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 2jd1_1_B DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 11 G C 0.000 174.856 174.900 -0.073 0.000 0.946 11 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 12 R N -0.059 120.409 120.500 -0.053 0.000 2.312 12 R HA 0.643 4.983 4.340 0.000 0.000 0.311 12 R C -0.420 175.876 176.300 -0.007 0.000 1.004 12 R CA -0.460 55.606 56.100 -0.057 0.000 0.902 12 R CB 0.695 30.980 30.300 -0.025 0.000 1.073 12 R HN 0.362 nan 8.270 nan 0.000 0.457 13 L N 4.801 126.036 121.223 0.021 0.000 2.292 13 L HA 0.425 4.765 4.340 0.000 0.000 0.284 13 L C 0.287 177.246 176.870 0.149 0.000 1.065 13 L CA -0.456 54.452 54.840 0.113 0.000 0.806 13 L CB 1.286 43.471 42.059 0.210 0.000 1.175 13 L HN 0.490 nan 8.230 nan 0.000 0.431 14 R N 2.552 123.113 120.500 0.101 0.000 2.267 14 R HA 0.428 4.768 4.340 0.000 0.000 0.319 14 R C -1.018 175.332 176.300 0.082 0.000 1.067 14 R CA -0.397 55.754 56.100 0.085 0.000 0.936 14 R CB 1.030 31.362 30.300 0.055 0.000 1.006 14 R HN 0.320 nan 8.270 nan 0.000 0.452 15 V N 4.346 124.305 119.914 0.076 0.000 2.409 15 V HA 0.257 4.377 4.120 0.000 0.000 0.291 15 V C -0.068 176.034 176.094 0.014 0.000 1.020 15 V CA -0.923 61.401 62.300 0.040 0.000 0.848 15 V CB 1.908 33.739 31.823 0.013 0.000 0.990 15 V HN 0.441 nan 8.190 nan 0.000 0.430 16 V N 5.654 125.568 119.914 -0.001 0.000 2.406 16 V HA 0.320 4.440 4.120 0.000 0.000 0.272 16 V C 0.048 176.126 176.094 -0.026 0.000 1.043 16 V CA -0.418 61.874 62.300 -0.014 0.000 0.915 16 V CB 1.738 33.546 31.823 -0.025 0.000 0.988 16 V HN 0.639 nan 8.190 nan 0.000 0.466 17 V N 7.273 127.173 119.914 -0.024 0.000 2.318 17 V HA 0.369 4.489 4.120 0.000 0.000 0.271 17 V C 0.000 176.079 176.094 -0.026 0.000 1.030 17 V CA -0.365 61.916 62.300 -0.031 0.000 0.844 17 V CB 0.995 32.798 31.823 -0.032 0.000 1.015 17 V HN 0.609 nan 8.190 nan 0.000 0.460 18 L N 4.378 125.581 121.223 -0.032 0.000 2.276 18 L HA 0.692 5.032 4.340 0.000 0.000 0.286 18 L C 1.084 177.938 176.870 -0.026 0.000 1.061 18 L CA -0.196 54.627 54.840 -0.028 0.000 0.807 18 L CB 1.102 43.140 42.059 -0.035 0.000 1.177 18 L HN 0.869 nan 8.230 nan 0.000 0.429 19 G N 1.744 110.535 108.800 -0.016 0.000 2.370 19 G HA2 -0.259 3.701 3.960 0.000 0.000 0.268 19 G HA3 -0.259 3.701 3.960 0.000 0.000 0.268 19 G C 0.726 175.612 174.900 -0.024 0.000 1.122 19 G CA 0.304 45.394 45.100 -0.016 0.000 0.963 19 G HN 0.814 nan 8.290 nan 0.000 0.500 20 S N -1.267 114.426 115.700 -0.011 0.000 2.481 20 S HA -0.018 4.452 4.470 0.000 0.000 0.231 20 S C 2.146 176.734 174.600 -0.020 0.000 0.996 20 S CA 1.875 60.066 58.200 -0.014 0.000 0.942 20 S CB -0.120 63.081 63.200 0.002 0.000 0.768 20 S HN 1.566 nan 8.310 nan 0.000 0.520 21 T N -1.874 112.666 114.554 -0.023 0.000 3.086 21 T HA 0.433 4.783 4.350 0.000 0.000 0.250 21 T C 0.970 175.580 174.700 -0.150 0.000 1.074 21 T CA 0.124 62.191 62.100 -0.055 0.000 0.988 21 T CB -0.076 68.789 68.868 -0.005 0.000 0.988 21 T HN 0.401 nan 8.240 nan 0.000 0.530 22 G N 0.562 109.287 108.800 -0.125 0.000 2.563 22 G HA2 0.388 4.348 3.960 0.000 0.000 0.283 22 G HA3 0.388 4.348 3.960 0.000 0.000 0.283 22 G C 0.972 175.767 174.900 -0.174 0.000 1.309 22 G CA 0.002 45.000 45.100 -0.171 0.000 1.022 22 G HN 0.157 nan 8.290 nan 0.000 0.501 23 S N -1.131 114.445 115.700 -0.208 0.000 2.353 23 S HA -0.157 4.313 4.470 0.000 0.000 0.222 23 S C 2.362 176.892 174.600 -0.116 0.000 1.035 23 S CA 1.219 59.304 58.200 -0.192 0.000 1.025 23 S CB -0.348 62.726 63.200 -0.211 0.000 0.902 23 S HN 0.370 nan 8.310 nan 0.000 0.440 24 I N 1.724 122.235 120.570 -0.099 0.000 2.142 24 I HA -0.073 4.097 4.170 0.000 0.000 0.240 24 I C 2.811 178.885 176.117 -0.070 0.000 1.078 24 I CA 1.578 62.832 61.300 -0.077 0.000 1.343 24 I CB -2.199 35.760 38.000 -0.068 0.000 1.046 24 I HN 0.471 nan 8.210 nan 0.000 0.405 25 G N 1.018 109.777 108.800 -0.069 0.000 2.476 25 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 25 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 25 G C 1.705 176.576 174.900 -0.049 0.000 1.164 25 G CA 1.989 47.054 45.100 -0.058 0.000 0.768 25 G HN 0.495 nan 8.290 nan 0.000 0.560 26 T N -1.397 113.128 114.554 -0.048 0.000 2.821 26 T HA -0.067 4.283 4.350 0.000 0.000 0.267 26 T C 2.255 176.945 174.700 -0.017 0.000 1.046 26 T CA 1.544 63.631 62.100 -0.022 0.000 1.139 26 T CB -0.335 68.529 68.868 -0.005 0.000 0.871 26 T HN 0.406 nan 8.240 nan 0.000 0.454 27 Q N 1.026 120.809 119.800 -0.029 0.000 2.124 27 Q HA 0.064 4.404 4.340 0.000 0.000 0.202 27 Q C 2.822 178.798 176.000 -0.041 0.000 0.977 27 Q CA 1.407 57.195 55.803 -0.025 0.000 0.850 27 Q CB -0.461 28.258 28.738 -0.032 0.000 0.901 27 Q HN 0.731 nan 8.270 nan 0.000 0.429 28 A N 0.906 123.689 122.820 -0.062 0.000 1.902 28 A HA -0.157 4.163 4.320 0.000 0.000 0.217 28 A C 2.057 179.587 177.584 -0.091 0.000 1.181 28 A CA 1.064 53.042 52.037 -0.099 0.000 0.623 28 A CB -0.656 18.275 19.000 -0.114 0.000 0.818 28 A HN 0.288 nan 8.150 nan 0.000 0.443 29 L N -0.856 120.335 121.223 -0.054 0.000 2.083 29 L HA -0.258 4.082 4.340 0.000 0.000 0.209 29 L C 2.879 179.745 176.870 -0.007 0.000 1.083 29 L CA 1.482 56.305 54.840 -0.028 0.000 0.752 29 L CB -0.546 41.507 42.059 -0.010 0.000 0.899 29 L HN 0.500 nan 8.230 nan 0.000 0.433 30 Q N -0.678 119.120 119.800 -0.004 0.000 2.050 30 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 30 Q C 2.387 178.399 176.000 0.020 0.000 0.980 30 Q CA 1.494 57.305 55.803 0.013 0.000 0.840 30 Q CB -0.189 28.558 28.738 0.015 0.000 0.898 30 Q HN 0.343 nan 8.270 nan 0.000 0.424 31 V N 1.195 121.109 119.914 -0.001 0.000 2.287 31 V HA -0.288 3.832 4.120 0.000 0.000 0.248 31 V C 2.144 178.280 176.094 0.070 0.000 1.053 31 V CA 1.718 64.028 62.300 0.017 0.000 1.027 31 V CB -0.493 31.304 31.823 -0.043 0.000 0.646 31 V HN 0.351 nan 8.190 nan 0.000 0.447 32 I N 0.352 120.928 120.570 0.010 0.000 2.226 32 I HA -0.228 3.942 4.170 0.000 0.000 0.245 32 I C 2.672 178.869 176.117 0.133 0.000 1.100 32 I CA 1.466 62.829 61.300 0.105 0.000 1.374 32 I CB -0.633 37.374 38.000 0.011 0.000 1.057 32 I HN 0.285 nan 8.210 nan 0.000 0.413 33 A N 0.469 123.333 122.820 0.075 0.000 1.940 33 A HA -0.245 4.075 4.320 0.000 0.000 0.219 33 A C 1.844 179.470 177.584 0.070 0.000 1.176 33 A CA 2.171 54.247 52.037 0.064 0.000 0.631 33 A CB -0.563 18.463 19.000 0.043 0.000 0.814 33 A HN 0.358 nan 8.150 nan 0.000 0.446 34 D N -0.075 120.371 120.400 0.077 0.000 2.317 34 D HA -0.007 4.633 4.640 0.000 0.000 0.211 34 D C 0.094 176.447 176.300 0.089 0.000 0.966 34 D CA 0.597 54.641 54.000 0.073 0.000 0.876 34 D CB -0.086 40.755 40.800 0.068 0.000 0.927 34 D HN 0.404 nan 8.370 nan 0.000 0.519 35 N N 0.744 119.527 118.700 0.138 0.000 2.757 35 N HA 0.102 4.842 4.740 0.000 0.000 0.296 35 N C -2.102 173.468 175.510 0.100 0.000 1.874 35 N CA -0.864 52.263 53.050 0.127 0.000 0.885 35 N CB 2.005 40.616 38.487 0.207 0.000 1.242 35 N HN 0.072 nan 8.380 nan 0.000 0.488 36 P HA -0.113 nan 4.420 nan 0.000 0.223 36 P C 0.880 178.179 177.300 -0.001 0.000 1.151 36 P CA 1.110 64.241 63.100 0.051 0.000 0.787 36 P CB 0.308 32.031 31.700 0.040 0.000 0.788 37 D N -0.200 120.179 120.400 -0.034 0.000 2.144 37 D HA -0.171 4.469 4.640 0.000 0.000 0.199 37 D C 1.791 177.996 176.300 -0.159 0.000 0.984 37 D CA 1.033 54.987 54.000 -0.075 0.000 0.834 37 D CB -0.457 40.302 40.800 -0.070 0.000 0.955 37 D HN 0.080 nan 8.370 nan 0.000 0.465 38 R N -0.480 119.845 120.500 -0.291 0.000 2.156 38 R HA 0.261 4.601 4.340 0.000 0.000 0.207 38 R C 0.220 176.072 176.300 -0.746 0.000 1.040 38 R CA 0.207 55.911 56.100 -0.659 0.000 1.013 38 R CB 0.082 29.710 30.300 -1.121 0.000 0.931 38 R HN 0.252 nan 8.270 nan 0.000 0.465 39 F N 0.359 120.318 119.950 0.016 0.000 2.576 39 F HA 0.321 4.848 4.527 -0.000 0.000 0.313 39 F C -0.274 175.535 175.800 0.016 0.000 1.078 39 F CA -1.268 56.743 58.000 0.017 0.000 0.921 39 F CB 1.991 41.003 39.000 0.020 0.000 1.232 39 F HN -0.142 nan 8.300 nan 0.000 0.459 40 E N 0.528 120.856 120.200 0.213 0.000 2.256 40 E HA 0.635 4.985 4.350 0.000 0.000 0.268 40 E C -1.810 174.851 176.600 0.103 0.000 0.877 40 E CA -1.064 55.413 56.400 0.127 0.000 0.757 40 E CB 2.136 31.884 29.700 0.080 0.000 1.183 40 E HN 0.343 nan 8.360 nan 0.000 0.418 41 V N 3.408 123.367 119.914 0.075 0.000 2.555 41 V HA 0.092 4.212 4.120 0.000 0.000 0.286 41 V C 0.968 177.089 176.094 0.045 0.000 1.044 41 V CA 0.006 62.334 62.300 0.048 0.000 1.026 41 V CB 0.840 32.684 31.823 0.035 0.000 0.981 41 V HN 0.776 nan 8.190 nan 0.000 0.480 42 V N 1.005 120.942 119.914 0.038 0.000 3.432 42 V HA 0.752 4.872 4.120 0.000 0.000 0.298 42 V C 0.563 176.678 176.094 0.034 0.000 1.464 42 V CA 0.504 62.826 62.300 0.038 0.000 1.046 42 V CB 0.240 32.085 31.823 0.037 0.000 0.887 42 V HN 1.004 nan 8.190 nan 0.000 0.441 43 G N 0.408 109.223 108.800 0.026 0.000 2.702 43 G HA2 0.666 4.626 3.960 0.000 0.000 0.296 43 G HA3 0.666 4.626 3.960 0.000 0.000 0.296 43 G C -1.893 173.016 174.900 0.016 0.000 1.463 43 G CA -0.676 44.437 45.100 0.022 0.000 0.890 43 G HN 0.213 nan 8.290 nan 0.000 0.534 44 L N 0.652 121.891 121.223 0.026 0.000 2.431 44 L HA 0.852 5.192 4.340 0.000 0.000 0.266 44 L C 0.059 176.946 176.870 0.028 0.000 0.978 44 L CA -0.965 53.889 54.840 0.022 0.000 0.822 44 L CB 2.429 44.507 42.059 0.032 0.000 1.310 44 L HN 0.843 nan 8.230 nan 0.000 0.409 45 A N 2.214 125.044 122.820 0.016 0.000 2.393 45 A HA 1.001 5.321 4.320 0.000 0.000 0.306 45 A C -0.997 176.603 177.584 0.025 0.000 1.050 45 A CA -0.195 51.854 52.037 0.021 0.000 0.724 45 A CB 1.940 20.937 19.000 -0.005 0.000 1.248 45 A HN 0.834 nan 8.150 nan 0.000 0.424 46 A N 0.578 123.423 122.820 0.042 0.000 2.583 46 A HA 0.774 5.095 4.320 0.000 0.000 0.289 46 A C 0.884 178.501 177.584 0.055 0.000 1.151 46 A CA 0.021 52.087 52.037 0.048 0.000 0.695 46 A CB 0.534 19.573 19.000 0.064 0.000 1.290 46 A HN 1.794 nan 8.150 nan 0.000 0.419 47 G N -0.905 107.931 108.800 0.061 0.000 2.394 47 G HA2 0.371 4.331 3.960 0.000 0.000 0.214 47 G HA3 0.371 4.331 3.960 0.000 0.000 0.214 47 G C 1.209 176.140 174.900 0.052 0.000 1.176 47 G CA 1.600 46.731 45.100 0.052 0.000 0.786 47 G HN 2.397 nan 8.290 nan 0.000 0.533 48 G N -0.968 107.866 108.800 0.057 0.000 2.480 48 G HA2 0.080 4.040 3.960 0.000 0.000 0.193 48 G HA3 0.080 4.040 3.960 0.000 0.000 0.193 48 G C 1.429 176.331 174.900 0.004 0.000 1.004 48 G CA 0.963 46.089 45.100 0.042 0.000 0.696 48 G HN 1.123 nan 8.290 nan 0.000 0.478 49 A N 0.096 122.892 122.820 -0.041 0.000 1.972 49 A HA 0.203 4.523 4.320 0.000 0.000 0.219 49 A C 1.294 178.677 177.584 -0.335 0.000 1.169 49 A CA 1.960 53.883 52.037 -0.190 0.000 0.635 49 A CB -0.413 18.433 19.000 -0.257 0.000 0.810 49 A HN 0.714 nan 8.150 nan 0.000 0.446 50 H N -1.264 117.825 119.070 0.032 0.000 2.507 50 H HA 0.346 4.902 4.556 0.000 0.000 0.271 50 H C 0.929 176.279 175.328 0.037 0.000 1.224 50 H CA -0.354 55.718 56.048 0.039 0.000 1.000 50 H CB 0.438 30.226 29.762 0.042 0.000 1.663 50 H HN 0.312 nan 8.280 nan 0.000 0.548 51 L N 0.237 121.512 121.223 0.086 0.000 2.046 51 L HA -0.151 4.189 4.340 0.000 0.000 0.208 51 L C 1.295 178.207 176.870 0.069 0.000 1.077 51 L CA 1.883 56.764 54.840 0.069 0.000 0.747 51 L CB -0.004 42.080 42.059 0.041 0.000 0.896 51 