 1.346 57.255 55.803 0.176 0.000 0.838 5278 Q CB -0.161 28.674 28.738 0.162 0.000 0.900 5278 Q HN 0.506 nan 8.270 nan 0.000 0.436 5279 Q N -0.202 119.613 119.800 0.025 0.000 2.368 5279 Q HA -0.210 4.133 4.340 0.004 0.000 0.210 5279 Q C 1.489 177.446 176.000 -0.071 0.000 0.982 5279 Q CA 1.286 57.081 55.803 -0.014 0.000 0.884 5279 Q CB 0.139 28.884 28.738 0.012 0.000 0.933 5279 Q HN 0.294 nan 8.270 nan 0.000 0.460 5280 E N 1.012 121.135 120.200 -0.129 0.000 2.079 5280 E HA -0.077 4.276 4.350 0.004 0.000 0.191 5280 E C 1.795 178.236 176.600 -0.265 0.000 0.961 5280 E CA 0.628 56.851 56.400 -0.295 0.000 0.823 5280 E CB -0.116 29.169 29.700 -0.691 0.000 0.789 5280 E HN 0.401 nan 8.360 nan 0.000 0.459 5281 I N -0.496 119.975 120.570 -0.165 0.000 2.208 5281 I HA -0.208 3.965 4.170 0.004 0.000 0.245 5281 I C 2.315 178.320 176.117 -0.187 0.000 1.097 5281 I CA 1.479 62.698 61.300 -0.136 0.000 1.363 5281 I CB -0.687 37.326 38.000 0.022 0.000 1.051 5281 I HN 0.065 nan 8.210 nan 0.000 0.413 5282 N N 2.635 121.261 118.700 -0.124 0.000 2.028 5282 N HA -0.258 4.484 4.740 0.004 0.000 0.194 5282 N C 2.137 177.531 175.510 -0.194 0.000 1.050 5282 N CA 2.542 55.495 53.050 -0.161 0.000 0.848 5282 N CB -0.252 38.201 38.487 -0.057 0.000 1.038 5282 N HN 0.476 nan 8.380 nan 0.000 0.423 5283 R N 1.236 121.650 120.500 -0.143 0.000 2.185 5283 R HA -0.048 4.294 4.340 0.004 0.000 0.247 5283 R C 2.116 178.320 176.300 -0.160 0.000 1.159 5283 R CA 1.340 57.362 56.100 -0.130 0.000 0.988 5283 R CB -0.505 29.734 30.300 -0.101 0.000 0.871 5283 R HN 0.246 nan 8.270 nan 0.000 0.458 5284 R N -0.022 120.357 120.500 -0.202 0.000 2.062 5284 R HA 0.005 4.348 4.340 0.004 0.000 0.229 5284 R C 2.264 178.419 176.300 -0.241 0.000 1.128 5284 R CA 1.336 57.313 56.100 -0.204 0.000 0.960 5284 R CB -0.580 29.590 30.300 -0.217 0.000 0.855 5284 R HN 0.203 nan 8.270 nan 0.000 0.432 5285 V N 1.076 120.774 119.914 -0.360 0.000 2.594 5285 V HA -0.247 3.876 4.120 0.004 0.000 0.253 5285 V C 2.030 177.924 176.094 -0.334 0.000 1.069 5285 V CA 1.774 63.778 62.300 -0.494 0.000 1.082 5285 V CB -0.094 31.142 31.823 -0.978 0.000 0.680 5285 V HN 0.257 nan 8.190 nan 0.000 0.469 5286 Q N 0.079 119.730 119.800 -0.248 0.000 2.096 5286 Q HA 0.055 4.398 4.340 0.004 0.000 0.197 5286 Q C 2.200 178.127 176.000 -0.122 0.000 0.964 5286 Q CA 2.025 57.733 55.803 -0.159 0.000 0.838 5286 Q CB -0.577 28.089 28.738 -0.119 0.000 0.906 5286 Q HN 0.686 nan 8.270 nan 0.000 0.444 5287 A N -0.600 122.148 122.820 -0.120 0.000 1.858 5287 A HA -0.166 4.157 4.320 0.004 0.000 0.216 5287 A C 2.302 179.833 177.584 -0.088 0.000 1.190 5287 A CA 1.919 53.902 52.037 -0.090 0.000 0.617 5287 A CB -0.868 18.081 19.000 -0.086 0.000 0.827 5287 A HN 0.385 nan 8.150 nan 0.000 0.443 5288 S N -0.373 115.260 115.700 -0.112 0.000 2.370 5288 S HA -0.123 4.350 4.470 0.004 0.000 0.226 5288 S C 1.911 176.457 174.600 -0.090 0.000 1.033 5288 S CA 1.369 59.510 58.200 -0.098 0.000 1.011 5288 S CB -0.471 62.657 63.200 -0.120 0.000 0.852 5288 S HN 0.509 nan 8.310 nan 0.000 0.457 5289 L N 1.190 122.341 121.223 -0.119 0.000 2.005 5289 L HA -0.082 4.261 4.340 0.004 0.000 0.207 5289 L C 2.552 179.384 176.870 -0.063 0.000 1.072 5289 L CA 1.404 56.187 54.840 -0.095 0.000 0.744 5289 L CB -0.684 41.302 42.059 -0.121 0.000 0.895 5289 L HN 0.368 nan 8.230 nan 0.000 0.433 5290 A N -0.957 121.824 122.820 -0.065 0.000 2.076 5290 A HA -0.108 4.215 4.320 0.004 0.000 0.220 5290 A C 1.677 179.239 177.584 -0.036 0.000 1.160 5290 A CA 1.422 53.432 52.037 -0.045 0.000 0.653 5290 A CB -0.395 18.578 19.000 -0.046 0.000 0.801 5290 A HN 0.510 nan 8.150 nan 0.000 0.455 5291 S N -1.673 114.003 115.700 -0.040 0.000 2.495 5291 S HA 0.480 4.953 4.470 0.004 0.000 0.273 5291 S C 0.921 175.507 174.600 -0.023 0.000 1.156 5291 S CA -0.033 58.149 58.200 -0.029 0.000 1.032 5291 S CB 0.391 63.572 63.200 -0.031 0.000 1.160 5291 S HN 0.543 nan 8.310 nan 0.000 0.489 5292 G N 0.512 109.302 108.800 -0.017 0.000 2.985 5292 G HA2 0.532 4.495 3.960 0.004 0.000 0.282 5292 G HA3 0.532 4.495 3.960 0.004 0.000 0.282 5292 G C -0.493 174.403 174.900 -0.006 0.000 0.791 5292 G CA 0.144 45.239 45.100 -0.010 0.000 1.934 5292 G HN 0.766 nan 8.290 nan 0.000 0.563 5293 A N 1.412 124.227 122.820 -0.008 0.000 2.605 5293 A HA 0.762 5.085 4.320 0.004 0.000 0.294 5293 A C -0.299 177.288 177.584 0.005 0.000 1.062 5293 A CA -0.510 51.528 52.037 0.001 0.000 0.682 5293 A CB 1.271 20.267 19.000 -0.007 0.000 1.278 5293 A HN 0.589 nan 8.150 nan 0.000 0.410 5294 T N 0.733 115.304 114.554 0.029 0.000 2.913 5294 T HA 0.370 4.723 4.350 0.004 0.000 0.287 5294 T C 1.415 176.150 174.700 0.059 0.000 1.008 5294 T CA 0.071 62.196 62.100 0.041 0.000 1.067 5294 T CB 0.313 69.220 68.868 0.066 0.000 0.996 5294 T HN 1.567 nan 8.240 nan 0.000 0.513 5295 L N 3.445 124.689 121.223 0.035 0.000 2.151 5295 L HA -0.103 4.239 4.340 0.004 0.000 0.215 5295 L C 2.122 179.130 176.870 0.230 0.000 1.084 5295 L CA 2.377 57.233 54.840 0.027 0.000 0.764 5295 L CB -0.894 41.068 42.059 -0.163 0.000 0.891 5295 L HN 0.918 nan 8.230 nan 0.000 0.435 5296 E N -0.644 119.726 120.200 0.282 0.000 2.033 5296 E HA -0.183 4.170 4.350 0.004 0.000 0.189 5296 E C 1.999 178.775 176.600 0.295 0.000 0.979 5296 E CA 0.982 57.633 56.400 0.418 0.000 0.802 5296 E CB -0.141 29.752 29.700 0.320 0.000 0.763 5296 E HN 0.667 nan 8.360 nan 0.000 0.449 5297 E N 0.182 120.489 120.200 0.178 0.000 2.265 5297 E HA -0.180 4.173 4.350 0.004 0.000 0.196 5297 E C 1.825 178.493 176.600 0.113 0.000 0.996 5297 E CA 0.554 57.031 56.400 0.128 0.000 0.832 5297 E CB -0.010 29.736 29.700 0.075 0.000 0.756 5297 E HN 0.292 nan 8.360 nan 0.000 0.491 5298 A N 0.736 123.612 122.820 0.093 0.000 1.855 5298 A HA -0.170 4.153 4.320 0.004 0.000 0.215 5298 A C 1.671 179.214 177.584 -0.068 0.000 1.191 5298 A CA 1.144 53.152 52.037 -0.048 0.000 0.613 5298 A CB -0.962 17.930 19.000 -0.179 0.000 0.829 5298 A HN 0.331 nan 8.150 nan 0.000 0.442 5299 W N 0.518 121.904 121.300 0.143 0.000 2.388 5299 W HA -0.037 4.625 4.660 0.004 0.000 0.294 5299 W C 2.718 179.407 176.519 0.283 0.000 1.212 5299 W CA 1.169 58.655 57.345 0.236 0.000 1.271 5299 W CB -0.594 29.070 29.460 0.340 0.000 1.126 5299 W HN 0.250 nan 8.180 nan 0.000 0.535 5300 S N 0.701 116.663 115.700 0.438 0.000 2.389 5300 S HA -0.341 4.131 4.470 0.004 0.000 0.231 5300 S C 2.022 176.767 174.600 0.242 0.000 1.052 5300 S CA 1.876 60.269 58.200 0.322 0.000 1.053 5300 S CB -1.016 62.309 63.200 0.209 0.000 0.886 5300 S HN 0.333 nan 8.310 nan 0.000 0.456 5301 A N 1.440 124.350 122.820 0.150 0.000 1.865 5301 A HA -0.003 4.320 4.320 0.004 0.000 0.217 5301 A C 1.072 178.683 177.584 0.044 0.000 1.191 5301 A CA 0.869 52.944 52.037 0.063 0.000 0.623 5301 A CB -0.751 18.245 19.000 -0.006 0.000 0.826 5301 A HN 0.482 nan 8.150 nan 0.000 0.444 5302 I N 2.520 123.113 120.570 0.038 0.000 2.742 5302 I HA 0.014 4.187 4.170 0.004 0.000 0.287 5302 I C -1.895 174.193 176.117 -0.048 0.000 1.186 5302 I CA -1.033 60.245 61.300 -0.036 0.000 1.417 5302 I CB 0.503 38.478 38.000 -0.041 0.000 1.377 5302 I HN 0.285 nan 8.210 nan 0.000 0.556 5303 P HA 0.144 nan 4.420 nan 0.000 0.281 5303 P C 0.290 177.505 177.300 -0.142 0.000 1.249 5303 P CA -0.415 62.649 63.100 -0.061 0.000 0.810 5303 P CB 1.183 32.861 31.700 -0.037 0.000 1.008 5304 E N 1.841 122.003 120.200 -0.064 0.000 2.110 5304 E HA -0.293 4.059 4.350 0.004 0.000 0.225 5304 E C 1.670 