L HN 0.308 nan 8.230 nan 0.000 0.432 52 D N -0.850 119.591 120.400 0.070 0.000 2.123 52 D HA -0.179 4.461 4.640 0.000 0.000 0.196 52 D C 2.095 178.438 176.300 0.072 0.000 0.992 52 D CA 1.916 55.954 54.000 0.063 0.000 0.833 52 D CB -0.487 40.349 40.800 0.060 0.000 0.954 52 D HN 0.389 nan 8.370 nan 0.000 0.455 53 T N 1.284 115.899 114.554 0.101 0.000 2.684 53 T HA -0.158 4.192 4.350 0.000 0.000 0.267 53 T C 1.938 176.679 174.700 0.069 0.000 1.036 53 T CA 0.725 62.878 62.100 0.089 0.000 1.148 53 T CB -0.458 68.472 68.868 0.104 0.000 0.863 53 T HN 0.041 nan 8.240 nan 0.000 0.436 54 L N 0.984 122.252 121.223 0.075 0.000 2.043 54 L HA -0.038 4.302 4.340 0.000 0.000 0.212 54 L C 2.157 179.058 176.870 0.051 0.000 1.075 54 L CA 1.627 56.503 54.840 0.060 0.000 0.752 54 L CB -0.714 41.385 42.059 0.066 0.000 0.891 54 L HN 0.274 nan 8.230 nan 0.000 0.432 55 L N -1.139 120.113 121.223 0.049 0.000 2.093 55 L HA -0.178 4.162 4.340 0.000 0.000 0.208 55 L C 2.764 179.655 176.870 0.035 0.000 1.085 55 L CA 1.150 56.013 54.840 0.039 0.000 0.755 55 L CB -0.530 41.549 42.059 0.033 0.000 0.904 55 L HN 0.249 nan 8.230 nan 0.000 0.435 56 R N -0.195 120.328 120.500 0.038 0.000 2.081 56 R HA -0.182 4.158 4.340 0.000 0.000 0.235 56 R C 2.309 178.628 176.300 0.032 0.000 1.131 56 R CA 1.365 57.485 56.100 0.033 0.000 0.960 56 R CB -0.294 30.028 30.300 0.036 0.000 0.856 56 R HN 0.501 nan 8.270 nan 0.000 0.436 57 Q N 0.022 119.843 119.800 0.036 0.000 2.084 57 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 57 Q C 2.204 178.224 176.000 0.032 0.000 0.978 57 Q CA 1.462 57.285 55.803 0.033 0.000 0.844 57 Q CB -0.183 28.575 28.738 0.034 0.000 0.898 57 Q HN 0.261 nan 8.270 nan 0.000 0.426 58 R N 0.575 121.096 120.500 0.035 0.000 2.083 58 R HA -0.194 4.146 4.340 0.000 0.000 0.237 58 R C 2.161 178.478 176.300 0.029 0.000 1.137 58 R CA 1.491 57.612 56.100 0.034 0.000 0.951 58 R CB -0.328 29.994 30.300 0.036 0.000 0.851 58 R HN 0.245 nan 8.270 nan 0.000 0.434 59 A N 0.523 123.359 122.820 0.027 0.000 1.902 59 A HA -0.212 4.108 4.320 0.000 0.000 0.217 59 A C 2.096 179.694 177.584 0.022 0.000 1.181 59 A CA 1.611 53.661 52.037 0.023 0.000 0.623 59 A CB -0.477 18.536 19.000 0.021 0.000 0.818 59 A HN 0.547 nan 8.150 nan 0.000 0.443 60 Q N -0.840 118.975 119.800 0.024 0.000 2.049 60 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 60 Q C 2.305 178.320 176.000 0.025 0.000 0.971 60 Q CA 2.067 57.884 55.803 0.023 0.000 0.833 60 Q CB -0.314 28.439 28.738 0.024 0.000 0.896 60 Q HN 0.861 nan 8.270 nan 0.000 0.434 61 T N -3.793 110.778 114.554 0.027 0.000 3.043 61 T HA 0.176 4.526 4.350 0.000 0.000 0.263 61 T C 1.548 176.266 174.700 0.029 0.000 1.094 61 T CA 0.590 62.708 62.100 0.030 0.000 1.127 61 T CB 0.188 69.075 68.868 0.031 0.000 0.905 61 T HN 0.464 nan 8.240 nan 0.000 0.490 62 G N 0.910 109.727 108.800 0.028 0.000 2.184 62 G HA2 -0.248 3.712 3.960 0.000 0.000 0.264 62 G HA3 -0.248 3.712 3.960 0.000 0.000 0.264 62 G C 0.140 175.058 174.900 0.031 0.000 0.975 62 G CA 0.080 45.196 45.100 0.027 0.000 0.642 62 G HN 0.732 nan 8.290 nan 0.000 0.536 63 V N 2.186 122.121 119.914 0.035 0.000 2.415 63 V HA 0.375 4.495 4.120 0.000 0.000 0.267 63 V C 1.764 177.886 176.094 0.045 0.000 1.042 63 V CA 1.135 63.460 62.300 0.041 0.000 1.000 63 V CB 0.824 32.672 31.823 0.041 0.000 1.015 63 V HN 0.661 nan 8.190 nan 0.000 0.478 64 T N 0.677 115.260 114.554 0.048 0.000 3.044 64 T HA 0.029 4.379 4.350 0.000 0.000 0.250 64 T C 0.910 175.655 174.700 0.074 0.000 1.081 64 T CA 0.007 62.138 62.100 0.051 0.000 1.040 64 T CB -0.292 68.599 68.868 0.038 0.000 0.962 64 T HN 0.449 nan 8.240 nan 0.000 0.506 65 N N 2.621 121.374 118.700 0.090 0.000 2.671 65 N HA 0.291 5.031 4.740 0.000 0.000 0.274 65 N C -0.376 175.222 175.510 0.147 0.000 1.188 65 N CA -0.658 52.477 53.050 0.142 0.000 1.065 65 N CB -0.639 37.922 38.487 0.124 0.000 1.415 65 N HN 0.735 nan 8.380 nan 0.000 0.511 66 I N -1.235 119.442 120.570 0.178 0.000 2.892 66 I HA 0.921 5.091 4.170 0.000 0.000 0.306 66 I C -0.984 175.263 176.117 0.218 0.000 1.078 66 I CA -1.434 59.956 61.300 0.149 0.000 1.032 66 I CB 2.318 40.377 38.000 0.098 0.000 1.229 66 I HN 0.207 nan 8.210 nan 0.000 0.435 67 A N 4.088 127.001 122.820 0.156 0.000 2.393 67 A HA 0.823 5.143 4.320 0.000 0.000 0.306 67 A C -1.255 176.401 177.584 0.121 0.000 1.050 67 A CA -0.613 51.526 52.037 0.170 0.000 0.724 67 A CB 1.913 20.971 19.000 0.097 0.000 1.248 67 A HN 0.584 nan 8.150 nan 0.000 0.424 68 V N 2.222 122.219 119.914 0.139 0.000 2.482 68 V HA 0.498 4.618 4.120 0.000 0.000 0.295 68 V C 1.093 177.256 176.094 0.114 0.000 1.026 68 V CA 0.159 62.526 62.300 0.111 0.000 0.856 68 V CB 1.142 33.029 31.823 0.107 0.000 1.001 68 V HN 1.277 nan 8.190 nan 0.000 0.424 69 A N 2.806 125.674 122.820 0.081 0.000 1.898 69 A HA -0.078 4.242 4.320 0.000 0.000 0.216 69 A C 1.169 178.799 177.584 0.077 0.000 1.181 69 A CA 1.180 53.258 52.037 0.069 0.000 0.620 69 A CB -0.144 18.882 19.000 0.043 0.000 0.819 69 A HN 0.803 nan 8.150 nan 0.000 0.442 70 D N -0.328 120.115 120.400 0.073 0.000 2.338 70 D HA 0.138 4.778 4.640 0.000 0.000 0.255 70 D C 0.803 177.166 176.300 0.105 0.000 1.237 70 D CA 0.029 54.074 54.000 0.074 0.000 0.883 70 D CB 1.133 41.967 40.800 0.057 0.000 1.087 70 D HN 0.312 nan 8.370 nan 0.000 0.485 71 E N 3.387 123.661 120.200 0.122 0.000 2.110 71 E HA -0.209 4.141 4.350 0.000 0.000 0.193 71 E C 1.532 178.205 176.600 0.123 0.000 0.988 71 E CA 1.386 57.867 56.400 0.135 0.000 0.804 71 E CB -0.041 29.747 29.700 0.147 0.000 0.745 71 E HN 0.603 nan 8.360 nan 0.000 0.458 72 H N -0.813 118.264 119.070 0.011 0.000 2.289 72 H HA -0.177 4.379 4.556 0.000 0.000 0.296 72 H C 1.889 177.211 175.328 -0.010 0.000 1.091 72 H CA 1.420 57.466 56.048 -0.003 0.000 1.274 72 H CB -0.041 29.720 29.762 -0.002 0.000 1.364 72 H HN 0.351 nan 8.280 nan 0.000 0.490 73 A N 1.075 123.969 122.820 0.123 0.000 1.908 73 A HA -0.155 4.165 4.320 0.000 0.000 0.218 73 A C 2.616 180.210 177.584 0.016 0.000 1.181 73 A CA 1.689 53.758 52.037 0.055 0.000 0.627 73 A CB -0.894 18.138 19.000 0.053 0.000 0.818 73 A HN 0.504 nan 8.150 nan 0.000 0.445 74 A N -1.153 121.677 122.820 0.016 0.000 2.019 74 A HA -0.164 4.156 4.320 0.000 0.000 0.219 74 A C 1.970 179.488 177.584 -0.108 0.000 1.164 74 A CA 1.525 53.539 52.037 -0.038 0.000 0.644 74 A CB -0.420 18.562 19.000 -0.031 0.000 0.805 74 A HN 0.527 nan 8.150 nan 0.000 0.449 75 Q N -0.145 119.596 119.800 -0.098 0.000 2.291 75 Q HA -0.113 4.227 4.340 0.000 0.000 0.206 75 Q C 1.740 177.681 176.000 -0.098 0.000 0.976 75 Q CA 1.030 56.759 55.803 -0.123 0.000 0.875 75 Q CB -0.301 28.344 28.738 -0.154 0.000 0.927 75 Q HN 0.720 nan 8.270 nan 0.000 0.450 76 R N -0.296 120.162 120.500 -0.070 0.000 2.307 76 R HA 0.031 4.371 4.340 0.000 0.000 0.199 76 R C 1.657 177.931 176.300 -0.042 0.000 1.000 76 R CA 0.425 56.496 56.100 -0.049 0.000 1.023 76 R CB 0.416 30.700 30.300 -0.028 0.000 0.908 76 R HN 0.050 nan 8.270 nan 0.000 0.473 77 V N -2.207 117.675 119.914 -0.053 0.000 3.029 77 V HA 0.273 4.393 4.120 0.000 0.000 0.230 77 V C 1.489 177.553 176.094 -0.051 0.000 1.254 77 V CA 0.828 63.104 62.300 -0.041 0.000 1.276 77 V CB 0.398 32.205 31.823 -0.026 0.000 1.080 77 V HN 0.410 nan 8.190 nan 0.000 0.495 78 G N 1.929 110.680 108.800 -0.082 0.000 2.234 78 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 78 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 78 G C 0.261 175.125 174.900 -0.059 0.000 0.987 78 G CA 0.693 45.745 45.100 -0.080 0.000 0.625 78 G HN 0.741 nan 8.290 nan 0.000 0.532 79 D N -0.271 120.105 120.400 -0.041 0.000 2.650 79 D HA 0.342 4.982 4.640 0.000 0.000 0.265 79 D C 0.429 176.728 176.300 -0.001 0.000 1.339 79 D CA -0.569 53.419 54.000 -0.019 0.000 0.816 79 D CB -0.514 40.279 40.800 -0.011 0.000 1.091 79 D HN 0.389 nan 8.370 nan 0.000 0.483 80 I N 1.979 122.553 120.570 0.007 0.000 2.337 80 I HA 0.175 4.345 4.170 0.000 0.000 0.291 80 I C -1.076 175.096 176.117 0.091 0.000 1.046 80 I CA -1.821 59.517 61.300 0.064 0.000 1.324 80 I CB 1.615 39.668 38.000 0.089 0.000 1.409 80 I HN -0.196 nan 8.210 nan 0.000 0.494 81 P HA -0.134 nan 4.420 nan 0.000 0.218 81 P C -0.394 176.584 177.300 -0.537 0.000 1.149 81 P CA 1.418 64.344 63.100 -0.291 0.000 0.817 81 P CB 0.076 31.546 31.700 -0.383 0.000 0.785 82 Y N 0.745 121.089 120.300 0.072 0.000 2.332 82 Y HA 0.372 4.922 4.550 0.000 0.000 0.326 82 Y C 0.805 176.733 175.900 0.046 0.000 0.978 82 Y CA -0.957 57.135 58.100 -0.014 0.000 1.205 82 Y CB 1.146 39.600 38.460 -0.010 0.000 1.131 82 Y HN 0.063 nan 8.280 nan 0.000 0.462 83 H N 0.947 120.089 119.070 0.120 0.000 2.961 83 H HA 0.846 5.402 4.556 -0.000 0.000 0.371 83 H C 0.080 175.451 175.328 0.071 0.000 1.190 83 H CA -1.092 55.004 56.048 0.081 0.000 1.138 83 H CB 1.928 31.718 29.762 0.046 0.000 1.816 83 H HN 0.874 nan 8.280 nan 0.000 0.551 84 G N 1.019 109.918 108.800 0.165 0.000 2.549 84 G HA2 -0.114 3.846 3.960 0.000 0.000 0.404 84 G HA3 -0.114 3.846 3.960 0.000 0.000 0.404 84 G C -0.528 174.407 174.900 0.060 0.000 1.292 84 G CA -0.433 44.728 45.100 0.102 0.000 0.935 84 G HN 1.273 nan 8.290 nan 0.000 0.512 85 S N 0.063 115.789 115.700 0.042 0.000 2.549 85 S HA 0.439 4.909 4.470 0.000 0.000 0.286 85 S C 0.644 175.254 174.600 0.017 0.000 1.314 85 S CA 1.026 59.242 58.200 0.027 0.000 1.062 85 S CB 1.298 64.510 63.200 0.020 0.000 0.865 85 S HN 1.567 nan 8.310 nan 0.000 0.498 86 D N 0.504 120.910 120.400 0.011 0.000 3.041 86 D HA -0.218 4.422 4.640 0.000 0.000 0.220 86 D C 1.103 177.402 176.300 -0.002 0.000 1.157 86 D CA 1.044 55.043 54.000 -0.001 0.000 0.876 86 D CB -1.489 39.309 40.800 -0.004 0.000 1.107 86 D HN 0.751 nan 8.370 nan 0.000 0.422 87 A N 0.518 123.349 122.820 0.019 0.000 1.908 87 A HA 0.033 4.353 4.320 0.000 0.000 0.218 87 A C 2.528 180.093 177.584 -0.031 0.000 1.181 87 A CA 2.787 54.850 52.037 0.043 0.000 0.627 87 A CB -0.493 18.565 19.000 0.097 0.000 0.818 87 A HN 0.489 nan 8.150 nan 0.000 0.445 88 A N -1.050 121.751 122.820 -0.032 0.000 1.902 88 A HA -0.100 4.220 4.320 0.000 0.000 0.217 88 A C 2.314 179.833 177.584 -0.109 0.000 1.181 88 A CA 2.367 54.363 52.037 -0.069 0.000 0.623 88 A CB -1.330 17.648 19.000 -0.037 0.000 0.818 88 A HN 0.446 nan 8.150 nan 0.000 0.443 89 T N -0.335 114.170 114.554 -0.080 0.000 2.652 89 T HA -0.168 4.182 4.350 0.000 0.000 0.267 89 T C 2.073 176.699 174.700 -0.124 0.000 1.039 89 T CA 1.651 63.702 62.100 -0.082 0.000 1.153 89 T CB -0.261 68.578 68.868 -0.048 0.000 0.863 89 T HN 0.512 nan 8.240 nan 0.000 0.428 90 R N 0.359 120.779 120.500 -0.134 0.000 2.091 90 R HA -0.001 4.339 4.340 0.000 0.000 0.238 90 R C 2.523 178.539 176.300 -0.473 0.000 1.136 90 R CA 1.097 57.090 56.100 -0.177 0.000 0.959 90 R CB -0.625 29.664 30.300 -0.018 0.000 0.856 90 R HN 0.336 nan 8.270 nan 0.000 0.437 91 L N 0.664 121.453 121.223 -0.724 0.000 2.042 91 L HA -0.193 4.147 4.340 0.000 0.000 0.210 91 L C 2.098 178.731 176.870 -0.394 0.000 1.076 91 L CA 1.308 55.615 54.840 -0.888 0.000 0.749 91 L CB -0.140 41.555 42.059 -0.607 0.000 0.893 91 L HN -0.016 nan 8.230 nan 0.000 0.432 92 V N 0.074 119.842 119.914 -0.243 0.000 2.343 92 V HA -0.287 3.833 4.120 0.000 0.000 0.247 92 V C 2.385 178.414 176.094 -0.109 0.000 1.051 92 V