178.262 176.600 -0.013 0.000 1.063 5304 E CA 1.942 58.334 56.400 -0.015 0.000 0.906 5304 E CB -0.882 28.864 29.700 0.077 0.000 0.795 5304 E HN 0.475 nan 8.360 nan 0.000 0.479 5305 K N 0.850 121.227 120.400 -0.038 0.000 2.071 5305 K HA -0.178 4.145 4.320 0.004 0.000 0.217 5305 K C 2.335 178.769 176.600 -0.278 0.000 1.054 5305 K CA 1.587 57.815 56.287 -0.097 0.000 0.937 5305 K CB -0.772 31.656 32.500 -0.120 0.000 0.719 5305 K HN 0.143 nan 8.250 nan 0.000 0.454 5306 L N -0.644 120.410 121.223 -0.282 0.000 2.042 5306 L HA -0.216 4.127 4.340 0.004 0.000 0.210 5306 L C 2.277 179.021 176.870 -0.211 0.000 1.076 5306 L CA 1.511 56.163 54.840 -0.312 0.000 0.749 5306 L CB -0.482 41.446 42.059 -0.218 0.000 0.893 5306 L HN 0.414 nan 8.230 nan 0.000 0.432 5307 A N -0.466 122.244 122.820 -0.182 0.000 1.865 5307 A HA -0.314 4.009 4.320 0.004 0.000 0.217 5307 A C 2.114 179.877 177.584 0.298 0.000 1.191 5307 A CA 1.771 53.752 52.037 -0.093 0.000 0.623 5307 A CB -1.110 17.418 19.000 -0.788 0.000 0.826 5307 A HN 0.455 nan 8.150 nan 0.000 0.444 5308 F N -0.310 119.758 119.950 0.197 0.000 2.184 5308 F HA -0.254 4.276 4.527 0.005 0.000 0.301 5308 F C 2.075 177.916 175.800 0.067 0.000 1.076 5308 F CA 1.450 59.328 58.000 -0.202 0.000 1.295 5308 F CB -0.571 38.213 39.000 -0.359 0.000 1.026 5308 F HN 0.432 nan 8.300 nan 0.000 0.494 5309 Y N -1.053 119.075 120.300 -0.287 0.000 2.293 5309 Y HA -0.197 4.355 4.550 0.005 0.000 0.291 5309 Y C 1.733 177.281 175.900 -0.586 0.000 1.137 5309 Y CA 0.560 58.231 58.100 -0.716 0.000 1.202 5309 Y CB -0.280 37.266 38.460 -1.523 0.000 0.990 5309 Y HN -0.065 nan 8.280 nan 0.000 0.537 5310 D N -0.406 119.959 120.400 -0.058 0.000 2.346 5310 D HA -0.083 4.560 4.640 0.004 0.000 0.248 5310 D C -0.600 175.949 176.300 0.415 0.000 1.173 5310 D CA 0.093 54.316 54.000 0.372 0.000 0.878 5310 D CB -0.421 40.656 40.800 0.461 0.000 0.919 5310 D HN 0.130 nan 8.370 nan 0.000 0.513 5311 Y N -0.056 120.246 120.300 0.004 0.000 2.419 5311 Y HA 0.302 4.854 4.550 0.005 0.000 0.328 5311 Y C 0.691 176.338 175.900 -0.422 0.000 1.162 5311 Y CA -1.151 56.902 58.100 -0.078 0.000 1.174 5311 Y CB 0.962 39.355 38.460 -0.110 0.000 1.228 5311 Y HN -0.071 nan 8.280 nan 0.000 0.473 5312 I N 2.394 122.226 120.570 -1.230 0.000 2.480 5312 I HA 0.080 4.253 4.170 0.004 0.000 0.251 5312 I C 1.865 177.359 176.117 -1.038 0.000 1.124 5312 I CA 1.377 61.859 61.300 -1.364 0.000 1.444 5312 I CB -0.331 36.989 38.000 -1.133 0.000 1.098 5312 I HN 0.956 nan 8.210 nan 0.000 0.428 5313 G N 1.061 109.033 108.800 -1.379 0.000 2.601 5313 G HA2 -0.221 3.741 3.960 0.004 0.000 0.214 5313 G HA3 -0.221 3.741 3.960 0.004 0.000 0.214 5313 G C 0.804 175.623 174.900 -0.135 0.000 1.132 5313 G CA 0.538 45.391 45.100 -0.411 0.000 0.761 5313 G HN 0.454 nan 8.290 nan 0.000 0.550 5314 N N -0.071 118.431 118.700 -0.330 0.000 2.299 5314 N HA 0.046 4.789 4.740 0.004 0.000 0.246 5314 N C -0.646 174.636 175.510 -0.381 0.000 1.254 5314 N CA -0.195 52.740 53.050 -0.192 0.000 0.879 5314 N CB 0.364 38.739 38.487 -0.186 0.000 1.214 5314 N HN 0.294 nan 8.380 nan 0.000 0.510 5315 N N 1.538 119.951 118.700 -0.479 0.000 2.425 5315 N HA 0.197 4.939 4.740 0.004 0.000 0.268 5315 N C -1.922 173.318 175.510 -0.449 0.000 0.991 5315 N CA -1.766 50.984 53.050 -0.499 0.000 0.931 5315 N CB 2.266 40.380 38.487 -0.622 0.000 1.130 5315 N HN -0.177 nan 8.380 nan 0.000 0.493 5316 P HA -0.105 nan 4.420 nan 0.000 0.216 5316 P C 0.919 177.996 177.300 -0.371 0.000 1.150 5316 P CA 0.886 63.750 63.100 -0.394 0.000 0.837 5316 P CB 0.175 31.561 31.700 -0.524 0.000 0.786 5317 A N -0.126 122.452 122.820 -0.404 0.000 2.093 5317 A HA -0.218 4.105 4.320 0.004 0.000 0.222 5317 A C 1.889 179.268 177.584 -0.341 0.000 1.162 5317 A CA 1.636 53.492 52.037 -0.302 0.000 0.655 5317 A CB -0.914 17.917 19.000 -0.282 0.000 0.805 5317 A HN 0.078 nan 8.150 nan 0.000 0.461 5318 K N -0.026 120.099 120.400 -0.458 0.000 2.404 5318 K HA 0.116 4.439 4.320 0.004 0.000 0.194 5318 K C 1.377 177.709 176.600 -0.445 0.000 1.023 5318 K CA 0.552 56.487 56.287 -0.586 0.000 1.094 5318 K CB -0.543 31.272 32.500 -1.141 0.000 0.841 5318 K HN 0.426 nan 8.250 nan 0.000 0.523 5319 G N 0.631 109.240 108.800 -0.318 0.000 2.421 5319 G HA2 0.276 4.238 3.960 0.004 0.000 0.238 5319 G HA3 0.276 4.238 3.960 0.004 0.000 0.238 5319 G C -0.021 174.799 174.900 -0.134 0.000 1.544 5319 G CA 0.258 45.246 45.100 -0.187 0.000 1.044 5319 G HN 0.316 nan 8.290 nan 0.000 0.537 5320 G N -2.840 105.872 108.800 -0.147 0.000 2.596 5320 G HA2 0.459 4.422 3.960 0.004 0.000 0.296 5320 G HA3 0.459 4.422 3.960 0.004 0.000 0.296 5320 G C 0.188 174.997 174.900 -0.150 0.000 1.513 5320 G CA 0.027 45.051 45.100 -0.126 0.000 0.851 5320 G HN 0.919 nan 8.290 nan 0.000 0.548 5321 L N 0.992 122.045 121.223 -0.283 0.000 2.129 5321 L HA 0.224 4.566 4.340 0.004 0.000 0.212 5321 L C 1.329 178.190 176.870 -0.016 0.000 1.087 5321 L CA 1.867 56.491 54.840 -0.360 0.000 0.757 5321 L CB -0.433 41.200 42.059 -0.710 0.000 0.896 5321 L HN 0.543 nan 8.230 nan 0.000 0.434 5322 F N -0.978 119.027 119.950 0.092 0.000 2.850 5322 F HA 0.305 4.834 4.527 0.003 0.000 0.306 5322 F C 0.619 176.504 175.800 0.142 0.000 1.162 5322 F CA -0.831 57.244 58.000 0.125 0.000 1.327 5322 F CB 0.194 39.239 39.000 0.074 0.000 0.953 5322 F HN -0.186 nan 8.300 nan 0.000 0.507 5323 R N 1.076 121.805 120.500 0.381 0.000 3.657 5323 R HA 0.045 4.388 4.340 0.004 0.000 0.220 5323 R C 0.926 177.425 176.300 0.333 0.000 1.548 5323 R CA -0.130 56.153 56.100 0.305 0.000 1.465 5323 R CB -0.376 30.083 30.300 0.265 0.000 1.330 5323 R HN 0.053 nan 8.270 nan 0.000 0.707 5324 T N -0.955 113.743 114.554 0.240 0.000 4.302 5324 T HA 0.230 4.583 4.350 0.004 0.000 0.215 5324 T C 0.552 175.313 174.700 0.101 0.000 0.743 5324 T CA 0.406 62.588 62.100 0.138 0.000 2.138 5324 T CB -0.474 68.431 68.868 0.063 0.000 1.275 5324 T HN 0.483 nan 8.240 nan 0.000 0.664 5325 G N 2.236 111.119 108.800 0.138 0.000 2.340 5325 G HA2 0.453 4.415 3.960 0.004 0.000 0.298 5325 G HA3 0.453 4.415 3.960 0.004 0.000 0.298 5325 G C -3.356 171.646 174.900 0.171 0.000 1.498 5325 G CA -1.143 44.027 45.100 0.118 0.000 0.847 5325 G HN 0.206 nan 8.290 nan 0.000 0.594 5326 P HA 0.026 nan 4.420 nan 0.000 0.264 5326 P C 1.632 179.038 177.300 0.177 0.000 1.193 5326 P CA 0.107 63.303 63.100 0.160 0.000 0.763 5326 P CB 0.633 32.394 31.700 0.101 0.000 0.810 5327 M N 1.940 121.672 119.600 0.220 0.000 2.186 5327 M HA -0.328 4.155 4.480 0.004 0.000 0.249 5327 M C 1.685 178.105 176.300 0.201 0.000 1.081 5327 M CA 2.153 57.592 55.300 0.231 0.000 1.072 5327 M CB -1.194 31.554 32.600 0.245 0.000 1.318 5327 M HN 0.436 nan 8.290 nan 0.000 0.405 5328 N N 0.523 119.303 118.700 0.134 0.000 2.132 5328 N HA -0.203 4.540 4.740 0.004 0.000 0.191 5328 N C 1.559 177.141 175.510 0.120 0.000 1.015 5328 N CA 1.554 54.667 53.050 0.106 0.000 0.864 5328 N CB -0.429 38.072 38.487 0.024 0.000 1.006 5328 N HN 0.311 nan 8.380 nan 0.000 0.430 5329 K N 0.977 121.445 120.400 0.114 0.000 2.147 5329 K HA -0.030 4.293 4.320 0.004 0.000 0.205 5329 K C 1.792 178.463 176.600 0.118 0.000 1.049 5329 K CA 1.343 57.691 56.287 0.101 0.000 0.936 5329 K CB -0.788 31.771 32.500 0.098 0.000 0.722 5329 K HN 0.158 nan 8.250 nan 0.000 0.446 5330 G N 0.845 109.741 108.800 0.161 0.000 2.616 5330 G HA2 -0.234 3.729 3.960 0.004 0.000 0.215 5330 G HA3 -0.234 3.729 3.960 0.004 0.000 0.215 5330 G C 1.039 176.011 174.900 0.120 0.000 1.284 5330 G CA 0.960 46.157 45.100 0.161 0.000 0.823 5330 G HN 0.553 nan 8.290 nan 0.000 0.569 5331 D N -0.212 120.311 120.400 0.206 0.000 2.289 5331 D HA 0.328 4.970 4.640 0.004 0.000 0.207 5331 D C 1.267 177.757 176.300 0.316 0.000 0.966 5331 D CA 0.937 55.023 54.000 0.142 0.000 0.868 5331 D CB -0.192 40.786 40.800 0.296 0.000 0.943 5331 D HN 0.938 nan 8.370 nan 0.000 0.514 5332 G N -0.277 108.756 108.800 0.387 0.000 2.459 5332 G HA2 -0.084 3.879 3.960 0.004 0.000 0.685 5332 G HA3 -0.084 3.879 3.960 0.004 0.000 0.685 5332 G C -0.932 174.103 174.900 0.225 0.000 1.303 5332 G CA -0.596 44.697 45.100 0.323 0.000 0.907 5332 G HN 0.200 nan 8.290 nan 0.000 0.632 5333 I N 1.908 122.507 120.570 0.048 0.000 2.574 5333 I HA 0.288 4.461 4.170 0.004 0.000 0.291 5333 I C 1.594 177.543 176.117 -0.280 0.000 1.131 5333 I CA 0.432 61.670 61.300 -0.104 0.000 1.352 5333 I CB 0.428 38.364 38.000 -0.107 0.000 1.431 5333 I HN 0.926 nan 8.210 nan 0.000 0.543 5334 A N 7.620 130.133 122.820 -0.511 0.000 2.515 5334 A HA -0.061 4.262 4.320 0.004 0.000 0.276 5334 A C 1.215 178.477 177.584 -0.536 0.000 1.104 5334 A CA 0.175 51.690 52.037 -0.870 0.000 0.822 5334 A CB -0.006 18.424 19.000 -0.950 0.000 1.016 5334 A HN 0.745 nan 8.150 nan 0.000 0.530 5335 Q N 0.957 120.542 119.800 -0.359 0.000 2.165 5335 Q HA 0.332 4.675 4.340 0.004 0.000 0.197 5335 Q C 0.745 176.692 176.000 -0.089 0.000 0.952 5335 Q CA 1.538 57.232 55.803 -0.182 0.000 0.848 5335 Q CB 0.127 28.809 28.738 -0.093 0.000 0.931 5335 Q HN 1.085 nan 8.270 nan 0.000 0.470 5336 A N -1.000 121.841 122.820 0.034 0.000 2.540 5336 A HA 0.416 4.739 4.320 0.004 0.000 0.291 5336 A C -2.171 175.570 177.584 0.261 0.000 1.083 5336 A CA -0.713 51.413 52.037 0.149 0.000 0.650 5336 A CB 0.064 19.102 19.000 0.063 0.000 1.292 5336 A HN 0.159 nan 8.150 nan 0.000 0.435 5337 W N 1.466 122.674 121.300 -0.153 0.000 2.361 5337 W HA 0.597 5.260 4.660 0.004 0.000 0.309 5337 W C 0.532 176.894 176.519 -0.262 0.000 1.122 5337 W CA -0.595 56.373 57.345 -0.629 0.000 1.208 5337 W CB 1.502 30.662 29.460 -0.501 0.000 1.246 5337 W HN 0.721 nan 8.180 nan 0.000 0.490 5338 K N 4.104 124.205 120.400 -0.498 0.000 2.418 5338 K HA 0.274 4.597 4.320 0.004 0.000 0.195 5338 K C 0.617 176.855 176.600 -0.604 0.000 1.035 5338 K CA 0.787 56.861 56.287 -0.355 0.000 1.003 5338 K CB -0.092 32.385 32.500 -0.039 0.000 0.793 5338 K HN 0.729 nan 8.250 nan 0.000 0.494 5339 G N 1.740 109.547 108.800 -1.655 0.000 2.907 5339 G HA2 -0.213 3.749 3.960 0.004 0.000 0.686 5339 G HA3 -0.213 3.749 3.960 0.004 0.000 0.686 5339 G C -0.913 173.436 174.900 -0.918 0.000 1.115 5339 G CA -0.820 43.167 45.100 -1.855 0.000 0.760 5339 G HN 0.381 nan 8.290 nan 0.000 0.620 5340 H N 1.119 119.798 119.070 -0.652 0.000 2.972 5340 H HA 0.510 5.069 4.556 0.005 0.000 0.343 5340 H C 0.304 175.244 175.328 -0.647 0.000 1.054 5340 H CA 1.224 57.039 56.048 -0.389 0.000 1.412 5340 H CB 1.180 30.573 29.762 -0.615 0.000 1.385 5340 H HN 1.500 nan 8.280 nan 0.000 0.600 5341 A N 5.694 127.991 122.820 -0.871 0.000 2.359 5341 A HA 0.463 4.785 4.320 0.004 0.000 0.303 5341 A C -0.808 176.565 177.584 -0.352 0.000 1.066 5341 A CA -0.498 51.102 52.037 -0.728 0.000 0.730 5341 A CB 1.016 19.137 19.000 -1.466 0.000 1.211 5341 A HN 0.560 nan 8.150 nan 0.000 0.439 5342 V N 0.383 120.291 119.914 -0.010 0.000 2.435 5342 V HA 0.715 4.837 4.120 0.004 0.000 0.290 5342 V C -0.453 175.831 176.094 0.317 0.000 1.030 5342 V CA -0.725 61.626 62.300 0.084 0.000 0.881 5342 V CB 0.573 32.480 31.823 0.140 0.000 0.983 5342 V HN 0.640 nan 8.190 nan 0.000 0.445 5343 F N 3.081 122.984 119.950 -0.078 0.000 2.399 5343 F HA 0.737 5.266 4.527 0.004 0.000 0.334 5343 F C 0.780 176.514 175.800 -0.109 0.000 1.097 5343 F CA -0.998 56.960 58.000 -0.070 0.000 1.076 5343 F CB 1.780 40.750 39.000 -0.051 0.000 1.162 5343 F HN 0.514 nan 8.300 nan 0.000 0.495 5344 R N 0.995 121.559 120.500 0.107 0.000 3.045 5344 R HA 0.439 4.782 4.340 0.004 0.000 0.245 5344 R C -0.770 175.520 176.300 -0.017 0.000 1.333 5344 R CA -0.938 55.169 56.100 0.011 0.000 1.036 5344 R CB 2.012 32.318 30.300 0.010 0.000 1.340 5344 R HN 0.804 nan 8.270 nan 0.000 0.488 5345 N N -0.410 118.272 118.700 -0.030 0.000 3.439 5345 N HA 0.120 4.863 4.740 0.004 0.000 0.343 5345 N C 0.223 175.718 175.510 -0.025 0.000 1.597 5345 N CA -0.564 52.462 53.050 -0.040 0.000 0.733 5345 N CB 0.529 38.985 38.487 -0.052 0.000 1.973 5345 N HN 0.292 nan 8.380 nan 0.000 0.646 5346 K N 0.658 121.044 120.400 -0.025 0.000 1.980 5346 K HA -0.186 4.136 4.320 0.004 0.000 0.223 5346 K C 1.496 178.086 176.600 -0.016 0.000 1.052 5346 K CA 2.375 58.652 56.287 -0.017 0.000 0.974 5346 K CB -0.818 31.671 32.500 -0.017 0.000 0.734 5346 K HN 0.557 nan 8.250 nan 0.000 0.447 5347 E N -0.982 119.206 120.200 -0.020 0.000 2.208 5347 E HA -0.128 4.225 4.350 0.004 0.000 0.202 5347 E C 1.155 177.745 176.600 -0.017 0.000 1.014 5347 E CA 1.821 58.210 56.400 -0.018 0.000 0.819 5347 E CB -0.441 29.246 29.700 -0.021 0.000 0.735 5347 E HN 0.686 nan 8.360 nan 0.000 0.469 5348 G N -0.001 108.787 108.800 -0.019 0.000 2.141 5348 G HA2 -0.303 3.659 3.960 0.004 0.000 0.231 5348 G HA3 -0.303 3.659 3.960 0.004 0.000 0.231 5348 G C -0.335 174.548 174.900 -0.028 0.000 0.984 5348 G CA 0.130 45.220 45.100 -0.017 0.000 0.660 5348 G HN 0.315 nan 8.290 nan 0.000 0.525 5349 E N 0.582 120.759 120.200 -0.038 0.000 2.384 5349 E HA 0.260 4.613 4.350 0.004 0.000 0.266 5349 E C 0.359 176.901 176.600 -0.097 0.000 1.012 5349 E CA -0.207 56.159 56.400 -0.056 0.000 0.901 5349 E CB 0.810 30.483 29.700 -0.047 0.000 0.967 5349 E HN 0.423 nan 8.360 nan 0.000 0.435 5350 E N 3.890 124.000 120.200 -0.150 0.000 1.858 5350 E HA 0.028 4.381 4.350 0.004 0.000 0.267 5350 E C -0.714 175.590 176.600 -0.493 0.000 1.215 5350 E CA -0.429 55.805 56.400 -0.277 0.000 0.952 5350 E CB 0.050 29.572 29.700 -0.296 0.000 1.058 5350 E HN 0.268 nan 8.360 nan 0.000 0.407 5351 L N 3.606 124.628 121.223 -0.335 0.000 2.476 5351 L HA 0.251 4.594 4.340 0.004 0.000 0.255 5351 L C -0.258 176.311 176.870 -0.501 0.000 1.218 5351 L CA 0.427 55.084 54.840 -0.305 0.000 0.819 5351 L CB 0.252 42.252 42.059 -0.099 0.000 1.119 5351 L HN 0.408 nan 8.230 nan 0.000 0.485 5352 F N -0.755 119.157 119.950 -0.063 0.000 2.565 5352 F HA 0.471 5.001 4.527 0.004 0.000 0.313 5352 F C -0.435 175.299 175.800 -0.111 0.000 1.091 5352 F CA -1.300 56.630 58.000 -0.117 0.000 0.915 5352 F CB 1.697 40.677 39.000 -0.033 0.000 1.208 5352 F HN 0.096 nan 8.300 nan 0.000 0.453 5353 V N 1.350 121.293 119.914 0.048 0.000 2.389 5353 V HA 0.541 4.664 4.120 0.004 0.000 0.264 5353 V C 0.153 176.321 176.094 0.123 0.000 1.049 5353 V CA -0.848 61.484 62.300 0.053 0.000 0.932 5353 V CB 0.556 32.359 31.823 -0.033 0.000 1.011 5353 V HN 0.698 nan 8.190 nan 0.000 0.475 5354 R N 5.265 125.860 120.500 0.158 0.000 2.421 5354 R HA 0.226 4.569 4.340 0.004 0.000 0.305 5354 R C 0.494 176.945 176.300 0.252 0.000 1.039 5354 R CA 0.352 56.558 56.100 0.177 0.000 1.003 5354 R CB 0.043 30.451 30.300 0.180 0.000 0.959 5354 R HN 0.847 nan 8.270 nan 0.000 0.427 5355 R N 3.692 124.283 120.500 0.152 0.000 2.649 5355 R HA 0.194 4.537 4.340 0.004 0.000 0.270 5355 R C 0.249 176.477 176.300 -0.120 0.000 1.105 5355 R CA -0.504 55.649 56.100 0.089 0.000 1.193 5355 R CB 0.476 30.754 30.300 -0.036 0.000 1.120 5355 R HN 0.543 nan 8.270 nan 0.000 0.561 5356 M N 2.397 121.869 119.600 -0.214 