CA 2.168 64.386 62.300 -0.137 0.000 1.036 92 V CB -0.599 31.166 31.823 -0.098 0.000 0.654 92 V HN 0.511 nan 8.190 nan 0.000 0.451 93 E N -0.276 119.856 120.200 -0.113 0.000 2.153 93 E HA -0.238 4.112 4.350 0.000 0.000 0.194 93 E C 1.958 178.528 176.600 -0.049 0.000 0.988 93 E CA 1.165 57.525 56.400 -0.067 0.000 0.811 93 E CB -0.074 29.595 29.700 -0.052 0.000 0.746 93 E HN 0.665 nan 8.360 nan 0.000 0.466 94 Q N -0.249 119.507 119.800 -0.073 0.000 2.219 94 Q HA 0.111 4.451 4.340 0.000 0.000 0.209 94 Q C -0.503 175.499 176.000 0.002 0.000 0.854 94 Q CA 0.131 55.930 55.803 -0.007 0.000 0.960 94 Q CB 1.383 30.166 28.738 0.074 0.000 1.116 94 Q HN -0.037 nan 8.270 nan 0.000 0.500 95 T N 1.047 115.580 114.554 -0.035 0.000 2.786 95 T HA 0.214 4.564 4.350 0.000 0.000 0.283 95 T C -0.534 174.164 174.700 -0.005 0.000 0.992 95 T CA -0.541 61.552 62.100 -0.012 0.000 0.954 95 T CB 1.591 70.439 68.868 -0.033 0.000 0.934 95 T HN 0.050 nan 8.240 nan 0.000 0.440 96 E N 1.969 122.176 120.200 0.011 0.000 2.299 96 E HA 0.481 4.831 4.350 0.000 0.000 0.272 96 E C -0.330 176.279 176.600 0.015 0.000 1.043 96 E CA -0.239 56.168 56.400 0.013 0.000 0.895 96 E CB 0.621 30.332 29.700 0.018 0.000 1.011 96 E HN 0.739 nan 8.360 nan 0.000 0.432 97 A N 3.547 126.375 122.820 0.014 0.000 2.609 97 A HA 0.289 4.609 4.320 0.000 0.000 0.291 97 A C -0.358 177.242 177.584 0.026 0.000 1.096 97 A CA -0.730 51.320 52.037 0.021 0.000 0.684 97 A CB 1.380 20.388 19.000 0.013 0.000 1.282 97 A HN 0.576 nan 8.150 nan 0.000 0.412 98 D N -0.538 119.886 120.400 0.041 0.000 2.323 98 D HA 0.195 4.835 4.640 0.000 0.000 0.218 98 D C 0.135 176.467 176.300 0.053 0.000 0.973 98 D CA 1.317 55.347 54.000 0.050 0.000 0.890 98 D CB 0.616 41.456 40.800 0.066 0.000 1.011 98 D HN 0.230 nan 8.370 nan 0.000 0.499 99 V N 1.539 121.485 119.914 0.053 0.000 2.638 99 V HA 0.313 4.433 4.120 0.000 0.000 0.306 99 V C -0.266 175.835 176.094 0.012 0.000 1.052 99 V CA -0.852 61.473 62.300 0.041 0.000 0.885 99 V CB 2.885 34.747 31.823 0.064 0.000 0.999 99 V HN -0.245 nan 8.190 nan 0.000 0.424 100 V N 5.430 125.341 119.914 -0.006 0.000 2.357 100 V HA 0.410 4.531 4.120 0.000 0.000 0.284 100 V C -0.333 175.740 176.094 -0.034 0.000 1.018 100 V CA -0.542 61.744 62.300 -0.023 0.000 0.841 100 V CB 1.562 33.366 31.823 -0.030 0.000 0.991 100 V HN 0.685 nan 8.190 nan 0.000 0.437 101 L N 5.350 126.547 121.223 -0.042 0.000 2.261 101 L HA 0.503 4.843 4.340 0.000 0.000 0.289 101 L C 0.113 176.953 176.870 -0.049 0.000 1.059 101 L CA 0.311 55.119 54.840 -0.052 0.000 0.816 101 L CB 0.630 42.648 42.059 -0.067 0.000 1.191 101 L HN 0.607 nan 8.230 nan 0.000 0.431 102 N N 4.451 123.121 118.700 -0.049 0.000 2.558 102 N HA 0.396 5.136 4.740 0.000 0.000 0.233 102 N C -0.127 175.357 175.510 -0.044 0.000 1.038 102 N CA 0.241 53.264 53.050 -0.045 0.000 0.934 102 N CB 1.232 39.691 38.487 -0.046 0.000 1.175 102 N HN 0.710 nan 8.380 nan 0.000 0.512 103 A N 4.532 127.326 122.820 -0.043 0.000 2.630 103 A HA 0.304 4.624 4.320 0.000 0.000 0.290 103 A C 0.442 178.004 177.584 -0.037 0.000 1.267 103 A CA -0.399 51.612 52.037 -0.043 0.000 0.950 103 A CB -0.211 18.759 19.000 -0.050 0.000 1.144 103 A HN 0.574 nan 8.150 nan 0.000 0.527 104 L N -0.368 120.836 121.223 -0.031 0.000 2.464 104 L HA 0.323 4.663 4.340 0.000 0.000 0.264 104 L C 0.345 177.201 176.870 -0.022 0.000 1.199 104 L CA -0.294 54.532 54.840 -0.023 0.000 0.818 104 L CB 1.285 43.332 42.059 -0.020 0.000 1.102 104 L HN 0.107 nan 8.230 nan 0.000 0.473 105 V N 2.166 122.070 119.914 -0.017 0.000 2.483 105 V HA 0.787 4.907 4.120 0.000 0.000 0.295 105 V C 0.556 176.642 176.094 -0.013 0.000 1.035 105 V CA 0.577 62.868 62.300 -0.016 0.000 0.896 105 V CB 0.789 32.603 31.823 -0.015 0.000 0.986 105 V HN 0.995 nan 8.190 nan 0.000 0.447 106 G N 5.163 113.955 108.800 -0.013 0.000 2.601 106 G HA2 -0.071 3.889 3.960 0.000 0.000 0.252 106 G HA3 -0.071 3.889 3.960 0.000 0.000 0.252 106 G C 1.037 175.928 174.900 -0.015 0.000 1.294 106 G CA 0.197 45.289 45.100 -0.013 0.000 0.912 106 G HN 2.108 nan 8.290 nan 0.000 0.574 107 A N -0.803 122.007 122.820 -0.016 0.000 2.032 107 A HA 0.066 4.386 4.320 0.000 0.000 0.221 107 A C 2.558 180.132 177.584 -0.016 0.000 1.165 107 A CA 3.107 55.133 52.037 -0.018 0.000 0.645 107 A CB -0.623 18.365 19.000 -0.020 0.000 0.807 107 A HN 1.936 nan 8.150 nan 0.000 0.453 108 L N -2.683 118.531 121.223 -0.014 0.000 2.622 108 L HA 0.297 4.637 4.340 0.000 0.000 0.233 108 L C 1.797 178.657 176.870 -0.016 0.000 1.156 108 L CA 1.281 56.114 54.840 -0.012 0.000 0.866 108 L CB -0.880 41.175 42.059 -0.007 0.000 0.980 108 L HN 0.076 nan 8.230 nan 0.000 0.448 109 G N 0.007 108.796 108.800 -0.019 0.000 2.551 109 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 109 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 109 G C 1.346 176.229 174.900 -0.028 0.000 1.137 109 G CA 0.530 45.615 45.100 -0.025 0.000 0.798 109 G HN 0.325 nan 8.290 nan 0.000 0.536 110 L N 0.815 122.023 121.223 -0.025 0.000 1.994 110 L HA 0.098 4.438 4.340 0.000 0.000 0.208 110 L C 2.815 179.669 176.870 -0.027 0.000 1.071 110 L CA 1.697 56.521 54.840 -0.026 0.000 0.745 110 L CB -0.562 41.483 42.059 -0.023 0.000 0.892 110 L HN 0.092 nan 8.230 nan 0.000 0.431 111 R N -0.423 120.063 120.500 -0.024 0.000 2.073 111 R HA -0.123 4.217 4.340 0.000 0.000 0.234 111 R C -0.103 176.179 176.300 -0.031 0.000 1.134 111 R CA 1.830 57.916 56.100 -0.024 0.000 0.952 111 R CB -1.723 28.565 30.300 -0.020 0.000 0.850 111 R HN 0.407 nan 8.270 nan 0.000 0.433 112 P HA -0.107 nan 4.420 nan 0.000 0.215 112 P C 1.128 178.403 177.300 -0.042 0.000 1.153 112 P CA 1.433 64.507 63.100 -0.042 0.000 0.853 112 P CB -0.051 31.624 31.700 -0.043 0.000 0.788 113 T N -0.190 114.339 114.554 -0.040 0.000 2.665 113 T HA -0.150 4.200 4.350 0.000 0.000 0.268 113 T C 1.710 176.386 174.700 -0.041 0.000 1.035 113 T CA 1.253 63.327 62.100 -0.044 0.000 1.151 113 T CB -0.985 67.855 68.868 -0.046 0.000 0.862 113 T HN 0.051 nan 8.240 nan 0.000 0.438 114 L N 0.537 121.738 121.223 -0.036 0.000 2.046 114 L HA -0.102 4.238 4.340 0.000 0.000 0.208 114 L C 3.011 179.863 176.870 -0.031 0.000 1.077 114 L CA 1.276 56.097 54.840 -0.032 0.000 0.747 114 L CB -0.650 41.393 42.059 -0.026 0.000 0.896 114 L HN 0.243 nan 8.230 nan 0.000 0.432 115 A N -0.026 122.774 122.820 -0.034 0.000 1.898 115 A HA -0.130 4.190 4.320 0.000 0.000 0.216 115 A C 2.537 180.100 177.584 -0.036 0.000 1.181 115 A CA 1.620 53.636 52.037 -0.036 0.000 0.620 115 A CB -0.660 18.314 19.000 -0.044 0.000 0.819 115 A HN 0.391 nan 8.150 nan 0.000 0.442 116 A N -0.172 122.625 122.820 -0.039 0.000 1.902 116 A HA -0.037 4.283 4.320 0.000 0.000 0.217 116 A C 2.161 179.727 177.584 -0.031 0.000 1.181 116 A CA 1.478 53.493 52.037 -0.037 0.000 0.623 116 A CB -0.609 18.367 19.000 -0.040 0.000 0.818 116 A HN 0.472 nan 8.150 nan 0.000 0.443 117 L N -0.715 120.488 121.223 -0.033 0.000 2.046 117 L HA -0.195 4.145 4.340 0.000 0.000 0.208 117 L C 2.627 179.483 176.870 -0.023 0.000 1.077 117 L CA 1.914 56.736 54.840 -0.030 0.000 0.747 117 L CB -0.425 41.612 42.059 -0.036 0.000 0.896 117 L HN 0.445 nan 8.230 nan 0.000 0.432 118 K N 0.068 120.455 120.400 -0.022 0.000 2.147 118 K HA -0.188 4.132 4.320 0.000 0.000 0.205 118 K C 2.111 178.702 176.600 -0.014 0.000 1.049 118 K CA 1.817 58.094 56.287 -0.017 0.000 0.936 118 K CB -0.062 32.427 32.500 -0.017 0.000 0.722 118 K HN 0.435 nan 8.250 nan 0.000 0.446 119 T N -3.074 111.470 114.554 -0.016 0.000 2.962 119 T HA 0.000 4.350 4.350 0.000 0.000 0.270 119 T C 1.461 176.157 174.700 -0.006 0.000 1.088 119 T CA 1.213 63.305 62.100 -0.012 0.000 1.127 119 T CB -0.308 68.551 68.868 -0.016 0.000 0.883 119 T HN 0.435 nan 8.240 nan 0.000 0.493 120 G N 1.036 109.832 108.800 -0.007 0.000 2.175 120 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 120 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 120 G C 0.297 175.199 174.900 0.004 0.000 0.982 120 G CA 0.014 45.114 45.100 -0.002 0.000 0.641 120 G HN 1.203 nan 8.290 nan 0.000 0.527 121 A N -0.215 122.606 122.820 0.001 0.000 2.366 121 A HA 0.709 5.029 4.320 0.000 0.000 0.249 121 A C 0.806 178.395 177.584 0.008 0.000 1.084 121 A CA 0.555 52.597 52.037 0.008 0.000 0.794 121 A CB 0.247 19.250 19.000 0.003 0.000 1.034 121 A HN 0.787 nan 8.150 nan 0.000 0.491 122 R N -0.191 120.322 120.500 0.023 0.000 2.537 122 R HA 0.301 4.641 4.340 0.000 0.000 0.280 122 R C -0.841 175.458 176.300 -0.003 0.000 1.058 122 R CA -0.220 55.893 56.100 0.021 0.000 1.057 122 R CB 0.175 30.511 30.300 0.060 0.000 0.973 122 R HN 0.551 nan 8.270 nan 0.000 0.438 123 L N 4.534 125.740 121.223 -0.029 0.000 2.277 123 L HA 0.428 4.768 4.340 0.000 0.000 0.284 123 L C -0.793 176.039 176.870 -0.063 0.000 1.028 123 L CA -0.058 54.754 54.840 -0.046 0.000 0.835 123 L CB 1.214 43.238 42.059 -0.059 0.000 1.215 123 L HN 0.742 nan 8.230 nan 0.000 0.425 124 A N 5.586 128.376 122.820 -0.050 0.000 2.437 124 A HA 0.457 4.777 4.320 0.000 0.000 0.303 124 A C -0.639 176.905 177.584 -0.068 0.000 1.324 124 A CA -0.325 51.675 52.037 -0.061 0.000 0.983 124 A CB -0.286 18.687 19.000 -0.046 0.000 1.142 124 A HN 0.676 nan 8.150 nan 0.000 0.541 125 L N 3.411 124.584 121.223 -0.083 0.000 2.265 125 L HA 0.640 4.980 4.340 0.000 0.000 0.289 125 L C 0.791 177.627 176.870 -0.058 0.000 1.033 125 L CA 0.465 55.258 54.840 -0.077 0.000 0.814 125 L CB 1.218 43.216 42.059 -0.102 0.000 1.203 125 L HN 0.652 nan 8.230 nan 0.000 0.423 126 A N 4.047 126.840 122.820 -0.046 0.000 2.013 126 A HA 0.103 4.423 4.320 0.000 0.000 0.204 126 A C 0.971 178.541 177.584 -0.023 0.000 1.262 126 A CA -0.017 52.002 52.037 -0.030 0.000 0.800 126 A CB -0.328 18.650 19.000 -0.037 0.000 0.909 126 A HN 0.751 nan 8.150 nan 0.000 0.472 127 N N 1.104 119.785 118.700 -0.032 0.000 2.386 127 N HA -0.062 4.678 4.740 0.000 0.000 0.273 127 N C 0.508 176.005 175.510 -0.021 0.000 1.331 127 N CA 0.272 53.306 53.050 -0.026 0.000 0.891 127 N CB 0.474 38.942 38.487 -0.031 0.000 1.139 127 N HN 0.364 nan 8.380 nan 0.000 0.487 128 K N 3.112 123.509 120.400 -0.006 0.000 2.097 128 K HA -0.142 4.178 4.320 0.000 0.000 0.205 128 K C 1.140 177.740 176.600 -0.000 0.000 1.050 128 K CA 1.212 57.504 56.287 0.008 0.000 0.938 128 K CB 0.131 32.649 32.500 0.030 0.000 0.718 128 K HN 0.529 nan 8.250 nan 0.000 0.442 129 E N 0.778 120.975 120.200 -0.004 0.000 2.160 129 E HA -0.124 4.226 4.350 0.000 0.000 0.195 129 E C 1.936 178.526 176.600 -0.017 0.000 0.991 129 E CA 1.041 57.437 56.400 -0.007 0.000 0.810 129 E CB -0.171 29.522 29.700 -0.011 0.000 0.742 129 E HN 0.097 nan 8.360 nan 0.000 0.466 130 S N 0.005 115.688 115.700 -0.028 0.000 2.374 130 S HA -0.159 4.311 4.470 0.000 0.000 0.227 130 S C 1.802 176.376 174.600 -0.043 0.000 1.037 130 S CA 1.089 59.266 58.200 -0.038 0.000 1.024 130 S CB -0.161 63.009 63.200 -0.050 0.000 0.861 130 S HN 0.205 nan 8.310 nan 0.000 0.456 131 L N 0.148 121.342 121.223 -0.049 0.000 2.221 131 L HA 0.089 4.429 4.340 0.000 0.000 0.202 131 L C 2.225 179.084 176.870 -0.020 0.000 1.074 131 L CA 0.413 55.219 54.840 -0.055 0.000 0.795 131 L CB -0.365 41.634 42.059 -0.100 0.000 0.960 131 L HN 0.162 nan 8.230 nan 0.000 0.458 132 V N 0.088 120.002 119.914 -0.001 0.000 2.427 132 V HA -0.180 3.940 