0.000 2.080 5356 M HA 0.358 4.841 4.480 0.004 0.000 0.350 5356 M C -2.521 173.675 176.300 -0.174 0.000 1.173 5356 M CA -1.729 53.208 55.300 -0.605 0.000 1.052 5356 M CB 1.465 33.861 32.600 -0.340 0.000 1.577 5356 M HN 0.229 nan 8.290 nan 0.000 0.455 5357 P HA 0.460 nan 4.420 nan 0.000 0.293 5357 P C -0.180 177.139 177.300 0.032 0.000 1.291 5357 P CA -0.191 62.889 63.100 -0.034 0.000 0.867 5357 P CB 1.505 33.153 31.700 -0.086 0.000 1.074 5358 A N 2.830 125.717 122.820 0.112 0.000 3.214 5358 A HA -0.362 3.960 4.320 0.004 0.000 0.519 5358 A C 1.558 179.127 177.584 -0.025 0.000 1.190 5358 A CA 2.709 54.762 52.037 0.027 0.000 1.775 5358 A CB -2.437 16.573 19.000 0.017 0.000 1.015 5358 A HN 0.632 nan 8.150 nan 0.000 0.582 5359 F N -1.620 118.154 119.950 -0.293 0.000 2.090 5359 F HA -0.273 4.256 4.527 0.004 0.000 0.291 5359 F C 0.963 176.635 175.800 -0.214 0.000 1.046 5359 F CA 1.430 59.239 58.000 -0.319 0.000 1.290 5359 F CB -0.980 37.745 39.000 -0.459 0.000 1.021 5359 F HN 0.240 nan 8.300 nan 0.000 0.493 5360 F N 1.126 121.187 119.950 0.185 0.000 2.456 5360 F HA 0.159 4.688 4.527 0.004 0.000 0.358 5360 F C 1.270 177.130 175.800 0.101 0.000 1.095 5360 F CA -1.011 57.068 58.000 0.132 0.000 1.216 5360 F CB 0.274 39.352 39.000 0.131 0.000 1.125 5360 F HN -0.079 nan 8.300 nan 0.000 0.549 5361 E N 0.741 121.136 120.200 0.324 0.000 2.481 5361 E HA 0.066 4.419 4.350 0.004 0.000 0.198 5361 E C -0.062 176.699 176.600 0.268 0.000 1.027 5361 E CA 0.163 56.728 56.400 0.275 0.000 0.900 5361 E CB 0.434 30.266 29.700 0.221 0.000 0.993 5361 E HN 0.494 nan 8.360 nan 0.000 0.482 5362 S N -0.172 115.689 115.700 0.269 0.000 2.536 5362 S HA 0.656 5.128 4.470 0.004 0.000 0.271 5362 S C -1.140 173.618 174.600 0.263 0.000 1.134 5362 S CA -0.828 57.497 58.200 0.208 0.000 0.897 5362 S CB 1.620 64.902 63.200 0.136 0.000 1.094 5362 S HN 0.000 nan 8.310 nan 0.000 0.473 5363 F N 2.549 122.468 119.950 -0.052 0.000 2.596 5363 F HA 0.691 5.221 4.527 0.004 0.000 0.311 5363 F C -2.512 173.237 175.800 -0.085 0.000 1.116 5363 F CA -1.541 56.380 58.000 -0.130 0.000 0.957 5363 F CB 2.248 41.188 39.000 -0.100 0.000 1.250 5363 F HN 0.603 nan 8.300 nan 0.000 0.444 5364 P HA 0.230 nan 4.420 nan 0.000 0.287 5364 P C -0.727 176.436 177.300 -0.227 0.000 1.294 5364 P CA -0.204 62.723 63.100 -0.288 0.000 0.776 5364 P CB 1.762 33.239 31.700 -0.371 0.000 0.889 5365 V N 6.017 125.917 119.914 -0.023 0.000 2.493 5365 V HA 0.105 4.228 4.120 0.004 0.000 0.292 5365 V C 0.024 176.174 176.094 0.093 0.000 1.016 5365 V CA 0.334 62.690 62.300 0.093 0.000 1.097 5365 V CB -0.667 31.240 31.823 0.140 0.000 0.947 5365 V HN 0.407 nan 8.190 nan 0.000 0.479 5366 I N 7.093 127.732 120.570 0.114 0.000 2.533 5366 I HA 0.395 4.567 4.170 0.004 0.000 0.290 5366 I C -0.630 175.583 176.117 0.161 0.000 1.056 5366 I CA -0.572 60.792 61.300 0.107 0.000 1.057 5366 I CB 2.112 40.107 38.000 -0.008 0.000 1.240 5366 I HN 0.411 nan 8.210 nan 0.000 0.423 5367 L N 5.192 126.526 121.223 0.185 0.000 2.272 5367 L HA 0.485 4.828 4.340 0.004 0.000 0.289 5367 L C -0.187 176.752 176.870 0.115 0.000 1.032 5367 L CA -0.099 54.833 54.840 0.154 0.000 0.810 5367 L CB 1.738 43.883 42.059 0.142 0.000 1.205 5367 L HN 0.535 nan 8.230 nan 0.000 0.422 5368 T N 2.293 116.918 114.554 0.118 0.000 2.881 5368 T HA 0.258 4.611 4.350 0.004 0.000 0.290 5368 T C -0.332 174.445 174.700 0.128 0.000 1.000 5368 T CA -0.881 61.287 62.100 0.113 0.000 0.978 5368 T CB 0.924 69.856 68.868 0.106 0.000 0.997 5368 T HN 0.710 nan 8.240 nan 0.000 0.443 5369 D N 3.503 123.952 120.400 0.083 0.000 2.274 5369 D HA 0.191 4.834 4.640 0.004 0.000 0.256 5369 D C 0.535 176.927 176.300 0.152 0.000 1.274 5369 D CA -0.408 53.619 54.000 0.045 0.000 0.998 5369 D CB 0.461 41.263 40.800 0.004 0.000 1.139 5369 D HN 0.354 nan 8.370 nan 0.000 0.540 5370 K N -0.930 119.562 120.400 0.153 0.000 2.202 5370 K HA 0.017 4.340 4.320 0.004 0.000 0.238 5370 K C 0.257 176.929 176.600 0.121 0.000 1.070 5370 K CA 0.298 56.707 56.287 0.204 0.000 0.859 5370 K CB -0.497 32.121 32.500 0.197 0.000 1.140 5370 K HN 0.618 nan 8.250 nan 0.000 0.515 5371 N N -1.374 117.386 118.700 0.099 0.000 2.922 5371 N HA -0.246 4.497 4.740 0.004 0.000 0.224 5371 N C 0.329 175.879 175.510 0.067 0.000 0.833 5371 N CA 2.383 55.474 53.050 0.069 0.000 1.103 5371 N CB -1.401 37.120 38.487 0.057 0.000 1.000 5371 N HN 0.812 nan 8.380 nan 0.000 0.621 5372 G N -1.570 107.281 108.800 0.085 0.000 2.130 5372 G HA2 -0.149 3.814 3.960 0.004 0.000 0.216 5372 G HA3 -0.149 3.814 3.960 0.004 0.000 0.216 5372 G C -0.255 174.689 174.900 0.072 0.000 0.999 5372 G CA 0.148 45.294 45.100 0.078 0.000 0.686 5372 G HN 0.938 nan 8.290 nan 0.000 0.515 5373 V N 2.043 122.005 119.914 0.080 0.000 2.370 5373 V HA 0.610 4.733 4.120 0.004 0.000 0.279 5373 V C 1.183 177.345 176.094 0.113 0.000 1.029 5373 V CA -0.252 62.101 62.300 0.089 0.000 0.870 5373 V CB 1.421 33.296 31.823 0.087 0.000 0.984 5373 V HN 1.357 nan 8.190 nan 0.000 0.451 5374 V N 5.961 125.941 119.914 0.109 0.000 2.555 5374 V HA 0.192 4.314 4.120 0.004 0.000 0.299 5374 V C 0.910 177.173 176.094 0.282 0.000 1.012 5374 V CA 0.285 62.649 62.300 0.107 0.000 1.180 5374 V CB -0.154 31.619 31.823 -0.082 0.000 0.887 5374 V HN 0.897 nan 8.190 nan 0.000 0.476 5375 K N 3.064 123.599 120.400 0.225 0.000 2.402 5375 K HA 0.658 4.981 4.320 0.004 0.000 0.204 5375 K C 0.247 176.977 176.600 0.216 0.000 1.056 5375 K CA 0.811 57.234 56.287 0.226 0.000 1.069 5375 K CB 1.365 33.918 32.500 0.088 0.000 0.888 5375 K HN 1.138 nan 8.250 nan 0.000 0.546 5376 A N 1.813 124.768 122.820 0.225 0.000 2.581 5376 A HA 0.482 4.804 4.320 0.004 0.000 0.294 5376 A C -2.033 175.712 177.584 0.269 0.000 1.035 5376 A CA -0.795 51.356 52.037 0.190 0.000 0.684 5376 A CB 0.984 19.934 19.000 -0.083 0.000 1.282 5376 A HN 0.169 nan 8.150 nan 0.000 0.417 5377 D N 0.467 121.125 120.400 0.431 0.000 2.734 5377 D HA 0.243 4.886 4.640 0.004 0.000 0.224 5377 D C -1.300 175.196 176.300 0.326 0.000 1.222 5377 D CA -0.394 53.846 54.000 0.400 0.000 0.761 5377 D CB 0.598 41.482 40.800 0.139 0.000 1.569 5377 D HN 0.562 nan 8.370 nan 0.000 0.477 5378 I N 1.554 122.174 120.570 0.084 0.000 2.436 5378 I HA 0.157 4.330 4.170 0.004 0.000 0.289 5378 I C -2.017 174.108 176.117 0.013 0.000 1.083 5378 I CA -1.350 59.895 61.300 -0.092 0.000 1.372 5378 I CB 0.779 38.636 38.000 -0.239 0.000 1.408 5378 I HN 0.078 nan 8.210 nan 0.000 0.516 5379 P HA 0.107 nan 4.420 nan 0.000 0.286 5379 P C 0.194 177.540 177.300 0.076 0.000 1.269 5379 P CA -0.306 62.834 63.100 0.068 0.000 0.787 5379 P CB 0.818 32.562 31.700 0.074 0.000 0.920 5380 F N 3.493 123.422 119.950 -0.034 0.000 2.128 5380 F HA 0.065 4.595 4.527 0.004 0.000 0.295 5380 F C 1.031 176.819 175.800 -0.020 0.000 1.100 5380 F CA 1.049 59.029 58.000 -0.034 0.000 1.260 5380 F CB 0.319 39.294 39.000 -0.042 0.000 1.009 5380 F HN 0.141 nan 8.300 nan 0.000 0.476 5381 R N 1.675 122.250 120.500 0.125 0.000 2.204 5381 R HA 0.309 4.652 4.340 0.004 0.000 0.341 5381 R C -0.794 175.514 176.300 0.012 0.000 1.035 5381 R CA -0.422 55.701 56.100 0.038 0.000 0.887 5381 R CB 0.722 31.088 30.300 0.111 0.000 1.114 5381 R HN 0.129 nan 8.270 nan 0.000 0.473 5382 R N 2.052 122.532 120.500 -0.033 0.000 2.255 5382 R HA 0.499 4.842 4.340 0.004 0.000 0.326 5382 R C 0.143 176.439 176.300 -0.006 0.000 0.986 5382 R CA -0.023 56.069 56.100 -0.013 0.000 0.847 5382 R CB 1.705 31.985 30.300 -0.032 