4.120 0.000 0.000 0.248 132 V C 2.480 178.589 176.094 0.025 0.000 1.051 132 V CA 1.894 64.211 62.300 0.029 0.000 1.048 132 V CB -0.562 31.294 31.823 0.056 0.000 0.666 132 V HN 0.445 nan 8.190 nan 0.000 0.456 133 A N 0.065 122.890 122.820 0.009 0.000 1.920 133 A HA 0.243 4.563 4.320 0.000 0.000 0.209 133 A C 2.321 179.900 177.584 -0.008 0.000 1.229 133 A CA 1.094 53.130 52.037 -0.003 0.000 0.671 133 A CB -0.925 18.067 19.000 -0.014 0.000 0.886 133 A HN 0.457 nan 8.150 nan 0.000 0.461 134 G N -0.735 108.057 108.800 -0.013 0.000 2.448 134 G HA2 0.279 4.239 3.960 0.000 0.000 0.218 134 G HA3 0.279 4.239 3.960 0.000 0.000 0.218 134 G C 1.402 176.295 174.900 -0.011 0.000 1.135 134 G CA 0.982 46.073 45.100 -0.016 0.000 0.784 134 G HN 1.347 nan 8.290 nan 0.000 0.543 135 G N 0.591 109.385 108.800 -0.010 0.000 2.702 135 G HA2 -0.424 3.536 3.960 0.000 0.000 0.342 135 G HA3 -0.424 3.536 3.960 0.000 0.000 0.342 135 G C 1.918 176.812 174.900 -0.010 0.000 1.258 135 G CA 2.670 47.770 45.100 -0.000 0.000 0.990 135 G HN 1.434 nan 8.290 nan 0.000 0.548 136 S N 0.299 116.002 115.700 0.004 0.000 2.419 136 S HA 0.102 4.573 4.470 0.000 0.000 0.233 136 S C 2.497 177.090 174.600 -0.011 0.000 1.016 136 S CA 1.747 59.945 58.200 -0.003 0.000 0.974 136 S CB -0.192 63.014 63.200 0.010 0.000 0.786 136 S HN 0.605 nan 8.310 nan 0.000 0.492 137 L N 0.747 121.965 121.223 -0.008 0.000 2.042 137 L HA -0.079 4.261 4.340 0.000 0.000 0.210 137 L C 2.668 179.524 176.870 -0.023 0.000 1.076 137 L CA 1.370 56.203 54.840 -0.012 0.000 0.749 137 L CB -0.495 41.558 42.059 -0.009 0.000 0.893 137 L HN 0.299 nan 8.230 nan 0.000 0.432 138 V N -0.312 119.583 119.914 -0.032 0.000 2.407 138 V HA -0.243 3.877 4.120 0.000 0.000 0.245 138 V C 2.318 178.379 176.094 -0.056 0.000 1.041 138 V CA 1.201 63.474 62.300 -0.046 0.000 1.040 138 V CB -0.186 31.604 31.823 -0.055 0.000 0.671 138 V HN 0.333 nan 8.190 nan 0.000 0.455 139 L N -0.446 120.742 121.223 -0.058 0.000 2.083 139 L HA -0.167 4.173 4.340 0.000 0.000 0.209 139 L C 2.755 179.593 176.870 -0.052 0.000 1.083 139 L CA 1.625 56.424 54.840 -0.069 0.000 0.752 139 L CB -0.538 41.476 42.059 -0.074 0.000 0.899 139 L HN 0.256 nan 8.230 nan 0.000 0.433 140 R N -0.360 120.118 120.500 -0.037 0.000 2.148 140 R HA -0.079 4.261 4.340 0.000 0.000 0.227 140 R C 2.273 178.556 176.300 -0.028 0.000 1.103 140 R CA 1.105 57.188 56.100 -0.028 0.000 0.983 140 R CB -0.232 30.057 30.300 -0.018 0.000 0.874 140 R HN 0.329 nan 8.270 nan 0.000 0.451 141 A N 0.900 123.701 122.820 -0.031 0.000 2.021 141 A HA 0.255 4.575 4.320 0.000 0.000 0.216 141 A C 1.045 178.609 177.584 -0.034 0.000 1.163 141 A CA 0.541 52.561 52.037 -0.029 0.000 0.676 141 A CB 0.111 19.093 19.000 -0.030 0.000 0.818 141 A HN 0.288 nan 8.150 nan 0.000 0.453 142 A N 0.148 122.941 122.820 -0.045 0.000 2.327 142 A HA 0.621 4.941 4.320 0.000 0.000 0.283 142 A C 0.329 177.886 177.584 -0.044 0.000 1.127 142 A CA -0.531 51.476 52.037 -0.051 0.000 0.810 142 A CB 0.289 19.245 19.000 -0.073 0.000 1.066 142 A HN 0.492 nan 8.150 nan 0.000 0.492 143 R N 1.280 121.759 120.500 -0.036 0.000 2.573 143 R HA 0.431 4.771 4.340 0.000 0.000 0.272 143 R C -2.566 173.718 176.300 -0.028 0.000 1.009 143 R CA -1.824 54.261 56.100 -0.026 0.000 1.059 143 R CB 0.518 30.810 30.300 -0.013 0.000 1.112 143 R HN 0.446 nan 8.270 nan 0.000 0.517 144 P HA -0.052 nan 4.420 nan 0.000 0.261 144 P C 0.468 177.768 177.300 0.001 0.000 1.183 144 P CA 1.039 64.131 63.100 -0.013 0.000 0.761 144 P CB 0.405 32.107 31.700 0.003 0.000 0.785 145 G N 2.602 111.395 108.800 -0.012 0.000 2.179 145 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 145 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 145 G C 1.101 175.991 174.900 -0.017 0.000 0.977 145 G CA 0.535 45.641 45.100 0.009 0.000 0.641 145 G HN 0.568 nan 8.290 nan 0.000 0.533 146 Q N -0.302 119.478 119.800 -0.035 0.000 2.119 146 Q HA 0.174 4.514 4.340 0.000 0.000 0.201 146 Q C 1.251 177.208 176.000 -0.073 0.000 0.972 146 Q CA 0.745 56.527 55.803 -0.035 0.000 0.847 146 Q CB -0.023 28.695 28.738 -0.034 0.000 0.903 146 Q HN 0.675 nan 8.270 nan 0.000 0.433 147 I N 1.639 122.137 120.570 -0.122 0.000 2.342 147 I HA 0.147 4.317 4.170 0.000 0.000 0.291 147 I C -0.936 175.038 176.117 -0.238 0.000 1.010 147 I CA -0.628 60.573 61.300 -0.165 0.000 1.308 147 I CB 1.589 39.476 38.000 -0.188 0.000 1.400 147 I HN -0.128 nan 8.210 nan 0.000 0.488 148 V N 8.656 128.429 119.914 -0.236 0.000 2.378 148 V HA 0.334 4.454 4.120 0.000 0.000 0.288 148 V C -2.119 173.830 176.094 -0.242 0.000 1.016 148 V CA -1.749 60.346 62.300 -0.341 0.000 0.840 148 V CB 1.561 33.183 31.823 -0.335 0.000 0.994 148 V HN 0.587 nan 8.190 nan 0.000 0.431 149 P HA 0.197 nan 4.420 nan 0.000 0.275 149 P C 0.461 177.730 177.300 -0.053 0.000 1.227 149 P CA 0.078 63.106 63.100 -0.121 0.000 0.781 149 P CB 2.152 33.809 31.700 -0.071 0.000 0.906 150 V N 1.075 120.977 119.914 -0.020 0.000 3.125 150 V HA -0.007 4.113 4.120 0.000 0.000 0.249 150 V C 1.074 177.166 176.094 -0.004 0.000 1.113 150 V CA 1.006 63.296 62.300 -0.018 0.000 1.106 150 V CB -0.815 30.988 31.823 -0.033 0.000 0.768 150 V HN 0.531 nan 8.190 nan 0.000 0.468 151 D N -0.098 120.321 120.400 0.031 0.000 2.339 151 D HA 0.080 4.720 4.640 0.000 0.000 0.245 151 D C 1.613 177.880 176.300 -0.055 0.000 1.115 151 D CA 0.836 54.826 54.000 -0.017 0.000 0.917 151 D CB 1.565 42.350 40.800 -0.025 0.000 1.192 151 D HN 0.173 nan 8.370 nan 0.000 0.428 152 S N 2.089 117.731 115.700 -0.097 0.000 2.370 152 S HA -0.260 4.210 4.470 0.000 0.000 0.226 152 S C 1.538 176.096 174.600 -0.070 0.000 1.033 152 S CA 1.297 59.419 58.200 -0.131 0.000 1.011 152 S CB -0.374 62.708 63.200 -0.197 0.000 0.852 152 S HN 0.548 nan 8.310 nan 0.000 0.457 153 E N 1.094 121.229 120.200 -0.109 0.000 2.047 153 E HA -0.059 4.291 4.350 0.000 0.000 0.191 153 E C 2.016 178.597 176.600 -0.032 0.000 0.987 153 E CA 1.717 58.059 56.400 -0.097 0.000 0.799 153 E CB -0.484 29.095 29.700 -0.201 0.000 0.752 153 E HN 0.841 nan 8.360 nan 0.000 0.449 154 H N -0.979 118.147 119.070 0.092 0.000 2.389 154 H HA -0.013 4.543 4.556 -0.000 0.000 0.299 154 H C 2.172 177.591 175.328 0.152 0.000 1.081 154 H CA 1.063 57.219 56.048 0.181 0.000 1.345 154 H CB 0.056 29.892 29.762 0.124 0.000 1.393 154 H HN 0.050 nan 8.280 nan 0.000 0.520 155 S N 0.425 116.219 115.700 0.156 0.000 2.368 155 S HA -0.186 4.284 4.470 0.000 0.000 0.225 155 S C 2.420 177.080 174.600 0.100 0.000 1.030 155 S CA 0.884 59.141 58.200 0.096 0.000 0.999 155 S CB -0.380 62.849 63.200 0.048 0.000 0.844 155 S HN 0.497 nan 8.310 nan 0.000 0.459 156 A N 1.711 124.574 122.820 0.073 0.000 1.865 156 A HA -0.041 4.279 4.320 0.000 0.000 0.217 156 A C 2.252 179.853 177.584 0.028 0.000 1.191 156 A CA 1.770 53.850 52.037 0.071 0.000 0.623 156 A CB -1.041 18.013 19.000 0.090 0.000 0.826 156 A HN 0.587 nan 8.150 nan 0.000 0.444 157 L N -0.862 120.345 121.223 -0.027 0.000 2.042 157 L HA -0.227 4.113 4.340 0.000 0.000 0.210 157 L C 3.111 179.794 176.870 -0.312 0.000 1.076 157 L CA 1.136 55.842 54.840 -0.224 0.000 0.749 157 L CB -0.599 41.232 42.059 -0.381 0.000 0.893 157 L HN 0.460 nan 8.230 nan 0.000 0.432 158 A N -0.489 122.235 122.820 -0.161 0.000 1.933 158 A HA -0.255 4.066 4.320 0.000 0.000 0.218 158 A C 2.230 179.939 177.584 0.208 0.000 1.175 158 A CA 1.651 53.689 52.037 0.002 0.000 0.628 158 A CB -0.435 18.577 19.000 0.021 0.000 0.814 158 A HN 0.497 nan 8.150 nan 0.000 0.444 159 Q N -1.177 118.756 119.800 0.222 0.000 2.079 159 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 159 Q C 2.257 178.341 176.000 0.140 0.000 0.974 159 Q CA 1.623 57.562 55.803 0.227 0.000 0.840 159 Q CB -0.372 28.478 28.738 0.188 0.000 0.898 159 Q HN 0.742 nan 8.270 nan 0.000 0.430 160 C N 0.504 119.855 119.300 0.085 0.000 2.432 160 C HA -0.036 4.424 4.460 0.000 0.000 0.280 160 C C 2.383 177.471 174.990 0.163 0.000 1.353 160 C CA 0.321 59.398 59.018 0.099 0.000 1.766 160 C CB -0.843 26.922 27.740 0.041 0.000 1.924 160 C HN 0.466 nan 8.230 nan 0.000 0.509 161 L N 0.404 121.674 121.223 0.077 0.000 2.362 161 L HA -0.098 4.242 4.340 0.000 0.000 0.219 161 L C 2.606 179.601 176.870 0.207 0.000 1.134 161 L CA 1.049 55.963 54.840 0.123 0.000 0.807 161 L CB -0.503 41.533 42.059 -0.038 0.000 0.927 161 L HN 0.356 nan 8.230 nan 0.000 0.447 162 R N -0.144 120.454 120.500 0.163 0.000 2.241 162 R HA -0.084 4.256 4.340 0.000 0.000 0.224 162 R C 2.203 178.531 176.300 0.047 0.000 1.101 162 R CA 0.865 57.030 56.100 0.107 0.000 0.995 162 R CB -0.478 29.872 30.300 0.083 0.000 0.870 162 R HN 0.386 nan 8.270 nan 0.000 0.463 163 G N 0.104 108.948 108.800 0.073 0.000 2.625 163 G HA2 0.055 4.015 3.960 0.000 0.000 0.214 163 G HA3 0.055 4.015 3.960 0.000 0.000 0.214 163 G C 0.440 174.979 174.900 -0.600 0.000 1.132 163 G CA 0.714 45.691 45.100 -0.206 0.000 0.782 163 G HN 0.468 nan 8.290 nan 0.000 0.538 164 G N -1.484 107.136 108.800 -0.300 0.000 2.488 164 G HA2 0.493 4.453 3.960 0.000 0.000 0.301 164 G HA3 0.493 4.453 3.960 0.000 0.000 0.301 164 G C -0.374 174.559 174.900 0.054 0.000 1.339 164 G CA 0.120 45.076 45.100 -0.240 0.000 0.803 164 G HN 0.553 nan 8.290 nan 0.000 0.482 165 T N -1.203 113.388 114.554 0.062 0.000 2.828 165 T HA 0.464 4.814 4.350 0.000 0.000 0.290 165 T C -1.351 173.432 174.700 0.139 0.000 1.019 165 T CA -0.755 61.397 62.100 0.086 0.000 1.031 165 T CB 1.633 70.532 68.868 0.052 0.000 1.001 165 T HN 0.123 nan 8.240 nan 0.000 0.531 166 P HA -0.065 nan 4.420 nan 0.000 0.216 166 P C 0.922 178.264 177.300 0.070 0.000 1.150 166 P CA 1.005 64.153 63.100 0.080 0.000 0.843 166 P CB -0.062 31.673 31.700 0.058 0.000 0.787 167 D N -0.763 119.676 120.400 0.066 0.000 2.309 167 D HA -0.121 4.519 4.640 0.000 0.000 0.212 167 D C 1.460 177.807 176.300 0.078 0.000 0.968 167 D CA 0.913 54.946 54.000 0.055 0.000 0.882 167 D CB -0.414 40.412 40.800 0.043 0.000 0.918 167 D HN 0.374 nan 8.370 nan 0.000 0.503 168 E N -0.199 120.083 120.200 0.136 0.000 2.479 168 E HA 0.059 4.409 4.350 0.000 0.000 0.193 168 E C -0.017 176.745 176.600 0.270 0.000 1.049 168 E CA -0.109 56.422 56.400 0.219 0.000 0.870 168 E CB 0.874 30.722 29.700 0.246 0.000 0.944 168 E HN 0.002 nan 8.360 nan 0.000 0.492 169 V N 1.470 121.440 119.914 0.094 0.000 2.508 169 V HA 0.077 4.197 4.120 0.000 0.000 0.281 169 V C 0.904 176.929 176.094 -0.115 0.000 1.041 169 V CA 0.330 62.534 62.300 -0.161 0.000 1.016 169 V CB 1.096 32.807 31.823 -0.186 0.000 0.984 169 V HN 0.204 nan 8.190 nan 0.000 0.478 170 A N 5.533 128.253 122.820 -0.166 0.000 1.909 170 A HA 0.300 4.620 4.320 0.000 0.000 0.209 170 A C 0.857 178.373 177.584 -0.114 0.000 1.247 170 A CA 0.589 52.568 52.037 -0.097 0.000 0.660 170 A CB 0.269 19.232 19.000 -0.063 0.000 0.910 170 A HN 0.690 nan 8.150 nan 0.000 0.465 171 K N -0.286 120.013 120.400 -0.168 0.000 2.469 171 K HA 0.629 4.949 4.320 0.000 0.000 0.254 171 K C -1.697 174.794 176.600 -0.182 0.000 0.939 171 K CA -0.431 55.775 56.287 -0.136 0.000 0.812 171 K CB 2.213 34.654 32.500 -0.100 0.000 1.301 171 K HN 0.195 nan 8.250 nan 0.000 0.433 172 L N 2.422 123.567 121.223 -0.130 0.000 2.282 172 L HA 0.493 4.833 4.340 0.000 0.000 0.288 172 L C -0.575 176.250 176.870 -0.075 0.000 1.033 172 L CA -1.187 53.578 54.840 -0.126 0.000 0.807 172 L CB 1.464 43.465 42.059 -0.097 0.000 1.209 172 L HN 0.253 nan 8.230 nan 0.000 0.423 173 V N 4.848 124.714 119.914 -0.081 0.000 2.349 173 V HA 0.307 4.427 4.120 0.000 0.000 0.284 173 V C -0.003 176.075 176.094 -0.028 0.000 1.014 173 V CA -0.503 61.765 62.300 -0.053 0.000 0.826 173 V CB 1.536 33.309 31.823 -0.083 0.000 1.009 173 V HN 0.457 nan 8.190 nan 0.000 0.431 174 L N 4.884 126.111 121.223 0.006 0.000 2.349 174 L HA 0.486 4.826 4.340 0.000 0.000 0.275 174 L C 1.049 177.938 176.870 0.032 0.000 1.115 174 L CA 0.512 55.364 54.840 0.020 0.000 0.820 174 L CB 1.406 43.486 42.059 0.035 0.000 1.135 174 L HN 0.818 nan 8.230 nan 0.000 0.445 175 T N 0.280 114.860 114.554 0.043 0.000 2.913 175 T HA 0.811 5.161 4.350 0.000 0.000 0.287 175 T C -0.173 174.558 174.700 0.052 0.000 1.008 175 T CA -0.697 61.454 62.100 0.084 0.000 1.067 175 T CB 1.548 70.489 68.868 0.122 0.000 0.996 175 T HN 0.744 nan 8.240 nan 0.000 0.513 176 A N 1.403 124.253 122.820 0.050 0.000 2.393 176 A HA 0.634 4.954 4.320 0.000 0.000 0.306 176 A C 1.137 178.698 177.584 -0.037 0.000 1.050 176 A CA -0.341 51.692 52.037 -0.006 0.000 0.724 176 A CB 1.432 20.419 19.000 -0.022 0.000 1.248 176 A HN 1.175 nan 8.150 nan 0.000 0.424 177 S N 1.613 117.264 115.700 -0.080 0.000 2.419 177 S HA 0.187 4.657 4.470 0.000 0.000 0.233 177 S C 1.607 176.120 174.600 -0.146 0.000 1.016 177 S CA 1.731 59.855 58.200 -0.127 0.000 0.974 177 S CB -0.309 62.812 63.200 -0.133 0.000 0.786 177 S HN 2.751 nan 8.310 nan 0.000 0.492 178 G N 0.645 109.347 108.800 -0.163 0.000 2.225 178 G HA2 0.123 4.083 3.960 0.000 0.000 0.254 178 G HA3 0.123 4.083 3.960 0.000 0.000 0.254 178 G C 1.298 176.018 174.900 -0.301 0.000 0.988 178 G CA 0.416 45.374 45.100 -0.237 0.000 0.625 178 G HN 1.902 nan 8.290 nan 0.000 0.527 179 G N 0.132 108.778 108.800 -0.257 0.000 2.749 179 G HA2 0.071 4.031 3.960 0.000 0.000 0.242 179 G HA3 0.071 4.031 3.960 0.000 0.000 0.242 179 G C -0.555 174.089 174.900 -0.428 0.000 1.364 179 G CA 0.531 45.438 45.100 -0.321 0.000 0.888 179 G HN 0.939 nan 8.290 nan 0.000 0.566 180 P HA 0.029 nan 4.420 nan 0.000 0.222 180 P C 1.070 177.805 177.300 -0.942 0.000 1.147 180 P CA 1.479 64.099 63.100 -0.800 0.000 0.790 180 P CB -0.087 30.968 31.700 -1.075 0.000 0.780 181 F N -0.649 118.914 119.950 -0.645 0.000 2.684 181 F HA 0.291 4.818 4.527 -0.000 0.000 0.298 181 F C 1.300 176.896 175.800 -0.340 0.000 1.120 181 F CA -1.100 56.234 58.000 -1.110 0.000 1.332 181 F CB -0.094 38.328 39.000 -0.962 0.000 0.986 181 F HN -0.282 nan 8.300 nan 0.000 0.524 182 R N 1.387 121.818 120.500 -0.116 0.000 2.504 182 R HA 0.166 4.506 4.340 0.000 0.000 0.291 182 R C 1.308 177.781 176.300 0.287 0.000 0.974 182 R CA 1.309 57.421 56.100 0.020 0.000 1.077 182 R CB 0.018 30.290 30.300 -0.048 0.000 0.926 182 R HN 0.589 nan 8.270 nan 0.000 0.407 183 G N 3.488 112.493 108.800 0.342 0.000 2.179 183 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 183 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 183 G C -0.529 174.663 174.900 0.488 0.000 0.977 183 G CA 0.166 45.486 45.100 0.368 0.000 0.641 183 G HN 0.605 nan 8.290 nan 0.000 0.533 184 W N 2.444 123.906 121.300 0.270 0.000 2.190 184 W HA 0.588 5.248 4.660 -0.001 0.000 0.330 184 W C 1.292 177.880 176.519 0.116 0.000 1.299 184 W CA -0.311 57.149 57.345 0.192 0.000 1.215 184 W CB 0.617 30.207 29.460 0.218 0.000 1.147 184 W HN 0.525 nan 8.180 nan 0.000 0.563 185 S N 1.388 117.206 115.700 0.195 0.000 2.608 185 S HA 0.464 4.934 4.470 0.000 0.000 0.261 185 S C 1.165 175.790 174.600 0.042 0.000 1.314 185 S CA -0.180 58.070 58.200 0.084 0.000 0.992 185 S CB 1.188 64.402 63.200 0.023 0.000 0.935 185 S HN 0.639 nan 8.310 nan 0.000 0.564 186 A N 1.562 124.368 122.820 -0.023 0.000 1.940 186 A HA 0.082 4.402 4.320 0.000 0.000 0.219 186 A C 2.408 179.953 177.584 -0.065 0.000 1.176 186 A CA 1.946 53.943 52.037 -0.067 0.000 0.631 186 A CB -1.732 17.225 19.000 -0.073 0.000 0.814 186 A HN 1.359 nan 8.150 nan 0.000 0.446 187 A N 0.074 122.863 122.820 -0.053 0.000 1.902 187 A HA -0.208 4.112 4.320 0.000 0.000 0.217 187 A C 1.781 179.302 177.584 -0.105 0.000 1.181 187 A CA 1.887 53.877 52.037 -0.078 0.000 0.623 187 A CB -0.620 18.361 19.000 -0.031 0.000 0.818 187 A HN 0.481 nan 8.150 nan 0.000 0.443 188 D N 0.190 120.571 120.400 -0.032 0.000 2.123 188 D HA -0.144 4.496 4.640 0.000 0.000 0.196 188 D C 1.884 178.242 176.300 0.096 0.000 0.992 188 D CA 1.134 55.130 54.000 -0.007 0.000 0.833 188 D CB -0.382 40.336 40.800 -0.136 0.000 0.954 188 D HN 0.462 nan 8.370 nan 0.000 0.455 189 L N 1.012 122.278 121.223 0.072 0.000 2.201 189 L HA -0.116 4.224 4.340 0.000 0.000 0.212 189 L C 2.248 179.064 176.870 -0.090 0.000 1.105 189 L CA 0.741 55.572 54.840 -0.016 0.000 0.775 189 L CB -0.285 41.776 42.059 0.004 0.000 0.913 189 L HN -0.038 nan 8.230 nan 0.000 0.440 190 E N -0.339 119.740 120.200 -0.201 0.000 2.209 190 E HA -0.198 4.152 4.350 0.000 0.000 0.196 190 E C 1.786 178.242 176.600 -0.240 0.000 0.993 190 E CA 1.098 57.338 56.400 -0.267 0.000 0.819 190 E CB -0.196 29.257 29.700 -0.411 0.000 0.745 190 E HN 0.633 nan 8.360 nan 0.000 0.477 191 H N -0.410 118.673 119.070 0.021 0.000 2.548 191 H HA 0.126 4.682 4.556 -0.000 0.000 0.265 191 H C 0.486 175.839 175.328 0.040 0.000 0.969 191 H CA -0.087 55.980 56.048 0.031 0.000 1.155 191 H CB 0.107 29.877 29.762 0.014 0.000 1.394 191 H HN -0.113 nan 8.280 nan 0.000 0.570 192 V N 3.635 123.569 119.914 0.033 0.000 2.540 192 V HA -0.036 4.084 4.120 0.000 0.000 0.297 192 V C 1.076 177.276 176.094 0.177 0.000 1.024 192 V CA 0.432 62.661 62.300 -0.118 0.000 1.105 192 V CB 0.713 32.039 31.823 -0.827 0.000 0.938 192 V HN 0.449 nan 8.190 nan 0.000 0.482 193 T N 3.445 118.111 114.554 0.187 0.000 2.943 193 T HA 0.429 4.779 4.350 0.000 0.000 0.284 193 T C -1.795 173.030 174.700 0.208 0.000 1.015 193 T CA -2.119 60.089 62.100 0.179 0.000 1.042 193 T CB 1.868 70.787 68.868 0.085 0.000 1.055 193 T HN 0.365 nan 8.240 nan 0.000 0.500 194 P HA -0.163 nan 4.420 nan 0.000 0.216 194 P C 1.494 178.775 177.300 -0.033 0.000 1.157 194 P CA 1.139 64.144 63.100 -0.159 0.000 0.880 194 P CB 0.116 31.605 31.700 -0.353 0.000 0.791 195 E N -0.203 119.954 120.200 -0.071 0.000 2.038 195 E HA -0.267 4.083 4.350 0.000 0.000 0.195 195 E C 2.074 178.633 176.600 -0.068 0.000 1.000 195 E CA 1.374 57.690 56.400 -0.140 0.000 0.803 195 E CB -0.310 29.352 29.700 -0.063 0.000 0.750 195 E HN 0.307 nan 8.360 nan 0.000 0.448 196 Q N -0.554 119.297 119.800 0.084 0.000 2.181 196 Q HA -0.136 4.204 4.340 0.000 0.000 0.205 196 Q C 1.862 177.968 176.000 0.176 0.000 0.980 196 Q CA 1.280 57.191 55.803 0.180 0.000 0.862 196 Q CB -0.087 28.823 28.738 0.287 0.000 0.905 196 Q HN 0.260 nan 8.270 nan 0.000 0.429 197 A N -0.291 122.672 122.820 0.238 0.000 2.238 197 A HA 0.300 4.620 4.320 0.000 0.000 0.208 197 A C 1.306 178.928 177.584 0.064 0.000 1.177 197 A CA 0.784 52.945 52.037 0.206 0.000 0.804 197 A CB -0.075 19.207 19.000 0.471 0.000 0.823 197 A HN 0.451 nan 8.150 nan 0.000 0.482 198 G N -2.150 106.642 108.800 -0.012 0.000 2.138 198 G HA2 0.138 4.098 3.960 0.000 0.000 0.193 198 G HA3 0.138 4.098 3.960 0.000 0.000 0.193 198 G C 0.300 175.134 174.900 -0.110 0.000 0.998 198 G CA -0.009 45.074 45.100 -0.028 0.000 0.668 198 G HN 1.508 nan 8.290 nan 0.000 0.516 199 A N 0.954 123.649 122.820 -0.209 0.000 2.797 199 A HA 0.628 4.948 4.320 0.000 0.000 0.296 199 A C 0.269 177.627 177.584 -0.375 0.000 1.580 199 A CA 0.252 52.174 52.037 -0.193 0.000 1.277 199 A CB -0.390 18.532 19.000 -0.129 0.000 1.101 199 A HN 0.667 nan 8.150 nan 0.000 0.562 200 H N 1.438 120.525 119.070 0.028 0.000 2.622 200 H HA 0.445 5.001 4.556 -0.000 0.000 0.363 200 H C -2.298 173.051 175.328 0.035 0.000 1.151 200 H CA -2.049 54.018 56.048 0.031 0.000 1.184 200 H CB 1.207 30.990 29.762 0.034 0.000 1.643 200 H HN 0.286 nan 8.280 nan 0.000 0.531 201 P HA 0.028 nan 4.420 nan 0.000 0.238 201 P C -0.590 176.796 177.300 0.144 0.000 1.714 201 P CA -0.212 62.960 63.100 0.119 0.000 0.908 201 P CB -0.714 31.046 31.700 0.099 0.000 1.893 202 T N 0.956 115.597 114.554 0.145 0.000 2.940 202 T HA -0.043 4.307 4.350 0.000 0.000 0.309 202 T C 1.204 175.979 174.700 0.124 0.000 1.056 202 T CA -0.399 61.790 62.100 0.148 0.000 1.137 202 T CB 0.585 69.508 68.868 0.092 0.000 0.976 202 T HN 0.440 nan 8.240 nan 0.000 0.547 203 W N 1.998 123.311 121.300 0.022 0.000 2.467 203 W HA 0.031 4.691 4.660 -0.000 0.000 0.275 203 W C 1.535 178.060 176.519 0.010 0.000 1.239 203 W CA 0.798 58.156 57.345 0.022 0.000 1.266 203 W CB -0.875 28.592 29.460 0.012 0.000 1.112 203 W HN 0.618 nan 8.180 nan 0.000 0.576 204 S N 0.610 115.691 115.700 -1.032 0.000 2.497 204 S HA 0.215 4.685 4.470 0.000 0.000 0.218 204 S C 0.608 174.902 174.600 -0.510 0.000 1.023 204 S CA 0.039 57.567 58.200 -1.120 0.000 0.913 204 S CB -0.199 62.048 63.200 -1.589 0.000 0.800 204 S HN 0.262 nan 8.310 nan 0.000 0.505 205 M N 0.008 119.410 119.600 -0.329 0.000 2.446 205 M HA 0.753 5.233 4.480 0.000 0.000 0.294 205 M C 0.098 176.347 176.300 -0.086 0.000 1.158 205 M CA -0.932 54.260 55.300 -0.180 0.000 0.899 205 M CB 1.371 33.875 32.600 -0.161 0.000 1.687 205 M HN -0.067 nan 8.290 nan 0.000 0.455 206 G N 1.469 110.238 108.800 -0.051 0.000 2.636 206 G HA2 0.441 4.401 3.960 0.000 0.000 0.246 206 G HA3 0.441 4.401 3.960 0.000 0.000 0.246 206 G C -1.709 173.188 174.900 -0.004 0.000 1.216 206 G CA -1.261 43.830 45.100 -0.016 0.000 0.854 206 G HN 0.692 nan 8.290 nan 0.000 0.572 207 P HA -0.100 nan 4.420 nan 0.000 0.225 207 P C 1.856 179.176 177.300 0.035 0.000 1.148 207 P CA 0.773 63.888 63.100 0.024 0.000 0.779 207 P CB 0.150 31.863 31.700 0.021 0.000 0.780 208 M N -0.118 119.497 119.600 0.025 0.000 2.175 208 M HA -0.094 4.386 4.480 0.000 0.000 0.264 208 M C 1.746 178.062 176.300 0.026 0.000 1.063 208 M CA 1.279 56.597 55.300 0.030 0.000 1.119 208 M CB -1.576 31.033 32.600 0.014 0.000 1.377 208 M HN 0.016 nan 8.290 nan 0.000 0.415 209 N N 0.153 118.857 118.700 0.008 0.000 2.069 209 N HA -0.123 4.617 4.740 0.000 0.000 0.191 209 N C 1.676 177.188 175.510 0.003 0.000 1.031 209 N CA 2.022 55.070 53.050 -0.002 0.000 0.852 209 N CB -0.746 37.728 38.487 -0.022 0.000 1.018 209 N HN 0.364 nan 8.380 nan 0.000 0.423 210 T N 2.032 116.592 114.554 0.010 0.000 2.777 210 T HA -0.077 4.273 4.350 0.000 0.000 0.266 210 T C 2.004 176.722 174.700 0.030 0.000 1.040 210 T CA 0.474 62.578 62.100 0.007 0.000 1.141 210 T CB -0.332 68.549 68.868 0.022 0.000 0.868 210 T HN 0.062 nan 8.240 nan 0.000 0.444 211 L N 2.093 123.365 121.223 0.081 0.000 2.017 211 L HA -0.017 4.323 4.340 0.000 0.000 0.208 211 L C 1.856 178.799 176.870 0.121 0.000 1.073 211 L CA 1.731 56.667 54.840 0.159 0.000 0.745 211 L CB -1.003 41.178 42.059 0.203 0.000 0.894 211 L HN 0.067 nan 8.230 nan 0.000 0.432 212 N N -0.810 117.927 118.700 0.062 0.000 2.166 212 N HA -0.174 4.566 4.740 0.000 0.000 0.186 212 N C 2.097 177.627 175.510 0.034 0.000 1.019 212 N CA 1.330 54.403 53.050 0.037 0.000 0.856 212 N CB -0.470 38.031 38.487 0.023 0.000 0.993 212 N HN 0.496 nan 8.380 nan 0.000 0.426 213 S N 0.260 115.968 115.700 0.013 0.000 2.356 213 S HA -0.058 4.412 4.470 0.000 0.000 0.223 213 S C 1.964 176.547 174.600 -0.029 0.000 1.032 213 S CA 1.387 59.573 58.200 -0.024 0.000 1.005 213 S CB -0.319 62.847 63.200 -0.055 0.000 0.867 213 S HN 0.371 nan 8.310 nan 0.000 0.449 214 A N 1.080 123.903 122.820 0.004 0.000 1.930 214 A HA -0.023 4.297 4.320 0.000 0.000 0.217 214 A C 2.401 180.206 177.584 0.368 0.000 1.175 214 A CA 2.061 54.121 52.037 0.038 0.000 0.627 214 A CB -1.029 17.970 19.000 -0.003 0.000 0.815 214 A HN 0.845 nan 8.150 nan 0.000 0.443 215 S N -1.438 114.461 115.700 0.331 0.000 2.522 215 S HA 0.150 4.620 4.470 0.000 0.000 0.227 215 S C 0.974 175.686 174.600 0.187 0.000 0.986 215 S CA 0.666 58.995 58.200 0.214 0.000 0.929 215 S CB -0.093 63.045 63.200 -0.103 0.000 0.769 215 S HN 0.626 nan 8.310 nan 0.000 0.529 216 L N -0.516 120.774 121.223 0.111 0.000 5.051 216 L HA -0.201 4.139 4.340 0.000 0.000 0.432 216 L C 1.499 178.424 176.870 0.092 0.000 1.055 216 L CA 0.805 55.684 54.840 0.064 0.000 1.095 216 L CB -2.449 39.652 42.059 0.070 0.000 1.957 216 L HN 0.386 nan 8.230 nan 0.000 0.727 217 V N -0.232 119.730 119.914 0.080 0.000 2.407 217 V HA -0.263 3.857 4.120 0.000 0.000 0.248 217 V C 2.217 178.387 176.094 0.128 0.000 1.055 217 V CA 2.496 64.860 62.300 0.107 0.000 1.049 217 V CB -0.511 31.305 31.823 -0.010 0.000 0.662 217 V HN 0.603 nan 8.190 nan 0.000 0.455 218 N N 0.591 119.335 118.700 0.073 0.000 2.069 218 N HA -0.245 4.495 4.740 0.000 0.000 0.191 218 N C 1.746 177.299 175.510 0.071 0.000 1.031 218 N CA 1.715 54.803 53.050 0.063 0.000 0.852 218 N CB -0.206 38.297 38.487 0.026 0.000 1.018 218 N HN 0.241 nan 8.380 nan 0.000 0.423 219 K N -0.015 120.419 120.400 0.057 0.000 2.057 219 K HA 0.047 4.367 4.320 0.000 0.000 0.207 219 K C 1.923 178.575 176.600 0.087 0.000 1.049 219 K CA 1.537 57.856 56.287 0.054 0.000 0.931 219 K CB -1.121 31.399 32.500 0.032 0.000 0.714 219 K HN 0.312 nan 8.250 nan 0.000 0.440 220 G N 0.854 109.723 108.800 0.116 0.000 2.476 220 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 220 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 220 G C 1.528 176.475 174.900 0.079 0.000 1.164 220 G CA 1.203 46.364 45.100 0.102 0.000 0.768 220 G HN 0.309 nan 8.290 nan 0.000 0.560 221 L N 0.078 121.400 121.223 0.165 0.000 2.042 221 L HA -0.103 4.237 4.340 0.000 0.000 0.210 221 L C 2.894 179.853 176.870 0.149 0.000 1.076 221 L CA 1.482 56.413 54.840 0.152 0.000 0.749 221 L CB -0.499 41.659 42.059 0.165 0.000 0.893 221 L HN 0.309 nan 8.230 nan 0.000 0.432 222 E N -0.415 119.879 120.200 0.158 0.000 2.153 222 E HA -0.173 4.177 4.350 0.000 0.000 0.194 222 E C 2.298 179.079 176.600 0.303 0.000 0.988 222 E CA 1.062 57.608 56.400 0.243 0.000 0.811 222 E CB -0.026 29.712 29.700 0.063 0.000 0.746 222 E HN 0.274 nan 8.360 nan 0.000 0.466 223 V N 1.308 121.337 119.914 0.191 0.000 2.307 223 V HA -0.253 3.867 4.120 0.000 0.000 0.245 223 V C 2.194 178.436 176.094 0.246 0.000 1.045 223 V CA 1.476 63.896 62.300 0.199 0.000 1.024 223 V CB -0.329 31.593 31.823 0.166 0.000 0.651 223 V HN 0.246 nan 8.190 nan 0.000 0.449 224 I N -0.011 120.695 120.570 0.227 0.000 2.163 224 I HA -0.293 3.877 4.170 0.000 0.000 0.243 224 I C 2.530 178.731 176.117 0.140 0.000 1.085 224 I CA 1.898 63.352 61.300 0.257 0.000 1.347 224 I CB -0.456 37.602 38.000 0.096 0.000 1.044 224 I HN 0.378 nan 8.210 nan 0.000 0.408 225 E N 0.103 120.338 120.200 0.059 0.000 2.110 225 E HA -0.186 4.164 4.350 0.000 0.000 0.193 225 E C 2.144 178.574 176.600 -0.283 0.000 0.988 225 E CA 1.800 58.117 56.400 -0.137 0.000 0.804 225 E CB -0.223 29.354 29.700 -0.205 0.000 0.745 225 E HN 0.474 nan 8.360 nan 0.000 0.458 226 T N 0.082 114.588 114.554 -0.080 0.000 2.684 226 T HA -0.243 4.107 4.350 0.000 0.000 0.267 226 T C 1.732 176.422 174.700 -0.016 0.000 1.036 226 T CA 1.895 64.030 62.100 0.058 0.000 1.148 226 T CB -0.450 68.578 68.868 0.268 0.000 0.863 226 T HN 0.347 nan 8.240 nan 0.000 0.436 227 H N 1.068 120.030 119.070 -0.181 0.000 2.319 227 H HA 0.001 4.556 4.556 -0.000 0.000 0.299 227 H C 2.019 177.199 175.328 -0.246 0.000 1.092 227 H CA 1.549 57.391 56.048 -0.344 0.000 1.302 227 H CB -0.561 28.705 29.762 -0.827 0.000 1.373 227 H HN 0.274 nan 8.280 nan 0.000 0.497 228 L N -0.459 120.590 121.223 -0.289 0.000 2.056 228 L HA -0.126 4.214 4.340 0.000 0.000 0.207 228 L C 2.614 179.246 176.870 -0.396 0.000 1.078 228 L CA 0.934 55.584 54.840 -0.317 0.000 0.749 228 L CB -0.370 41.595 42.059 -0.156 0.000 0.901 228 L HN 0.294 nan 8.230 nan 0.000 0.433 229 L N -1.353 119.551 121.223 -0.532 0.000 2.056 229 L HA -0.160 4.180 4.340 0.000 0.000 0.207 229 L C 1.787 178.175 176.870 -0.803 0.000 1.078 229 L CA 1.556 55.895 54.840 -0.834 0.000 0.749 229 L CB -0.197 41.011 42.059 -1.418 0.000 0.901 229 L HN 0.179 nan 8.230 nan 0.000 0.433 230 F N -1.548 118.276 119.950 -0.210 0.000 2.706 230 F HA 0.347 4.875 4.527 0.001 0.000 0.313 230 F C 1.517 177.208 175.800 -0.183 0.000 1.096 230 F CA 0.181 58.083 58.000 -0.165 0.000 1.219 230 F CB 0.399 39.325 39.000 -0.124 0.000 1.051 230 F HN 0.042 nan 8.300 nan 0.000 0.568 231 G N 1.989 110.686 108.800 -0.171 0.000 2.246 231 G HA2 -0.257 3.703 3.960 0.000 0.000 0.273 231 G HA3 -0.257 3.703 3.960 0.000 0.000 0.273 231 G C -0.149 174.665 174.900 -0.143 0.000 1.055 231 G CA -0.200 44.758 45.100 -0.235 0.000 0.851 231 G HN 0.180 nan 8.290 nan 0.000 0.500 232 I N 0.535 121.039 120.570 -0.111 0.000 2.377 232 I HA 0.348 4.518 4.170 0.000 0.000 0.293 232 I C -1.903 174.237 176.117 0.039 0.000 0.987 232 I CA -2.992 58.291 61.300 -0.028 0.000 1.185 232 I CB 1.383 39.371 38.000 -0.019 0.000 1.341 232 I HN -0.150 nan 8.210 nan 0.000 0.455 233 P HA 0.072 nan 4.420 nan 0.000 0.269 233 P C 0.457 177.735 177.300 -0.038 0.000 1.209 233 P CA 0.126 63.253 63.100 0.045 0.000 0.776 233 P CB 0.393 32.123 31.700 0.050 0.000 0.876 234 Y N 1.248 121.531 120.300 -0.029 0.000 2.241 234 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 234 Y C 2.109 177.995 175.900 -0.024 0.000 1.166 234 Y CA 1.884 59.948 58.100 -0.062 0.000 1.203 234 Y CB -0.691 37.679 38.460 -0.151 0.000 0.977 234 Y HN 0.429 nan 8.280 nan 0.000 0.529 235 D N -0.187 120.283 120.400 0.117 0.000 2.378 235 D HA -0.106 4.534 4.640 0.000 0.000 0.227 235 D C 1.059 177.382 176.300 0.038 0.000 1.012 235 D CA 0.694 54.734 54.000 0.068 0.000 0.905 235 D CB -0.313 40.516 40.800 0.049 0.000 0.895 235 D HN 0.311 nan 8.370 nan 0.000 0.532 236 R N -0.138 120.378 120.500 0.027 0.000 2.543 236 R HA 0.364 4.704 4.340 0.000 0.000 0.323 236 R C -0.053 176.243 176.300 -0.008 0.000 1.002 236 R CA -0.270 55.830 56.100 -0.001 0.000 1.106 236 R CB 0.936 31.227 30.300 -0.015 0.000 1.280 236 R HN 0.189 nan 8.270 nan 0.000 0.549 237 I N 1.717 122.299 120.570 0.020 0.000 2.359 237 I HA 0.225 4.395 4.170 0.000 0.000 0.284 237 I C -0.634 175.509 176.117 0.043 0.000 1.018 237 I CA -0.597 60.719 61.300 0.028 0.000 1.173 237 I CB 1.357 39.387 38.000 0.049 0.000 1.326 237 I HN -0.184 nan 8.210 nan 0.000 0.462 238 D N 5.292 125.703 120.400 0.020 0.000 2.326 238 D HA 0.587 5.227 4.640 0.000 0.000 0.248 238 D C -0.498 175.819 176.300 0.028 0.000 1.001 238 D CA -0.336 53.677 54.000 0.022 0.000 0.961 238 D CB 2.816 43.617 40.800 0.001 0.000 1.183 238 D HN 0.034 nan 8.370 nan 0.000 0.502 239 V N 0.928 120.864 119.914 0.036 0.000 2.604 239 V HA 0.478 4.598 4.120 0.000 0.000 0.305 239 V C -0.424 175.699 176.094 0.047 0.000 1.043 239 V CA -0.825 61.500 62.300 0.042 0.000 0.888 239 V CB 2.230 34.081 31.823 0.047 0.000 0.995 239 V HN 0.289 nan 8.190 nan 0.000 0.429 240 V N 5.544 125.497 119.914 0.064 0.000 2.656 240 V HA 0.604 4.724 4.120 0.000 0.000 0.307 240 V C -0.499 175.682 176.094 0.144 0.000 1.051 240 V CA -0.423 61.942 62.300 0.109 0.000 0.893 240 V CB 2.446 34.340 31.823 0.118 0.000 0.999 240 V HN 0.639 nan 8.190 nan 0.000 0.426 241 V N 6.170 126.164 119.914 0.135 0.000 2.488 241 V HA 0.358 4.478 4.120 0.000 0.000 0.277 241 V C -0.359 175.834 176.094 0.164 0.000 1.046 241 V CA -0.136 62.221 62.300 0.096 0.000 0.986 241 V CB 0.940 32.779 31.823 0.027 0.000 0.989 241 V HN 1.003 nan 8.190 nan 0.000 0.475 242 H N 6.968 126.016 119.070 -0.035 0.000 2.974 242 H HA 0.416 4.972 4.556 0.001 0.000 0.285 242 H C -2.489 172.733 175.328 -0.176 0.000 1.227 242 H CA -1.748 54.202 56.048 -0.163 0.000 1.569 242 H CB 2.132 31.802 29.762 -0.155 0.000 1.648 242 H HN 0.313 nan 8.280 nan 0.000 0.521 243 P HA -0.120 nan 4.420 nan 0.000 0.220 243 P C 0.993 178.041 177.300 -0.420 0.000 1.148 243 P CA 0.996 63.908 63.100 -0.314 0.000 0.803 243 P CB 0.493 32.078 31.700 -0.191 0.000 0.782 244 Q N -1.096 118.284 119.800 -0.699 0.000 2.311 244 Q HA 0.066 4.406 4.340 0.000 0.000 0.203 244 Q C 0.869 176.559 176.000 -0.516 0.000 0.954 244 Q CA 0.633 56.112 55.803 -0.540 0.000 0.885 244 Q CB -0.745 27.736 28.738 -0.428 0.000 0.963 244 Q HN -0.013 nan 8.270 nan 0.000 0.471 245 S N -0.734 114.545 115.700 -0.702 0.000 3.581 245 S HA -0.203 4.267 4.470 0.000 0.000 0.354 245 S C 0.681 175.015 174.600 -0.444 0.000 1.059 245 S CA 0.599 58.576 58.200 -0.372 0.000 1.060 245 S CB -1.711 61.375 63.200 -0.191 0.000 0.908 245 S HN 0.405 nan 8.310 nan 0.000 0.475 246 I N -0.247 120.093 120.570 -0.383 0.000 2.729 246 I HA 0.176 4.346 4.170 0.000 0.000 0.256 246 I C 1.052 176.717 176.117 -0.753 0.000 1.115 246 I CA 0.608 61.586 61.300 -0.537 0.000 1.446 246 I CB 0.111 37.737 38.000 -0.624 0.000 1.176 246 I HN 0.327 nan 8.210 nan 0.000 0.446 247 I N 2.002 122.198 120.570 -0.623 0.000 2.436 247 I HA -0.030 4.140 4.170 0.000 0.000 0.289 247 I C 1.110 176.998 176.117 -0.383 0.000 1.083 247 I CA 0.167 61.152 61.300 -0.525 0.000 1.372 247 I CB 0.573 38.299 38.000 -0.458 0.000 1.408 247 I HN 0.272 nan 8.210 nan 0.000 0.516 248 H N 3.854 122.884 119.070 -0.066 0.000 2.563 248 H HA 0.318 4.874 4.556 0.001 0.000 0.264 248 H C 0.224 175.536 175.328 -0.026 0.000 0.957 248 H CA 0.124 56.154 56.048 -0.031 0.000 1.173 248 H CB 0.841 30.581 29.762 -0.037 0.000 1.420 248 H HN 0.597 nan 8.280 nan 0.000 0.551 249 S N -0.663 115.063 115.700 0.043 0.000 2.703 249 S HA 0.311 4.781 4.470 0.000 0.000 0.270 249 S C -1.341 173.247 174.600 -0.020 0.000 0.972 249 S CA -0.799 57.404 58.200 0.006 0.000 0.949 249 S CB 1.244 64.450 63.200 0.009 0.000 1.209 249 S HN 0.111 nan 8.310 nan 0.000 0.464 250 M N 1.222 120.791 119.600 -0.052 0.000 2.569 250 M HA 0.628 5.108 4.480 0.000 0.000 0.279 250 M C -1.643 174.587 176.300 -0.116 0.000 1.253 250 M CA -0.787 54.472 55.300 -0.068 0.000 0.867 250 M CB 2.211 34.757 32.600 -0.091 0.000 1.727 250 M HN 0.354 nan 8.290 nan 0.000 0.467 251 V N 0.769 120.602 119.914 -0.136 0.000 2.487 251 V HA 0.515 4.635 4.120 0.000 0.000 0.298 251 V C -0.460 175.433 176.094 -0.335 0.000 1.028 251 V CA -0.540 61.578 62.300 -0.303 0.000 0.860 251 V CB 2.048 33.609 31.823 -0.438 0.000 0.991 251 V HN 0.890 nan 8.190 nan 0.000 0.427 252 T N 5.647 119.986 114.554 -0.360 0.000 2.767 252 T HA 0.635 4.985 4.350 0.000 0.000 0.284 252 T C -0.422 174.045 174.700 -0.388 0.000 0.973 252 T CA 0.029 61.985 62.100 -0.240 0.000 0.996 252 T CB 0.431 69.222 68.868 -0.128 0.000 0.927 252 T HN 0.282 nan 8.240 nan 0.000 0.456 253 F N 1.733 121.666 119.950 -0.029 0.000 2.411 253 F HA 0.408 4.934 4.527 -0.002 0.000 0.324 253 F C 1.929 177.718 175.800 -0.018 0.000 1.086 253 