0.000 1.111 5382 R HN 0.786 nan 8.270 nan 0.000 0.452 5383 A N 2.789 125.617 122.820 0.013 0.000 3.563 5383 A HA -0.070 4.252 4.320 0.004 0.000 0.200 5383 A C 0.229 177.828 177.584 0.025 0.000 1.301 5383 A CA -0.413 51.632 52.037 0.013 0.000 1.182 5383 A CB -0.203 18.802 19.000 0.008 0.000 0.828 5383 A HN 0.626 nan 8.150 nan 0.000 0.396 5384 E N 1.799 122.019 120.200 0.034 0.000 2.511 5384 E HA 0.324 4.677 4.350 0.004 0.000 0.214 5384 E C -0.661 175.977 176.600 0.064 0.000 1.062 5384 E CA -0.054 56.373 56.400 0.044 0.000 1.213 5384 E CB 0.615 30.341 29.700 0.043 0.000 1.214 5384 E HN 0.458 nan 8.360 nan 0.000 0.441 5385 S N 1.350 117.090 115.700 0.066 0.000 2.510 5385 S HA 0.080 4.553 4.470 0.004 0.000 0.279 5385 S C 0.847 175.519 174.600 0.120 0.000 1.284 5385 S CA -0.055 58.203 58.200 0.095 0.000 1.059 5385 S CB 1.888 65.137 63.200 0.083 0.000 0.901 5385 S HN 0.276 nan 8.310 nan 0.000 0.491 5386 K N 1.727 122.248 120.400 0.201 0.000 2.306 5386 K HA 0.129 4.452 4.320 0.004 0.000 0.200 5386 K C 0.287 177.018 176.600 0.219 0.000 1.083 5386 K CA 0.447 56.863 56.287 0.216 0.000 0.959 5386 K CB 0.054 32.742 32.500 0.313 0.000 0.994 5386 K HN 0.656 nan 8.250 nan 0.000 0.492 5387 Y N 0.665 120.999 120.300 0.056 0.000 2.444 5387 Y HA 0.271 4.824 4.550 0.005 0.000 0.249 5387 Y C 0.705 176.667 175.900 0.103 0.000 1.134 5387 Y CA -0.610 57.528 58.100 0.064 0.000 1.261 5387 Y CB -0.090 38.407 38.460 0.062 0.000 1.143 5387 Y HN -0.080 nan 8.280 nan 0.000 0.523 5388 S N 1.018 116.894 115.700 0.292 0.000 2.605 5388 S HA -0.180 4.293 4.470 0.004 0.000 0.309 5388 S C 0.202 175.003 174.600 0.334 0.000 1.257 5388 S CA -0.425 57.948 58.200 0.287 0.000 1.033 5388 S CB -0.119 63.195 63.200 0.190 0.000 0.742 5388 S HN 0.131 nan 8.310 nan 0.000 0.487 5389 F N 3.655 123.658 119.950 0.089 0.000 2.633 5389 F HA 0.189 4.719 4.527 0.005 0.000 0.338 5389 F C 1.771 177.604 175.800 0.056 0.000 1.206 5389 F CA 0.805 58.851 58.000 0.077 0.000 1.378 5389 F CB -0.313 38.728 39.000 0.069 0.000 1.116 5389 F HN 1.011 nan 8.300 nan 0.000 0.615 5390 E N -1.629 118.686 120.200 0.192 0.000 4.030 5390 E HA -0.385 3.968 4.350 0.004 0.000 0.184 5390 E C 1.679 178.320 176.600 0.069 0.000 1.169 5390 E CA 1.287 57.756 56.400 0.116 0.000 2.421 5390 E CB -1.099 28.674 29.700 0.121 0.000 1.757 5390 E HN 0.750 nan 8.360 nan 0.000 0.445 5391 Q N 0.521 120.366 119.800 0.075 0.000 2.197 5391 Q HA -0.184 4.159 4.340 0.004 0.000 0.207 5391 Q C 1.618 177.631 176.000 0.021 0.000 0.984 5391 Q CA 1.611 57.441 55.803 0.044 0.000 0.869 5391 Q CB -0.147 28.622 28.738 0.051 0.000 0.906 5391 Q HN 0.339 nan 8.270 nan 0.000 0.426 5392 Q N 0.150 119.967 119.800 0.028 0.000 2.282 5392 Q HA 0.149 4.492 4.340 0.004 0.000 0.206 5392 Q C 0.173 176.159 176.000 -0.024 0.000 0.878 5392 Q CA 0.607 56.405 55.803 -0.009 0.000 0.944 5392 Q CB 1.089 29.825 28.738 -0.004 0.000 1.100 5392 Q HN 0.542 nan 8.270 nan 0.000 0.509 5393 G N 2.346 111.147 108.800 0.002 0.000 2.256 5393 G HA2 -0.221 3.742 3.960 0.004 0.000 0.218 5393 G HA3 -0.221 3.742 3.960 0.004 0.000 0.218 5393 G C 0.198 175.067 174.900 -0.053 0.000 0.485 5393 G CA 0.704 45.803 45.100 -0.002 0.000 1.003 5393 G HN 0.264 nan 8.290 nan 0.000 0.360 5394 V N 1.804 121.651 119.914 -0.112 0.000 3.262 5394 V HA 1.028 5.151 4.120 0.004 0.000 0.313 5394 V C 0.463 176.511 176.094 -0.076 0.000 1.070 5394 V CA 0.611 62.796 62.300 -0.192 0.000 1.049 5394 V CB 2.323 33.788 31.823 -0.596 0.000 1.157 5394 V HN 2.065 nan 8.190 nan 0.000 0.454 5395 T N 1.100 115.614 114.554 -0.066 0.000 3.159 5395 T HA 0.574 4.927 4.350 0.004 0.000 0.343 5395 T C -0.847 173.833 174.700 -0.034 0.000 1.364 5395 T CA -0.033 62.055 62.100 -0.021 0.000 1.102 5395 T CB 0.725 69.596 68.868 0.006 0.000 1.263 5395 T HN 2.058 nan 8.240 nan 0.000 0.477 5396 V N 0.314 120.194 119.914 -0.057 0.000 2.769 5396 V HA 1.000 5.122 4.120 0.004 0.000 0.312 5396 V C -0.449 175.684 176.094 0.065 0.000 1.058 5396 V CA -0.635 61.627 62.300 -0.064 0.000 0.952 5396 V CB 1.821 33.431 31.823 -0.355 0.000 1.019 5396 V HN 1.130 nan 8.190 nan 0.000 0.445 5397 S N 2.869 118.599 115.700 0.049 0.000 2.575 5397 S HA 0.707 5.180 4.470 0.004 0.000 0.278 5397 S C -1.042 173.458 174.600 -0.167 0.000 1.139 5397 S CA -0.307 57.873 58.200 -0.032 0.000 0.954 5397 S CB 1.276 64.469 63.200 -0.013 0.000 1.054 5397 S HN 0.659 nan 8.310 nan 0.000 0.483 5398 F N 2.294 121.906 119.950 -0.564 0.000 2.415 5398 F HA 0.483 5.012 4.527 0.004 0.000 0.348 5398 F C -0.598 174.731 175.800 -0.784 0.000 1.119 5398 F CA -0.754 56.920 58.000 -0.544 0.000 1.069 5398 F CB 0.915 39.655 39.000 -0.434 0.000 1.124 5398 F HN 0.496 nan 8.300 nan 0.000 0.472 5399 Y N 1.823 122.033 120.300 -0.150 0.000 2.345 5399 Y HA 0.580 5.133 4.550 0.004 0.000 0.331 5399 Y C 0.559 176.434 175.900 -0.042 0.000 0.959 5399 Y CA -0.871 57.182 58.100 -0.079 0.000 1.204 5399 Y CB 1.375 39.806 38.460 -0.048 0.000 1.135 5399 Y HN 0.881 nan 8.280 nan 0.000 0.477 5400 G N 1.267 110.149 108.800 0.136 0.000 2.796 5400 G HA2 0.354 4.317 3.960 0.004 0.000 0.571 5400 G HA3 0.354 4.317 3.960 0.004 0.000 0.571 5400 G C 0.111 174.872 174.900 -0.232 0.000 1.370 5400 G CA -0.267 44.935 45.100 0.170 0.000 0.856 5400 G HN 1.709 nan 8.290 nan 0.000 0.538 5401 G N -1.262 107.425 108.800 -0.188 0.000 2.584 5401 G HA2 0.040 4.003 3.960 0.004 0.000 0.229 5401 G HA3 0.040 4.003 3.960 0.004 0.000 0.229 5401 G C 0.735 175.519 174.900 -0.192 0.000 1.320 5401 G CA 0.960 45.764 45.100 -0.494 0.000 0.891 5401 G HN 1.413 nan 8.290 nan 0.000 0.573 5402 E N -0.712 119.347 120.200 -0.236 0.000 2.127 5402 E HA 0.176 4.528 4.350 0.004 0.000 0.191 5402 E C 2.648 179.146 176.600 -0.170 0.000 0.964 5402 E CA 0.448 56.767 56.400 -0.134 0.000 0.832 5402 E CB -0.014 29.628 29.700 -0.096 0.000 0.790 5402 E HN 0.414 nan 8.360 nan 0.000 0.465 5403 L N 1.914 122.985 121.223 -0.252 0.000 2.599 5403 L HA -0.000 4.343 4.340 0.004 0.000 0.230 5403 L C 0.788 177.469 176.870 -0.314 0.000 1.141 5403 L CA -0.305 54.331 54.840 -0.340 0.000 0.877 5403 L CB -0.438 41.204 42.059 -0.696 0.000 1.009 5403 L HN 0.067 nan 8.230 nan 0.000 0.447 5404 N N 0.331 118.898 118.700 -0.223 0.000 2.189 5404 N HA -0.074 4.668 4.740 0.004 0.000 0.243 5404 N C 1.317 176.700 175.510 -0.211 0.000 1.235 5404 N CA 1.708 54.645 53.050 -0.189 0.000 0.843 5404 N CB 0.433 38.856 38.487 -0.107 0.000 1.089 5404 N HN 0.265 nan 8.380 nan 0.000 0.454 5405 G N 0.338 108.993 108.800 -0.242 0.000 2.347 5405 G HA2 -0.326 3.637 3.960 0.004 0.000 0.247 5405 G HA3 -0.326 3.637 3.960 0.004 0.000 0.247 5405 G C -0.054 174.669 174.900 -0.295 0.000 1.037 5405 G CA 0.709 45.675 45.100 -0.222 0.000 0.622 5405 G HN 0.727 nan 8.290 nan 0.000 0.521 5406 Q N 0.391 119.958 119.800 -0.389 0.000 2.317 5406 Q HA 0.603 4.946 4.340 0.004 0.000 0.229 5406 Q C -0.572 175.061 176.000 -0.611 0.000 0.984 5406 Q CA 0.465 55.937 55.803 -0.552 0.000 0.911 5406 Q CB 1.054 29.321 28.738 -0.785 0.000 1.217 5406 Q HN 0.237 nan 8.270 nan 0.000 0.501 5407 T N 1.554 115.692 114.554 -0.694 0.000 2.949 5407 T HA 0.450 4.802 4.350 0.004 0.000 0.300 5407 T C -1.200 173.158 174.700 -0.570 0.000 0.988 5407 T CA -0.564 61.250 62.100 -0.476 0.000 0.993 5407 T CB 0.244 68.976 68.868 -0.228 0.000 0.984 5407 T HN 0.245 nan 8.240 nan 0.000 0.442 5408 F N 2.053 121.971 119.950 -0.053 0.000 2.421 5408 F HA 0.479 5.009 4.527 0.005 0.000 0.337 5408 F C 1.772 177.566 175.800 -0.011 0.000 1.105 5408 F CA -0.856 57.125 58.000 -0.032 0.000 1.049 5408 F CB 1.728 40.724 39.000 -0.006 0.000 1.139 5408 F HN 0.664 nan 8.300 nan 0.000 0.479 5409 T N -2.987 111.662 114.554 0.158 0.000 3.085 5409 T HA -0.006 4.346 4.350 0.004 0.000 0.241 5409 T C 0.392 175.154 174.700 0.104 0.000 0.988 5409 T CA -0.022 62.135 62.100 0.095 0.000 1.117 5409 T CB -0.479 68.417 68.868 0.047 0.000 0.978 5409 T HN 0.569 nan 8.240 nan 0.000 0.454 5410 D N 3.992 124.456 120.400 0.106 0.000 2.536 5410 D HA 0.013 4.656 4.640 0.004 0.000 0.260 5410 D C -1.733 174.622 176.300 0.092 0.000 1.270 5410 D CA -0.831 53.219 54.000 0.083 0.000 0.934 5410 D CB 0.923 41.763 40.800 0.067 0.000 1.129 5410 D HN 0.082 nan 8.370 nan 0.000 0.533 5411 P HA -0.248 nan 4.420 nan 0.000 0.227 5411 P C -1.425 175.928 177.300 0.088 0.000 1.141 5411 P CA 2.175 65.352 63.100 0.129 0.000 0.964 5411 P CB -0.904 30.861 31.700 0.109 0.000 0.784 5412 P HA -0.246 nan 4.420 nan 0.000 0.214 5412 P C 1.528 178.811 177.300 -0.029 0.000 1.164 5412 P CA 2.435 65.525 63.100 -0.016 0.000 0.942 5412 P CB -0.924 30.761 31.700 -0.025 0.000 0.791 5413 T N -0.366 114.178 114.554 -0.017 0.000 2.516 5413 T HA -0.199 4.154 4.350 0.004 0.000 0.261 5413 T C 1.835 176.575 174.700 0.066 0.000 1.130 5413 T CA 1.791 63.869 62.100 -0.037 0.000 1.193 5413 T CB -1.400 67.464 68.868 -0.006 0.000 0.864 5413 T HN -0.131 nan 8.240 nan 0.000 0.410 5414 V N 1.510 121.513 119.914 0.149 0.000 2.363 5414 V HA -0.285 3.838 4.120 0.004 0.000 0.254 5414 V C 2.577 178.795 176.094 0.207 0.000 1.074 5414 V CA 1.916 64.313 62.300 0.162 0.000 1.069 5414 V CB -0.485 31.433 31.823 0.158 0.000 0.659 5414 V HN 0.468 nan 8.190 nan 0.000 0.455 5415 K N -0.658 119.809 120.400 0.111 0.000 2.026 5415 K HA -0.182 4.140 4.320 0.004 0.000 0.208 5415 K C 2.439 178.991 176.600 -0.080 0.000 1.048 5415 K CA 1.641 57.823 56.287 -0.176 0.000 0.929 5415 K CB -0.426 31.920 32.500 -0.257 0.000 0.713 5415 K HN 0.531 nan 8.250 nan 0.000 0.439 5416 S N 0.398 116.049 115.700 -0.082 0.000 2.392 5416 S HA -0.242 4.231 4.470 0.004 0.000 0.225 5416 S C 1.978 176.532 174.600 -0.076 0.000 1.041 5416 S CA 1.641 59.750 58.200 -0.153 0.000 1.100 5416 S CB -0.573 62.429 63.200 -0.331 0.000 1.029 5416 S HN 0.314 nan 8.310 nan 0.000 0.424 5417 Y N 1.950 122.266 120.300 0.027 0.000 2.193 5417 Y HA -0.094 4.459 4.550 0.005 0.000 0.285 5417 Y C 2.827 178.898 175.900 0.284 0.000 1.166 5417 Y CA 0.983 59.155 58.100 0.119 0.000 1.181 5417 Y CB -1.019 37.493 38.460 0.087 0.000 0.976 5417 Y HN 0.423 nan 8.280 nan 0.000 0.520 5418 A N 0.061 123.153 122.820 0.454 0.000 1.933 5418 A HA -0.220 4.102 4.320 0.004 0.000 0.218 5418 A C 2.358 180.231 177.584 0.480 0.000 1.175 5418 A CA 1.726 54.215 52.037 0.754 0.000 0.628 5418 A CB -0.662 18.852 19.000 0.857 0.000 0.814 5418 A HN 0.433 nan 8.150 nan 0.000 0.444 5419 R N -0.784 119.904 120.500 0.313 0.000 2.115 5419 R HA -0.090 4.252 4.340 0.004 0.000 0.230 5419 R C 1.262 177.827 176.300 0.441 0.000 1.111 5419 R CA 1.545 57.816 56.100 0.286 0.000 0.976 5419 R CB -0.093 30.305 30.300 0.163 0.000 0.870 5419 R HN 0.246 nan 8.270 nan 0.000 0.445 5420 K N -0.303 120.333 120.400 0.394 0.000 2.426 5420 K HA 0.169 4.491 4.320 0.004 0.000 0.193 5420 K C 1.226 178.172 176.600 0.578 0.000 1.028 5420 K CA 0.701 57.250 56.287 0.437 0.000 1.047 5420 K CB 0.538 33.155 32.500 0.195 0.000 0.821 5420 K HN 0.235 nan 8.250 nan 0.000 0.513 5421 A N 0.431 123.569 122.820 0.530 0.000 2.030 5421 A HA 0.006 4.329 4.320 0.004 0.000 0.215 5421 A C 1.554 179.397 177.584 0.432 0.000 1.164 5421 A CA 0.524 52.837 52.037 0.461 0.000 0.697 5421 A CB -0.213 19.041 19.000 0.424 0.000 0.827 5421 A HN 0.098 nan 8.150 nan 0.000 0.457 5422 I N -0.574 120.238 120.570 0.404 0.000 2.335 5422 I HA -0.206 3.967 4.170 0.004 0.000 0.251 5422 I C 1.557 177.824 176.117 0.249 0.000 1.129 5422 I CA 1.215 62.668 61.300 0.256 0.000 1.402 5422 I CB -1.689 36.383 38.000 0.120 0.000 1.069 5422 I HN 0.327 nan 8.210 nan 0.000 0.424 5423 F N 0.635 120.815 119.950 0.384 0.000 2.811 5423 F HA 0.303 4.832 4.527 0.004 0.000 0.301 5423 F C 1.804 177.876 175.800 0.453 0.000 1.151 5423 F CA 0.642 58.858 58.000 0.361 0.000 1.412 5423 F CB -0.346 38.897 39.000 0.405 0.000 1.113 5423 F HN 0.261 nan 8.300 nan 0.000 0.579 5424 G N -0.350 108.870 108.800 0.700 0.000 3.035 5424 G HA2 -0.189 3.774 3.960 0.004 0.000 0.242 5424 G HA3 -0.189 3.774 3.960 0.004 0.000 0.242 5424 G C -0.433 174.821 174.900 0.589 0.000 1.524 5424 G CA -0.702 44.825 45.100 0.711 0.000 1.038 5424 G HN 0.035 nan 8.290 nan 0.000 0.561 5425 E N 1.060 121.665 120.200 0.675 0.000 2.174 5425 E HA 0.561 4.914 4.350 0.004 0.000 0.282 5425 E C -0.294 176.736 176.600 0.718 0.000 0.992 5425 E CA -0.502 56.297 56.400 0.664 0.000 0.803 5425 E CB 1.369 31.537 29.700 0.780 0.000 1.090 5425 E HN 0.417 nan 8.360 nan 0.000 0.396 5426 I N 3.446 124.323 120.570 0.511 0.000 2.395 5426 I HA 0.231 4.404 4.170 0.004 0.000 0.289 5426 I C 0.113 176.451 176.117 0.368 0.000 1.023 5426 I CA -0.036 61.538 61.300 0.457 0.000 1.350 5426 I CB -0.003 38.231 38.000 0.390 0.000 1.409 5426 I HN 0.257 nan 8.210 nan 0.000 0.507 5427 F N 2.627 122.798 119.950 0.369 0.000 2.575 5427 F HA 0.462 4.991 4.527 0.004 0.000 0.330 5427 F C 0.510 176.575 175.800 0.442 0.000 1.056 5427 F CA -0.924 57.316 58.000 0.401 0.000 0.964 5427 F CB 1.277 40.465 39.000 0.314 0.000 1.258 5427 F HN 0.412 nan 8.300 nan 0.000 0.484 5428 E N 1.552 122.009 120.200 0.428 0.000 2.081 5428 E HA 0.326 4.678 4.350 0.004 0.000 0.281 5428 E C -1.692 175.075 176.600 0.279 0.000 0.986 5428 E CA -0.362 56.234 56.400 0.326 0.000 0.796 5428 E CB 0.414 30.197 29.700 0.137 0.000 1.085 5428 E HN 0.270 nan 8.360 nan 0.000 0.398 5429 F N 2.991 122.956 119.950 0.026 0.000 2.415 5429 F HA 0.172 4.702 4.527 0.005 0.000 0.348 5429 F C 0.415 176.206 175.800 -0.016 0.000 1.119 5429 F CA -1.415 56.588 58.000 0.005 0.000 1.069 5429 F CB 1.123 40.123 39.000 0.000 0.000 1.124 5429 F HN 0.356 nan 8.300 nan 0.000 0.472 5430 D N 1.886 122.344 120.400 0.097 0.000 2.365 5430 D HA 0.073 4.716 4.640 0.004 0.000 0.237 5430 D C 0.979 177.316 176.300 0.063 0.000 1.190 5430 D CA -0.017 54.009 54.000 0.043 0.000 0.867 5430 D CB 1.082 41.872 40.800 -0.017 0.000 1.050 5430 D HN 0.660 nan 8.370 nan 0.000 0.491 5431 T N 0.831 115.423 114.554 0.063 0.000 3.040 5431 T HA 0.004 4.356 4.350 0.004 0.000 0.252 5431 T C 1.516 176.229 174.700 0.021 0.000 1.064 5431 T CA 0.276 62.407 62.100 0.053 0.000 1.110 5431 T CB 0.019 68.909 68.868 0.037 0.000 0.921 5431 T HN 0.242 nan 8.240 nan 0.000 0.480 5432 E N 1.700 121.906 120.200 0.009 0.000 2.035 5432 E HA -0.134 4.219 4.350 0.004 0.000 0.204 5432 E C 2.210 178.806 176.600 -0.008 0.000 1.025 5432 E CA 2.294 58.693 56.400 -0.003 0.000 0.835 5432 E CB -0.919 28.775 29.700 -0.009 0.000 0.764 5432 E HN 0.547 nan 8.360 nan 0.000 0.457 5433 T N 0.971 115.516 114.554 -0.015 0.000 2.427 5433 T HA -0.244 4.109 4.350 0.004 0.000 0.244 5433 T C 1.223 175.912 174.700 -0.019 0.000 1.325 5433 T CA 2.287 64.372 62.100 -0.025 0.000 1.173 5433 T CB -0.635 68.208 68.868 -0.042 0.000 0.859 5433 T HN 0.252 nan 8.240 nan 0.000 0.415 5434 L N 1.161 122.376 121.223 -0.014 0.000 2.968 5434 L HA 0.489 4.831 4.340 0.004 0.000 0.235 5434 L C 0.374 177.249 176.870 0.009 0.000 1.323 5434 L CA -0.632 54.205 54.840 -0.005 0.000 1.159 5434 L CB -1.381 