F CA -1.256 56.731 58.000 -0.022 0.000 1.028 253 F CB 0.538 39.526 39.000 -0.020 0.000 1.284 253 F HN 0.544 nan 8.300 nan 0.000 0.501 254 I N -1.491 119.190 120.570 0.184 0.000 2.567 254 I HA -0.152 4.018 4.170 0.000 0.000 0.257 254 I C 1.298 177.459 176.117 0.074 0.000 1.184 254 I CA 1.223 62.578 61.300 0.090 0.000 1.451 254 I CB -0.599 37.447 38.000 0.076 0.000 1.089 254 I HN 0.539 nan 8.210 nan 0.000 0.441 255 D N 1.073 121.530 120.400 0.094 0.000 2.349 255 D HA 0.113 4.753 4.640 0.000 0.000 0.215 255 D C 1.739 178.069 176.300 0.049 0.000 1.016 255 D CA 0.800 54.834 54.000 0.056 0.000 0.870 255 D CB 0.117 40.940 40.800 0.038 0.000 0.917 255 D HN 0.515 nan 8.370 nan 0.000 0.524 256 G N -0.358 108.480 108.800 0.064 0.000 2.195 256 G HA2 -0.250 3.710 3.960 0.000 0.000 0.224 256 G HA3 -0.250 3.710 3.960 0.000 0.000 0.224 256 G C 0.291 175.225 174.900 0.057 0.000 0.990 256 G CA 0.196 45.322 45.100 0.044 0.000 0.639 256 G HN 0.576 nan 8.290 nan 0.000 0.514 257 S N 0.908 116.666 115.700 0.097 0.000 2.528 257 S HA 0.590 5.061 4.470 0.000 0.000 0.277 257 S C 0.436 175.145 174.600 0.181 0.000 1.297 257 S CA 0.925 59.191 58.200 0.110 0.000 1.052 257 S CB 0.694 63.945 63.200 0.084 0.000 0.917 257 S HN 0.463 nan 8.310 nan 0.000 0.492 258 T N 6.133 120.753 114.554 0.111 0.000 2.797 258 T HA 0.510 4.860 4.350 0.000 0.000 0.279 258 T C -0.577 174.195 174.700 0.121 0.000 0.991 258 T CA -0.556 61.600 62.100 0.094 0.000 0.979 258 T CB 0.628 69.492 68.868 -0.007 0.000 0.943 258 T HN 0.466 nan 8.240 nan 0.000 0.444 259 I N 2.867 123.539 120.570 0.170 0.000 2.378 259 I HA 0.665 4.835 4.170 0.000 0.000 0.291 259 I C 0.186 176.355 176.117 0.088 0.000 0.992 259 I CA -0.967 60.427 61.300 0.156 0.000 1.154 259 I CB 1.025 39.180 38.000 0.258 0.000 1.315 259 I HN 0.705 nan 8.210 nan 0.000 0.448 260 A N 6.540 129.406 122.820 0.076 0.000 2.374 260 A HA 0.653 4.973 4.320 0.000 0.000 0.317 260 A C -0.688 176.938 177.584 0.069 0.000 1.094 260 A CA -0.589 51.478 52.037 0.051 0.000 0.765 260 A CB 2.190 21.217 19.000 0.045 0.000 1.268 260 A HN 0.643 nan 8.150 nan 0.000 0.438 261 Q N 0.933 120.765 119.800 0.053 0.000 2.307 261 Q HA 0.656 4.996 4.340 0.000 0.000 0.262 261 Q C -1.088 174.945 176.000 0.054 0.000 0.961 261 Q CA -0.400 55.451 55.803 0.080 0.000 0.882 261 Q CB 1.715 30.513 28.738 0.100 0.000 1.264 261 Q HN 1.016 nan 8.270 nan 0.000 0.446 262 A N 2.863 125.720 122.820 0.061 0.000 2.393 262 A HA 0.807 5.127 4.320 0.000 0.000 0.306 262 A C -1.180 176.447 177.584 0.072 0.000 1.050 262 A CA -0.307 51.701 52.037 -0.048 0.000 0.724 262 A CB 1.389 20.272 19.000 -0.194 0.000 1.248 262 A HN 0.819 nan 8.150 nan 0.000 0.424 263 S N 1.156 116.912 115.700 0.094 0.000 2.558 263 S HA 0.718 5.188 4.470 0.000 0.000 0.277 263 S C -3.447 171.239 174.600 0.142 0.000 1.143 263 S CA -1.275 57.000 58.200 0.125 0.000 0.865 263 S CB 1.207 64.481 63.200 0.124 0.000 1.102 263 S HN 0.351 nan 8.310 nan 0.000 0.454 264 P HA 0.278 nan 4.420 nan 0.000 0.265 264 P C -2.564 174.795 177.300 0.098 0.000 1.193 264 P CA -0.592 62.537 63.100 0.047 0.000 0.765 264 P CB -0.700 31.011 31.700 0.019 0.000 0.823 265 P HA -0.005 nan 4.420 nan 0.000 0.258 265 P C -0.581 176.734 177.300 0.025 0.000 1.172 265 P CA 1.234 64.392 63.100 0.098 0.000 0.762 265 P CB 0.123 31.855 31.700 0.053 0.000 0.764 266 D N 3.253 123.642 120.400 -0.018 0.000 2.301 266 D HA 0.050 4.690 4.640 0.000 0.000 0.187 266 D C 0.609 176.872 176.300 -0.061 0.000 1.264 266 D CA -0.316 53.668 54.000 -0.026 0.000 0.849 266 D CB 0.562 41.356 40.800 -0.010 0.000 1.828 266 D HN 0.102 nan 8.370 nan 0.000 0.526 267 M N 1.926 121.493 119.600 -0.054 0.000 2.358 267 M HA -0.074 4.406 4.480 0.000 0.000 0.264 267 M C 1.750 178.018 176.300 -0.052 0.000 1.064 267 M CA 1.015 56.276 55.300 -0.065 0.000 1.093 267 M CB 0.110 32.676 32.600 -0.056 0.000 1.401 267 M HN 0.256 nan 8.290 nan 0.000 0.440 268 K N 0.246 120.625 120.400 -0.034 0.000 2.209 268 K HA -0.158 4.162 4.320 0.000 0.000 0.204 268 K C 1.881 178.475 176.600 -0.011 0.000 1.048 268 K CA 0.980 57.256 56.287 -0.020 0.000 0.940 268 K CB -0.287 32.210 32.500 -0.004 0.000 0.729 268 K HN 0.236 nan 8.250 nan 0.000 0.451 269 L N 2.227 123.438 121.223 -0.021 0.000 1.961 269 L HA -0.104 4.236 4.340 0.000 0.000 0.210 269 L C -1.161 175.710 176.870 0.001 0.000 1.072 269 L CA 1.861 56.697 54.840 -0.008 0.000 0.749 269 L CB -1.130 40.913 42.059 -0.027 0.000 0.889 269 L HN 0.026 nan 8.230 nan 0.000 0.432 270 P HA -0.161 nan 4.420 nan 0.000 0.218 270 P C 2.149 179.452 177.300 0.006 0.000 1.149 270 P CA 1.753 64.848 63.100 -0.009 0.000 0.817 270 P CB -0.055 31.611 31.700 -0.056 0.000 0.785 271 I N 1.000 121.558 120.570 -0.020 0.000 2.179 271 I HA -0.256 3.914 4.170 0.000 0.000 0.242 271 I C 2.811 178.912 176.117 -0.027 0.000 1.088 271 I CA 2.146 63.425 61.300 -0.035 0.000 1.357 271 I CB -0.908 37.058 38.000 -0.056 0.000 1.051 271 I HN 0.078 nan 8.210 nan 0.000 0.409 272 S N 1.131 116.832 115.700 0.001 0.000 2.370 272 S HA -0.211 4.259 4.470 0.000 0.000 0.226 272 S C 1.998 176.675 174.600 0.128 0.000 1.033 272 S CA 1.156 59.382 58.200 0.043 0.000 1.011 272 S CB -0.773 62.477 63.200 0.084 0.000 0.852 272 S HN 0.365 nan 8.310 nan 0.000 0.457 273 L N 1.926 123.236 121.223 0.145 0.000 2.109 273 L HA 0.336 4.676 4.340 0.000 0.000 0.207 273 L C 2.688 179.754 176.870 0.327 0.000 1.086 273 L CA 1.437 56.426 54.840 0.248 0.000 0.760 273 L CB -1.276 40.945 42.059 0.270 0.000 0.910 273 L HN 0.358 nan 8.230 nan 0.000 0.437 274 A N -0.417 122.514 122.820 0.184 0.000 1.902 274 A HA -0.176 4.144 4.320 0.000 0.000 0.217 274 A C 2.249 179.910 177.584 0.128 0.000 1.181 274 A CA 2.015 54.121 52.037 0.116 0.000 0.623 274 A CB -0.843 18.160 19.000 0.005 0.000 0.818 274 A HN 0.486 nan 8.150 nan 0.000 0.443 275 L N -1.144 120.113 121.223 0.057 0.000 2.056 275 L HA -0.094 4.246 4.340 0.000 0.000 0.207 275 L C 2.588 179.637 176.870 0.298 0.000 1.078 275 L CA 1.229 56.063 54.840 -0.011 0.000 0.749 275 L CB -0.586 41.185 42.059 -0.480 0.000 0.901 275 L HN 0.508 nan 8.230 nan 0.000 0.433 276 G N -2.008 107.041 108.800 0.415 0.000 3.042 276 G HA2 -0.139 3.821 3.960 0.000 0.000 0.212 276 G HA3 -0.139 3.821 3.960 0.000 0.000 0.212 276 G C 0.454 175.518 174.900 0.274 0.000 1.166 276 G CA -0.544 44.817 45.100 0.434 0.000 0.767 276 G HN 0.227 nan 8.290 nan 0.000 0.546 277 W N 2.546 123.915 121.300 0.116 0.000 2.484 277 W HA 0.020 4.680 4.660 -0.001 0.000 0.337 277 W C -1.496 175.062 176.519 0.063 0.000 1.214 277 W CA -0.793 56.598 57.345 0.077 0.000 1.296 277 W CB 0.946 30.443 29.460 0.063 0.000 1.174 277 W HN 0.120 nan 8.180 nan 0.000 0.564 278 P HA 0.038 nan 4.420 nan 0.000 0.255 278 P C 0.262 177.205 177.300 -0.595 0.000 1.248 278 P CA 0.489 62.908 63.100 -1.134 0.000 0.807 278 P CB 0.144 31.332 31.700 -0.855 0.000 1.150 279 R N 1.457 121.808 120.500 -0.249 0.000 2.254 279 R HA 0.286 4.626 4.340 0.000 0.000 0.318 279 R C 0.326 176.594 176.300 -0.052 0.000 1.031 279 R CA -0.523 55.493 56.100 -0.140 0.000 0.905 279 R CB 0.909 31.157 30.300 -0.088 0.000 1.050 279 R HN 0.106 nan 8.270 nan 0.000 0.456 280 R N 1.490 121.959 120.500 -0.051 0.000 2.643 280 R HA 0.148 4.488 4.340 0.000 0.000 0.270 280 R C -0.256 176.066 176.300 0.038 0.000 1.061 280 R CA -0.277 55.831 56.100 0.012 0.000 1.107 280 R CB 0.734 31.035 30.300 0.002 0.000 0.999 280 R HN 0.243 nan 8.270 nan 0.000 0.460 281 V N 2.234 122.197 119.914 0.082 0.000 2.333 281 V HA 0.040 4.160 4.120 0.000 0.000 0.274 281 V C 0.502 176.636 176.094 0.066 0.000 1.028 281 V CA -0.353 62.004 62.300 0.094 0.000 0.851 281 V CB 1.338 33.274 31.823 0.187 0.000 1.000 281 V HN 0.774 nan 8.190 nan 0.000 0.456 282 S N 4.374 120.098 115.700 0.040 0.000 2.544 282 S HA 0.355 4.825 4.470 0.000 0.000 0.290 282 S C 1.341 175.967 174.600 0.042 0.000 1.276 282 S CA 0.838 59.058 58.200 0.033 0.000 1.075 282 S CB -0.073 63.138 63.200 0.018 0.000 0.849 282 S HN 1.879 nan 8.310 nan 0.000 0.494 283 G N 3.314 112.138 108.800 0.040 0.000 2.143 283 G HA2 -0.246 3.714 3.960 0.000 0.000 0.248 283 G HA3 -0.246 3.714 3.960 0.000 0.000 0.248 283 G C 0.914 175.840 174.900 0.044 0.000 0.991 283 G CA 0.398 45.522 45.100 0.040 0.000 0.689 283 G HN 1.315 nan 8.290 nan 0.000 0.522 284 A N -0.857 121.994 122.820 0.051 0.000 1.908 284 A HA 0.565 4.885 4.320 0.000 0.000 0.218 284 A C 1.623 179.228 177.584 0.035 0.000 1.181 284 A CA 2.505 54.572 52.037 0.050 0.000 0.627 284 A CB -0.127 18.909 19.000 0.059 0.000 0.818 284 A HN 2.363 nan 8.150 nan 0.000 0.445 285 A N -2.718 120.121 122.820 0.032 0.000 2.593 285 A HA 0.706 5.026 4.320 0.000 0.000 0.290 285 A C -0.120 177.480 177.584 0.028 0.000 1.126 285 A CA -0.140 51.911 52.037 0.025 0.000 0.695 285 A CB 0.198 19.207 19.000 0.015 0.000 1.290 285 A HN 1.463 nan 8.150 nan 0.000 0.414 286 A N 0.113 122.947 122.820 0.024 0.000 2.425 286 A HA 0.641 4.961 4.320 0.000 0.000 0.249 286 A C 0.670 178.270 177.584 0.027 0.000 1.084 286 A CA 0.439 52.491 52.037 0.025 0.000 0.781 286 A CB -0.122 18.889 19.000 0.018 0.000 1.019 286 A HN 2.327 nan 8.150 nan 0.000 0.490 287 A N 0.889 123.727 122.820 0.031 0.000 2.271 287 A HA 0.495 4.815 4.320 0.000 0.000 0.288 287 A C 0.421 177.997 177.584 -0.013 0.000 1.094 287 A CA -0.371 51.686 52.037 0.034 0.000 0.828 287 A CB -0.067 18.969 19.000 0.059 0.000 1.091 287 A HN 1.028 nan 8.150 nan 0.000 0.493 288 C N 1.673 120.950 119.300 -0.038 0.000 2.538 288 C HA 0.163 4.623 4.460 0.000 0.000 0.408 288 C C 0.494 175.239 174.990 -0.407 0.000 1.421 288 C CA 0.397 59.278 59.018 -0.229 0.000 1.642 288 C CB -1.173 26.423 27.740 -0.240 0.000 2.553 288 C HN 0.781 nan 8.230 nan 0.000 0.604 289 D N 1.318 121.459 120.400 -0.431 0.000 2.344 289 D HA 0.352 4.992 4.640 0.000 0.000 0.239 289 D C -0.338 175.706 176.300 -0.427 0.000 1.064 289 D CA -0.520 53.310 54.000 -0.282 0.000 0.829 289 D CB 0.598 41.376 40.800 -0.037 0.000 1.129 289 D HN 0.494 nan 8.370 nan 0.000 0.506 290 F N 1.959 121.862 119.950 -0.079 0.000 2.668 290 F HA 0.198 4.726 4.527 0.002 0.000 0.297 290 F C 1.504 177.191 175.800 -0.189 0.000 1.124 290 F CA -0.290 57.631 58.000 -0.132 0.000 1.353 290 F CB 0.244 39.150 39.000 -0.156 0.000 0.992 290 F HN 0.485 nan 8.300 nan 0.000 0.524 291 H N -1.613 117.523 119.070 0.111 0.000 2.482 291 H HA 0.026 4.582 4.556 0.001 0.000 0.286 291 H C 1.249 176.608 175.328 0.053 0.000 1.017 291 H CA 0.989 57.082 56.048 0.075 0.000 1.322 291 H CB 0.352 30.144 29.762 0.050 0.000 1.426 291 H HN 0.039 nan 8.280 nan 0.000 0.546 292 T N 0.084 114.720 114.554 0.137 0.000 2.855 292 T HA 0.631 4.981 4.350 0.000 0.000 0.281 292 T C -0.177 174.561 174.700 0.064 0.000 1.007 292 T CA -0.744 61.407 62.100 0.085 0.000 1.009 292 T CB 0.865 69.772 68.868 0.064 0.000 0.983 292 T HN 0.313 nan 8.240 nan 0.000 0.455 293 A N 3.288 126.136 122.820 0.048 0.000 2.483 293 A HA 0.594 4.914 4.320 0.000 0.000 0.238 293 A C 0.581 178.182 177.584 0.029 0.000 1.070 293 A CA 0.149 52.205 52.037 0.032 0.000 0.770 293 A CB -0.300 18.711 19.000 0.018 0.000 1.008 293 A HN 1.432 nan 8.150 nan 0.000 0.497 294 S N 0.041 115.750 115.700 0.014 0.000 2.643 294 S HA 0.824 5.294 4.470 0.000 0.000 0.270 294 S C -0.661 173.921 174.600 -0.030 0.000 1.166 294 S