40.674 42.059 -0.006 0.000 1.523 5434 L HN 0.162 nan 8.230 nan 0.000 0.468 5435 N N 0.740 119.444 118.700 0.006 0.000 2.722 5435 N HA -0.256 4.486 4.740 0.004 0.000 0.274 5435 N C 0.198 175.719 175.510 0.019 0.000 0.987 5435 N CA 1.004 54.059 53.050 0.009 0.000 0.817 5435 N CB -0.510 37.980 38.487 0.006 0.000 0.921 5435 N HN 0.727 nan 8.380 nan 0.000 0.565 5436 S N -0.022 115.694 115.700 0.027 0.000 2.580 5436 S HA -0.007 4.466 4.470 0.004 0.000 0.261 5436 S C 1.311 175.923 174.600 0.021 0.000 1.366 5436 S CA 0.437 58.660 58.200 0.038 0.000 0.996 5436 S CB 0.502 63.736 63.200 0.057 0.000 0.902 5436 S HN 0.667 nan 8.310 nan 0.000 0.566 5437 D N -0.883 119.530 120.400 0.022 0.000 2.469 5437 D HA 0.226 4.868 4.640 0.004 0.000 0.240 5437 D C 0.682 176.968 176.300 -0.023 0.000 1.087 5437 D CA 0.643 54.647 54.000 0.007 0.000 0.876 5437 D CB -0.567 40.249 40.800 0.027 0.000 1.160 5437 D HN 0.852 nan 8.370 nan 0.000 0.497 5438 G N 0.818 109.596 108.800 -0.038 0.000 2.871 5438 G HA2 -0.051 3.912 3.960 0.004 0.000 0.262 5438 G HA3 -0.051 3.912 3.960 0.004 0.000 0.262 5438 G C -0.114 174.695 174.900 -0.151 0.000 1.126 5438 G CA 0.009 45.036 45.100 -0.123 0.000 1.130 5438 G HN 0.283 nan 8.290 nan 0.000 0.549 5439 I N 1.701 122.211 120.570 -0.100 0.000 2.954 5439 I HA 0.115 4.288 4.170 0.004 0.000 0.318 5439 I C 1.184 177.478 176.117 0.295 0.000 1.497 5439 I CA -0.794 60.489 61.300 -0.030 0.000 0.835 5439 I CB -0.911 37.141 38.000 0.087 0.000 1.721 5439 I HN 0.663 nan 8.210 nan 0.000 0.633 5440 F N 1.346 121.340 119.950 0.072 0.000 1.968 5440 F HA -0.232 4.297 4.527 0.004 0.000 0.472 5440 F C 0.324 176.160 175.800 0.060 0.000 0.795 5440 F CA 0.017 58.063 58.000 0.077 0.000 1.015 5440 F CB -0.388 38.636 39.000 0.040 0.000 0.793 5440 F HN 0.192 nan 8.300 nan 0.000 0.512 5441 R N 2.215 122.895 120.500 0.299 0.000 2.691 5441 R HA 0.498 4.841 4.340 0.004 0.000 0.259 5441 R C 0.282 176.627 176.300 0.074 0.000 1.048 5441 R CA -0.625 55.587 56.100 0.188 0.000 1.086 5441 R CB 0.822 31.291 30.300 0.283 0.000 1.166 5441 R HN 0.695 nan 8.270 nan 0.000 0.526 5442 T N -0.372 114.149 114.554 -0.055 0.000 2.813 5442 T HA 0.207 4.560 4.350 0.004 0.000 0.297 5442 T C 0.332 175.053 174.700 0.035 0.000 1.036 5442 T CA -0.353 61.640 62.100 -0.178 0.000 1.044 5442 T CB 0.326 68.910 68.868 -0.472 0.000 0.993 5442 T HN 0.651 nan 8.240 nan 0.000 0.535 5443 S N 3.161 118.885 115.700 0.039 0.000 2.681 5443 S HA 0.442 4.915 4.470 0.004 0.000 0.270 5443 S C -1.557 173.285 174.600 0.403 0.000 1.209 5443 S CA -1.083 57.272 58.200 0.258 0.000 0.988 5443 S CB 1.111 64.415 63.200 0.173 0.000 1.006 5443 S HN 0.660 nan 8.310 nan 0.000 0.558 5444 P HA -0.203 nan 4.420 nan 0.000 0.216 5444 P C 1.489 179.068 177.300 0.465 0.000 1.150 5444 P CA 1.192 64.640 63.100 0.580 0.000 0.837 5444 P CB -0.058 31.926 31.700 0.474 0.000 0.786 5445 R N 0.268 120.933 120.500 0.274 0.000 2.174 5445 R HA -0.142 4.201 4.340 0.004 0.000 0.253 5445 R C 2.336 178.731 176.300 0.158 0.000 1.165 5445 R CA 2.205 58.407 56.100 0.169 0.000 0.984 5445 R CB -0.967 29.310 30.300 -0.038 0.000 0.873 5445 R HN 0.250 nan 8.270 nan 0.000 0.456 5446 G N -1.324 107.552 108.800 0.126 0.000 2.576 5446 G HA2 -0.131 3.832 3.960 0.004 0.000 0.210 5446 G HA3 -0.131 3.832 3.960 0.004 0.000 0.210 5446 G C 0.888 175.959 174.900 0.285 0.000 1.143 5446 G CA -0.017 45.212 45.100 0.214 0.000 0.819 5446 G HN 0.363 nan 8.290 nan 0.000 0.534 5447 W N 0.531 121.995 121.300 0.273 0.000 2.304 5447 W HA -0.122 4.540 4.660 0.004 0.000 0.328 5447 W C 2.193 178.904 176.519 0.319 0.000 1.242 5447 W CA 1.026 58.522 57.345 0.250 0.000 1.243 5447 W CB -0.649 28.905 29.460 0.156 0.000 1.170 5447 W HN 0.142 nan 8.180 nan 0.000 0.460 5448 F N 1.288 121.537 119.950 0.499 0.000 2.050 5448 F HA -0.437 4.093 4.527 0.005 0.000 0.294 5448 F C 2.443 178.496 175.800 0.421 0.000 1.113 5448 F CA 2.955 61.244 58.000 0.481 0.000 1.225 5448 F CB -1.138 38.088 39.000 0.378 0.000 0.953 5448 F HN -0.230 nan 8.300 nan 0.000 0.501 5449 T N 0.374 115.293 114.554 0.609 0.000 2.649 5449 T HA -0.328 4.024 4.350 0.004 0.000 0.268 5449 T C 1.580 176.417 174.700 0.228 0.000 1.036 5449 T CA 1.845 64.188 62.100 0.406 0.000 1.157 5449 T CB -0.856 68.292 68.868 0.467 0.000 0.861 5449 T HN 0.414 nan 8.240 nan 0.000 0.445 5450 F N 1.507 121.501 119.950 0.074 0.000 2.502 5450 F HA 0.290 4.820 4.527 0.004 0.000 0.298 5450 F C 2.105 177.804 175.800 -0.169 0.000 1.111 5450 F CA 0.337 58.289 58.000 -0.080 0.000 1.445 5450 F CB -0.422 38.515 39.000 -0.105 0.000 1.081 5450 F HN 0.133 nan 8.300 nan 0.000 0.558 5451 A N -0.954 121.587 122.820 -0.464 0.000 1.973 5451 A HA 0.004 4.327 4.320 0.004 0.000 0.210 5451 A C 1.009 178.044 177.584 -0.915 0.000 1.200 5451 A CA 0.381 51.811 52.037 -1.012 0.000 0.707 5451 A CB -1.022 17.494 19.000 -0.806 0.000 0.862 5451 A HN 0.464 nan 8.150 nan 0.000 0.461 5452 H N 0.312 119.095 119.070 -0.479 0.000 3.068 5452 H HA 0.462 5.020 4.556 0.005 0.000 0.297 5452 H C 1.177 176.238 175.328 -0.445 0.000 1.135 5452 H CA 0.369 56.184 56.048 -0.390 0.000 1.207 5452 H CB -0.300 29.260 29.762 -0.337 0.000 1.307 5452 H HN 0.532 nan 8.280 nan 0.000 0.624 5453 A N -0.300 122.228 122.820 -0.487 0.000 2.579 5453 A HA 0.102 4.425 4.320 0.004 0.000 0.220 5453 A C 2.062 179.380 177.584 -0.442 0.000 2.352 5453 A CA 0.311 52.089 52.037 -0.432 0.000 1.183 5453 A CB -0.432 18.258 19.000 -0.517 0.000 1.311 5453 A HN 0.200 nan 8.150 nan 0.000 0.534 5454 V N 0.162 119.746 119.914 -0.551 0.000 2.688 5454 V HA -0.203 3.919 4.120 0.004 0.000 0.256 5454 V C 2.154 178.107 176.094 -0.235 0.000 1.084 5454 V CA 1.738 63.804 62.300 -0.389 0.000 1.103 5454 V CB -1.243 30.269 31.823 -0.519 0.000 0.688 5454 V HN 0.498 nan 8.190 nan 0.000 0.480 5455 F N 0.722 120.366 119.950 -0.510 0.000 2.512 5455 F HA 0.255 4.784 4.527 0.004 0.000 0.296 5455 F C 2.315 177.629 175.800 -0.810 0.000 1.110 5455 F CA 0.244 57.827 58.000 -0.694 0.000 1.446 5455 F CB -1.123 37.411 39.000 -0.777 0.000 1.092 5455 F HN 0.162 nan 8.300 nan 0.000 0.554 5456 A N -0.338 122.185 122.820 -0.495 0.000 1.935 5456 A HA 0.022 4.345 4.320 0.004 0.000 0.214 5456 A C 2.184 179.620 177.584 -0.246 0.000 1.178 5456 A CA 0.650 52.269 52.037 -0.698 0.000 0.640 5456 A CB -0.802 17.135 19.000 -1.773 0.000 0.825 5456 A HN 0.339 nan 8.150 nan 0.000 0.447 5457 L N -0.553 120.625 121.223 -0.075 0.000 2.131 5457 L HA 0.032 4.374 4.340 0.004 0.000 0.206 5457 L C 2.275 179.249 176.870 0.175 0.000 1.087 5457 L CA 0.791 55.748 54.840 0.196 0.000 0.767 5457 L CB -0.131 42.021 42.059 0.154 0.000 0.917 5457 L HN 0.365 nan 8.230 nan 0.000 0.441 5458 L N -1.334 119.931 121.223 0.069 0.000 2.056 5458 L HA -0.220 4.122 4.340 0.004 0.000 0.207 5458 L C 2.419 179.406 176.870 0.195 0.000 1.078 5458 L CA 1.429 56.298 54.840 0.050 0.000 0.749 5458 L CB -0.573 41.512 42.059 0.044 0.000 0.901 5458 L HN 0.223 nan 8.230 nan 0.000 0.433 5459 F N -0.123 119.824 119.950 -0.006 0.000 2.025 5459 F HA -0.394 4.136 4.527 0.004 0.000 0.297 5459 F C 2.642 178.464 175.800 0.037 0.000 1.132 5459 F CA 1.500 59.537 58.000 0.061 0.000 1.191 5459 F CB -0.550 38.564 39.000 0.190 0.000 0.963 5459 F HN 0.112 nan 8.300 nan 0.000 0.481 5460 F N 1.243 121.106 119.950 -0.145 0.000 2.147 5460 F HA -0.345 4.185 4.527 0.004 0.000 0.301 5460 F C 2.026 177.907 175.800 0.134 0.000 1.084 5460 F CA 1.486 59.197 58.000 -0.481 0.000 1.268 5460 F CB -1.383 37.108 39.000 -0.847 0.000 1.009 5460 F HN 0.077 nan 8.300 nan 0.000 0.486 5461 F N 1.774 121.040 119.950 -1.141 0.000 2.102 5461 F HA 0.085 4.615 4.527 0.004 0.000 0.298 5461 F C 2.163 177.663 175.800 -0.501 0.000 1.105 5461 F CA 1.737 59.045 58.000 -1.154 0.000 1.239 5461 F CB -1.317 37.383 39.000 -0.499 0.000 0.991 5461 F HN -0.013 nan 8.300 nan 0.000 0.474 5462 G N -1.630 107.529 108.800 0.598 0.000 2.813 5462 G HA2 -0.214 3.749 3.960 0.004 0.000 0.209 5462 G HA3 -0.214 3.749 3.960 0.004 0.000 0.209 5462 G C 1.264 176.155 174.900 -0.015 0.000 1.150 5462 G CA 0.589 45.807 45.100 0.197 0.000 0.785 5462 G HN 0.640 nan 8.290 nan 0.000 0.535 5463 H N -0.019 119.036 119.070 -0.026 0.000 2.543 5463 H HA 0.070 4.628 4.556 0.004 0.000 0.286 5463 H C 1.866 177.213 175.328 0.031 0.000 1.037 5463 H CA 1.056 57.153 56.048 0.082 0.000 1.250 5463 H CB 0.079 30.013 29.762 0.287 0.000 1.373 5463 H HN 0.330 nan 8.280 nan 0.000 0.580 5464 I N -0.843 119.556 120.570 -0.285 0.000 3.039 5464 I HA -0.078 4.095 4.170 0.004 0.000 0.270 5464 I C 2.303 178.253 176.117 -0.278 0.000 1.150 5464 I CA 0.395 61.508 61.300 -0.313 0.000 1.448 5464 I CB -0.722 37.086 38.000 -0.320 0.000 1.197 5464 I HN 0.462 nan 8.210 nan 0.000 0.450 5465 W N 1.299 122.374 121.300 -0.375 0.000 2.355 5465 W HA -0.234 4.428 4.660 0.005 0.000 0.309 5465 W C 2.311 178.834 176.519 0.006 0.000 1.206 5465 W CA 1.748 58.982 57.345 -0.185 0.000 1.284 5465 W CB -0.634 28.782 29.460 -0.073 0.000 1.145 5465 W HN 0.218 nan 8.180 nan 0.000 0.502 5466 H N 0.008 119.045 119.070 -0.055 0.000 2.276 5466 H HA -0.016 4.543 4.556 0.005 0.000 0.301 5466 H C 2.542 177.686 175.328 -0.307 0.000 1.073 5466 H CA 2.030 57.985 56.048 -0.154 0.000 1.311 5466 H CB -1.246 28.523 29.762 0.012 0.000 1.379 5466 H HN 0.212 nan 8.280 nan 0.000 0.494 5467 G N -0.488 108.213 108.800 -0.165 0.000 2.653 5467 G HA2 -0.003 3.960 3.960 0.004 0.000 0.212 5467 G HA3 -0.003 3.960 3.960 0.004 0.000 0.212 5467 G C 1.403 176.138 174.900 -0.276 0.000 1.138 5467 G CA 0.761 45.721 45.100 -0.232 0.000 0.782 5467 G HN 0.531 nan 8.290 nan 0.000 0.535 5468 A N -0.468 122.130 122.820 -0.369 0.000 2.288 5468 A HA 0.371 4.693 4.320 0.004 0.000 0.216 5468 A C 2.212 179.567 177.584 -0.381 0.000 1.199 5468 A CA -0.021 51.714 52.037 -0.503 0.000 0.891 5468 A CB 0.130 18.793 19.000 -0.561 0.000 0.923 5468 A HN 0.244 nan 8.150 nan 0.000 0.500 5469 R N -0.971 119.247 120.500 -0.470 0.000 2.156 5469 R HA 0.014 4.357 4.340 0.004 0.000 0.207 5469 R C 1.752 177.845 176.300 -0.344 0.000 1.040 5469 R CA 1.356 57.057 56.100 -0.664 0.000 1.013 5469 R CB -0.224 29.519 30.300 -0.928 0.000 0.931 5469 R HN 0.418 nan 8.270 nan 0.000 0.465 5470 T N 1.628 116.031 114.554 -0.251 0.000 2.737 5470 T HA -0.027 4.326 4.350 0.004 0.000 0.265 5470 T C 1.717 176.401 174.700 -0.027 0.000 1.038 5470 T CA 0.954 62.971 62.100 -0.139 0.000 1.144 5470 T CB 0.014 68.807 68.868 -0.125 0.000 0.866 5470 T HN 0.113 nan 8.240 nan 0.000 0.434 5471 L N -0.566 120.675 121.223 0.030 0.000 2.509 5471 L HA 0.271 4.614 4.340 0.004 0.000 0.222 5471 L C 0.711 177.898 176.870 0.529 0.000 1.123 5471 L CA 0.745 55.715 54.840 0.216 0.000 0.856 5471 L CB -0.001 42.196 42.059 0.230 0.000 0.985 5471 L HN 0.301 nan 8.230 nan 0.000 0.456 5472 F N -0.872 119.070 119.950 -0.014 0.000 2.850 5472 F HA 0.143 4.672 4.527 0.004 0.000 0.329 5472 F C 1.806 177.667 175.800 0.101 0.000 1.182 5472 F CA -0.823 57.208 58.000 0.052 0.000 1.270 5472 F CB 0.334 39.388 39.000 0.090 0.000 0.979 5472 F HN -0.049 nan 8.300 nan 0.000 0.506 5473 R N 2.017 122.608 120.500 0.152 0.000 2.154 5473 R HA -0.260 4.082 4.340 0.004 0.000 0.236 5473 R C 1.812 178.164 176.300 0.087 0.000 1.121 5473 R CA 2.799 58.919 56.100 0.032 0.000 0.915 5473 R CB -1.294 28.991 30.300 -0.026 0.000 0.856 5473 R HN 0.398 nan 8.270 nan 0.000 0.431 5474 D N 0.634 121.063 120.400 0.049 0.000 2.355 5474 D HA -0.260 4.383 4.640 0.004 0.000 0.192 5474 D C 1.866 178.202 176.300 0.061 0.000 1.014 5474 D CA 2.312 56.329 54.000 0.028 0.000 0.862 5474 D CB -1.170 39.621 40.800 -0.016 0.000 0.986 5474 D HN 0.241 nan 8.370 nan 0.000 0.456 5475 V N 1.120 121.073 119.914 0.066 0.000 2.301 5475 V HA -0.303 3.820 4.120 0.004 0.000 0.220 5475 V C 2.126 178.302 176.094 0.138 0.000 0.954 5475 V CA 2.128 64.464 62.300 0.060 0.000 1.009 5475 V CB -1.205 30.643 31.823 0.041 0.000 0.663 5475 V HN 0.214 nan 8.190 nan 0.000 0.496 5476 F N 0.572 120.531 119.950 0.015 0.000 2.252 5476 F HA -0.458 4.072 4.527 0.005 0.000 0.222 5476 F C 2.674 178.479 175.800 0.009 0.000 1.235 5476 F CA 3.280 61.280 58.000 0.001 0.000 1.858 5476 F CB -1.642 37.337 39.000 -0.035 0.000 0.614 5476 F HN 0.392 nan 8.300 nan 0.000 0.365 5477 S N -0.041 115.789 115.700 0.217 0.000 2.441 5477 S HA 0.202 4.674 4.470 0.004 0.000 0.242 5477 S C 0.952 175.591 174.600 0.066 0.000 1.018 5477 S CA 1.024 59.294 58.200 0.116 0.000 0.988 5477 S CB -0.771 62.475 63.200 0.077 0.000 0.778 5477 S HN 1.446 nan 8.310 nan 0.000 0.498 5478 G N 0.536 109.365 108.800 0.047 0.000 2.337 5478 G HA2 0.339 4.301 3.960 0.004 0.000 0.310 5478 G HA3 0.339 4.301 3.960 0.004 0.000 0.310 5478 G C -1.040 173.859 174.900 -0.002 0.000 1.534 5478 G CA -0.705 44.402 45.100 0.012 0.000 0.982 5478 G HN 0.740 nan 8.290 nan 0.000 0.672 5479 I N -0.723 119.835 120.570 -0.020 0.000 2.353 5479 I HA 0.555 4.728 4.170 0.004 0.000 0.293 5479 I C 0.168 176.270 176.117 -0.026 0.000 0.992 5479 I CA -0.782 60.497 61.300 -0.034 0.000 1.268 5479 I CB 1.634 39.605 38.000 -0.048 0.000 1.387 5479 I HN 0.445 nan 8.210 nan 0.000 0.478 5480 D N 8.055 128.438 120.400 -0.028 0.000 3.988 5480 D HA -0.107 4.536 4.640 0.004 0.000 0.201 5480 D C -1.505 174.785 176.300 -0.018 0.000 1.147 5480 D CA -0.473 53.514 54.000 -0.022 0.000 0.749 5480 D CB 0.682 41.465 40.800 -0.028 0.000 1.190 5480 D HN 0.440 nan 8.370 nan 0.000 0.621 5481 P HA -0.033 nan 4.420 nan 0.000 0.240 5481 P C -0.540 176.754 177.300 -0.010 0.000 1.186 5481 P CA 0.743 63.838 63.100 -0.008 0.000 0.755 5481 P CB 0.258 31.956 31.700 -0.004 0.000 0.870 5482 E N -0.273 119.919 120.200 -0.013 0.000 2.542 5482 E HA 0.311 4.663 4.350 0.004 0.000 0.298 5482 E C -1.500 175.090 176.600 -0.017 0.000 0.980 5482 E CA -0.213 56.179 56.400 -0.013 0.000 0.792 5482 E CB -0.035 29.659 29.700 -0.011 0.000 1.463 5482 E HN -0.179 nan 8.360 nan 0.000 0.389 5483 L N 1.423 122.635 121.223 -0.018 0.000 2.279 5483 L HA 0.610 4.952 4.340 0.004 0.000 0.262 5483 L C 0.796 177.656 176.870 -0.016 0.000 1.019 5483 L CA -0.567 54.261 54.840 -0.020 0.000 0.823 5483 L CB 1.772 43.816 42.059 -0.025 0.000 1.358 5483 L HN 0.482 nan 8.230 nan 0.000 0.432 5484 S N 1.364 117.054 115.700 -0.016 0.000 2.970 5484 S HA 0.313 4.785 4.470 0.004 0.000 0.165 5484 S C -1.316 173.277 174.600 -0.012 0.000 0.813 5484 S CA 0.092 58.284 58.200 -0.013 0.000 1.195 5484 S CB -0.198 62.995 63.200 -0.013 0.000 0.633 5484 S HN 0.715 nan 8.310 nan 0.000 0.543 5485 P HA 0.161 nan 4.420 nan 0.000 0.215 5485 P C -0.109 177.184 177.300 -0.012 0.000 1.144 5485 P CA 0.480 63.574 63.100 -0.011 0.000 0.874 5485 P CB -0.445 31.250 31.700 -0.009 0.000 0.796 5486 E N 0.000 120.192 120.200 -0.014 0.000 2.725 5486 E HA 0.000 4.353 4.350 0.004 0.000 0.291 5486 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 5486 E CB 0.000 29.688 29.700 -0.021 0.000 0.812 5486 E HN 0.000 nan 8.360 nan 0.000 0.440