CA -0.011 58.202 58.200 0.022 0.000 0.815 294 S CB 1.274 64.517 63.200 0.071 0.000 1.139 294 S HN 2.150 nan 8.310 nan 0.000 0.472 295 S N -0.025 115.688 115.700 0.022 0.000 2.546 295 S HA 0.754 5.224 4.470 0.000 0.000 0.274 295 S C -2.010 172.720 174.600 0.216 0.000 1.121 295 S CA -0.747 57.455 58.200 0.003 0.000 0.887 295 S CB 0.849 64.060 63.200 0.017 0.000 1.094 295 S HN 0.772 nan 8.310 nan 0.000 0.474 296 W N 1.818 123.128 121.300 0.016 0.000 2.318 296 W HA 0.498 5.159 4.660 0.001 0.000 0.315 296 W C -0.064 176.309 176.519 -0.243 0.000 1.033 296 W CA -1.106 56.217 57.345 -0.037 0.000 1.275 296 W CB 0.187 29.648 29.460 0.002 0.000 1.250 296 W HN 0.754 nan 8.180 nan 0.000 0.421 297 E N 2.180 122.331 120.200 -0.082 0.000 2.231 297 E HA 0.596 4.946 4.350 0.000 0.000 0.277 297 E C -1.130 175.217 176.600 -0.423 0.000 0.999 297 E CA -0.685 55.624 56.400 -0.151 0.000 0.827 297 E CB 1.530 31.205 29.700 -0.041 0.000 1.101 297 E HN 0.061 nan 8.360 nan 0.000 0.393 298 F N 1.215 121.267 119.950 0.170 0.000 2.551 298 F HA 0.349 4.876 4.527 -0.000 0.000 0.316 298 F C 0.030 175.883 175.800 0.088 0.000 1.089 298 F CA -0.842 57.233 58.000 0.124 0.000 0.915 298 F CB 1.858 40.903 39.000 0.074 0.000 1.186 298 F HN 0.381 nan 8.300 nan 0.000 0.456 299 E N 1.819 122.166 120.200 0.245 0.000 2.392 299 E HA 0.524 4.874 4.350 0.000 0.000 0.279 299 E C -3.283 173.399 176.600 0.137 0.000 0.964 299 E CA -2.414 54.082 56.400 0.161 0.000 0.777 299 E CB 2.562 32.332 29.700 0.116 0.000 1.249 299 E HN 0.142 nan 8.360 nan 0.000 0.449 300 P HA 0.078 nan 4.420 nan 0.000 0.272 300 P C -0.643 176.715 177.300 0.097 0.000 1.230 300 P CA -0.621 62.536 63.100 0.096 0.000 0.788 300 P CB 0.657 32.409 31.700 0.086 0.000 0.949 301 L N 1.757 123.034 121.223 0.091 0.000 2.305 301 L HA 0.294 4.634 4.340 0.000 0.000 0.281 301 L C 0.112 177.076 176.870 0.157 0.000 1.085 301 L CA -0.135 54.768 54.840 0.103 0.000 0.813 301 L CB 0.060 42.164 42.059 0.074 0.000 1.157 301 L HN 0.214 nan 8.230 nan 0.000 0.436 302 D N 2.525 123.067 120.400 0.237 0.000 2.359 302 D HA 0.028 4.668 4.640 0.000 0.000 0.250 302 D C 1.139 177.584 176.300 0.241 0.000 1.264 302 D CA 0.434 54.567 54.000 0.221 0.000 0.911 302 D CB 1.147 42.081 40.800 0.222 0.000 1.056 302 D HN 0.767 nan 8.370 nan 0.000 0.499 303 T N 0.332 114.982 114.554 0.160 0.000 3.035 303 T HA -0.114 4.236 4.350 0.000 0.000 0.268 303 T C 1.088 175.847 174.700 0.098 0.000 1.109 303 T CA 0.542 62.727 62.100 0.141 0.000 1.119 303 T CB 0.170 69.099 68.868 0.101 0.000 0.900 303 T HN 0.201 nan 8.240 nan 0.000 0.503 304 D N 1.255 121.699 120.400 0.074 0.000 2.144 304 D HA -0.015 4.625 4.640 0.000 0.000 0.200 304 D C 2.211 178.502 176.300 -0.014 0.000 0.978 304 D CA 0.838 54.857 54.000 0.031 0.000 0.833 304 D CB -0.108 40.708 40.800 0.027 0.000 0.961 304 D HN 0.371 nan 8.370 nan 0.000 0.470 305 V N -0.266 119.630 119.914 -0.030 0.000 2.535 305 V HA -0.036 4.084 4.120 0.000 0.000 0.246 305 V C 0.522 176.337 176.094 -0.464 0.000 1.045 305 V CA 0.812 62.970 62.300 -0.238 0.000 1.058 305 V CB -0.147 31.524 31.823 -0.254 0.000 0.689 305 V HN 0.006 nan 8.190 nan 0.000 0.461 306 F N 1.484 121.476 119.950 0.069 0.000 2.453 306 F HA 0.421 4.948 4.527 -0.000 0.000 0.358 306 F C -1.920 173.908 175.800 0.047 0.000 1.129 306 F CA -1.863 56.173 58.000 0.061 0.000 1.200 306 F CB 1.237 40.285 39.000 0.081 0.000 1.431 306 F HN 0.045 nan 8.300 nan 0.000 0.503 307 P HA 0.084 nan 4.420 nan 0.000 0.257 307 P C 1.262 178.633 177.300 0.117 0.000 1.281 307 P CA 0.408 63.571 63.100 0.105 0.000 0.826 307 P CB 0.432 32.167 31.700 0.058 0.000 1.237 308 A N 0.469 123.375 122.820 0.143 0.000 1.940 308 A HA -0.140 4.180 4.320 0.000 0.000 0.219 308 A C 2.214 179.912 177.584 0.191 0.000 1.176 308 A CA 1.924 54.063 52.037 0.170 0.000 0.631 308 A CB -1.532 17.559 19.000 0.152 0.000 0.814 308 A HN 0.104 nan 8.150 nan 0.000 0.446 309 V N 0.154 120.147 119.914 0.133 0.000 2.379 309 V HA -0.175 3.945 4.120 0.000 0.000 0.245 309 V C 2.473 178.585 176.094 0.031 0.000 1.044 309 V CA 1.857 64.204 62.300 0.079 0.000 1.036 309 V CB -0.791 31.078 31.823 0.078 0.000 0.664 309 V HN 0.500 nan 8.190 nan 0.000 0.453 310 E N 0.444 120.675 120.200 0.050 0.000 2.097 310 E HA -0.215 4.135 4.350 0.000 0.000 0.196 310 E C 2.238 178.834 176.600 -0.006 0.000 1.000 310 E CA 1.279 57.692 56.400 0.023 0.000 0.804 310 E CB -0.470 29.257 29.700 0.045 0.000 0.740 310 E HN 0.501 nan 8.360 nan 0.000 0.454 311 L N 0.420 121.671 121.223 0.046 0.000 2.046 311 L HA -0.169 4.171 4.340 0.000 0.000 0.208 311 L C 2.525 179.332 176.870 -0.106 0.000 1.077 311 L CA 1.103 55.987 54.840 0.073 0.000 0.747 311 L CB -0.476 41.715 42.059 0.221 0.000 0.896 311 L HN 0.084 nan 8.230 nan 0.000 0.432 312 A N 0.014 122.662 122.820 -0.286 0.000 1.902 312 A HA -0.219 4.101 4.320 0.000 0.000 0.217 312 A C 2.349 179.595 177.584 -0.563 0.000 1.181 312 A CA 1.491 53.074 52.037 -0.756 0.000 0.623 312 A CB -0.473 18.182 19.000 -0.575 0.000 0.818 312 A HN 0.329 nan 8.150 nan 0.000 0.443 313 R N -0.645 119.613 120.500 -0.405 0.000 2.081 313 R HA -0.166 4.174 4.340 0.000 0.000 0.235 313 R C 2.482 178.445 176.300 -0.561 0.000 1.131 313 R CA 1.695 57.447 56.100 -0.580 0.000 0.960 313 R CB -0.382 29.777 30.300 -0.236 0.000 0.856 313 R HN 0.708 nan 8.270 nan 0.000 0.436 314 Q N 0.156 119.777 119.800 -0.299 0.000 2.020 314 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 314 Q C 2.281 178.153 176.000 -0.212 0.000 0.982 314 Q CA 1.693 57.383 55.803 -0.188 0.000 0.838 314 Q CB -0.226 28.485 28.738 -0.046 0.000 0.899 314 Q HN 0.361 nan 8.270 nan 0.000 0.423 315 A N 0.975 123.657 122.820 -0.229 0.000 1.883 315 A HA -0.159 4.161 4.320 0.000 0.000 0.217 315 A C 2.300 179.726 177.584 -0.264 0.000 1.186 315 A CA 1.818 53.743 52.037 -0.187 0.000 0.624 315 A CB -1.315 17.572 19.000 -0.188 0.000 0.822 315 A HN 0.504 nan 8.150 nan 0.000 0.444 316 G N -0.815 107.678 108.800 -0.511 0.000 2.402 316 G HA2 -0.074 3.886 3.960 0.000 0.000 0.216 316 G HA3 -0.074 3.886 3.960 0.000 0.000 0.216 316 G C 1.497 176.143 174.900 -0.423 0.000 1.162 316 G CA 1.183 45.932 45.100 -0.585 0.000 0.777 316 G HN 0.328 nan 8.290 nan 0.000 0.539 317 V N 1.554 121.151 119.914 -0.529 0.000 2.358 317 V HA -0.114 4.006 4.120 0.000 0.000 0.246 317 V C 3.324 179.364 176.094 -0.090 0.000 1.047 317 V CA 1.903 64.083 62.300 -0.200 0.000 1.035 317 V CB -0.806 30.915 31.823 -0.171 0.000 0.658 317 V HN 0.465 nan 8.190 nan 0.000 0.452 318 A N -0.745 122.014 122.820 -0.102 0.000 1.940 318 A HA 0.208 4.528 4.320 0.000 0.000 0.219 318 A C 1.722 179.298 177.584 -0.015 0.000 1.176 318 A CA 1.795 53.806 52.037 -0.043 0.000 0.631 318 A CB -0.986 17.996 19.000 -0.030 0.000 0.814 318 A HN 1.238 nan 8.150 nan 0.000 0.446 319 G N -2.929 105.862 108.800 -0.015 0.000 2.642 319 G HA2 0.263 4.223 3.960 0.000 0.000 0.231 319 G HA3 0.263 4.223 3.960 0.000 0.000 0.231 319 G C 1.236 176.158 174.900 0.037 0.000 1.338 319 G CA 0.671 45.787 45.100 0.027 0.000 0.883 319 G HN 2.322 nan 8.290 nan 0.000 0.570 320 G N -1.930 106.898 108.800 0.047 0.000 2.602 320 G HA2 -0.199 3.761 3.960 0.000 0.000 0.310 320 G HA3 -0.199 3.761 3.960 0.000 0.000 0.310 320 G C 1.361 176.299 174.900 0.062 0.000 1.183 320 G CA 1.859 46.992 45.100 0.054 0.000 0.979 320 G HN 2.187 nan 8.290 nan 0.000 0.545 321 C N 1.527 120.882 119.300 0.092 0.000 2.780 321 C HA 0.437 4.897 4.460 0.000 0.000 0.287 321 C C 2.697 177.719 174.990 0.054 0.000 1.288 321 C CA 0.626 59.687 59.018 0.072 0.000 1.713 321 C CB -1.000 26.806 27.740 0.109 0.000 1.955 321 C HN 0.515 nan 8.230 nan 0.000 0.613 322 M N 1.607 121.248 119.600 0.068 0.000 2.175 322 M HA -0.085 4.395 4.480 0.000 0.000 0.264 322 M C 2.438 178.772 176.300 0.057 0.000 1.063 322 M CA 1.951 57.290 55.300 0.065 0.000 1.119 322 M CB -1.763 30.863 32.600 0.044 0.000 1.377 322 M HN 0.648 nan 8.290 nan 0.000 0.415 323 T N -1.242 113.330 114.554 0.031 0.000 2.904 323 T HA 0.056 4.406 4.350 0.000 0.000 0.267 323 T C 1.955 176.709 174.700 0.089 0.000 1.059 323 T CA 1.205 63.331 62.100 0.042 0.000 1.137 323 T CB -0.513 68.356 68.868 0.003 0.000 0.879 323 T HN 0.299 nan 8.240 nan 0.000 0.467 324 A N 1.343 124.184 122.820 0.035 0.000 1.908 324 A HA 0.032 4.352 4.320 0.000 0.000 0.218 324 A C 2.625 180.205 177.584 -0.007 0.000 1.181 324 A CA 1.738 53.774 52.037 -0.002 0.000 0.627 324 A CB -1.184 17.780 19.000 -0.060 0.000 0.818 324 A HN 0.419 nan 8.150 nan 0.000 0.445 325 V N -1.406 118.505 119.914 -0.005 0.000 2.261 325 V HA -0.301 3.819 4.120 0.000 0.000 0.246 325 V C 2.303 178.444 176.094 0.078 0.000 1.047 325 V CA 2.163 64.477 62.300 0.024 0.000 1.015 325 V CB -1.156 30.705 31.823 0.063 0.000 0.642 325 V HN 0.699 nan 8.190 nan 0.000 0.446 326 Y N 1.872 122.164 120.300 -0.013 0.000 2.030 326 Y HA -0.392 4.158 4.550 0.000 0.000 0.272 326 Y C 2.579 178.463 175.900 -0.026 0.000 1.185 326 Y CA 2.633 60.720 58.100 -0.022 0.000 1.120 326 Y CB -0.506 37.938 38.460 -0.026 0.000 0.955 326 Y HN 0.376 nan 8.280 nan 0.000 0.495 327 N N 0.023 118.789 118.700 0.110 0.000 2.142 327 N HA -0.152 4.588 4.740 0.000 0.000 0.186 327 N C 1.792 177.263 175.510 -0.066 0.000 1.023 327 N CA 1.634 54.690 53.050 0.010 0.000 0.852 327 N CB -0.592 37.947 38.487 0.086 0.000 0.998 327 N HN 0.498 nan 8.380 nan 0.000 0.424 328 A N 0.134 122.926 122.820 -0.047 0.000 1.930 328 A HA 0.142 4.462 4.320 0.000 0.000 0.217 328 A C 2.308 179.842 177.584 -0.083 0.000 1.175 328 A CA 1.649 53.650 52.037 -0.060 0.000 0.627 328 A CB -1.093 17.873 19.000 -0.057 0.000 0.815 328 A HN 0.415 nan 8.150 nan 0.000 0.443 329 A N 0.523 123.285 122.820 -0.097 0.000 1.902 329 A HA -0.232 4.088 4.320 0.000 0.000 0.217 329 A C 1.960 179.447 177.584 -0.162 0.000 1.181 329 A CA 2.143 54.107 52.037 -0.123 0.000 0.623 329 A CB -0.791 18.137 19.000 -0.120 0.000 0.818 329 A HN 0.629 nan 8.150 nan 0.000 0.443 330 N N -0.234 118.330 118.700 -0.228 0.000 2.043 330 N HA -0.217 4.523 4.740 0.000 0.000 0.193 330 N C 1.653 177.088 175.510 -0.125 0.000 1.037 330 N CA 2.095 55.013 53.050 -0.221 0.000 0.851 330 N CB -0.317 38.002 38.487 -0.280 0.000 1.027 330 N HN 0.506 nan 8.380 nan 0.000 0.422 331 E N -0.059 120.084 120.200 -0.096 0.000 2.097 331 E HA -0.215 4.135 4.350 0.000 0.000 0.196 331 E C 1.725 178.296 176.600 -0.048 0.000 1.000 331 E CA 1.319 57.685 56.400 -0.057 0.000 0.804 331 E CB -0.218 29.454 29.700 -0.047 0.000 0.740 331 E HN 0.407 nan 8.360 nan 0.000 0.454 332 E N -0.281 119.881 120.200 -0.062 0.000 2.028 332 E HA -0.065 4.285 4.350 0.000 0.000 0.191 332 E C 1.806 178.379 176.600 -0.045 0.000 0.988 332 E CA 1.442 57.809 56.400 -0.055 0.000 0.799 332 E CB -0.450 29.208 29.700 -0.071 0.000 0.755 332 E HN 0.262 nan 8.360 nan 0.000 0.447 333 A N 0.794 123.575 122.820 -0.064 0.000 1.902 333 A HA -0.029 4.291 4.320 0.000 0.000 0.217 333 A C 2.432 180.015 177.584 -0.002 0.000 1.181 333 A CA 2.120 54.125 52.037 -0.054 0.000 0.623 333 A CB -1.043 17.894 19.000 -0.105 0.000 0.818 333 A HN 0.367 nan 8.150 nan 0.000 0.443 334 A N -0.142 122.671 122.820 -0.011 0.000 1.902 334 A HA 0.156 4.476 4.320 0.000 0.000 0.217 334 A C 2.491 180.148 177.584 0.122 0.000 1.181 334 A CA 2.104 54.180 52.037 0.064 0.000 0.623 334 A CB -0.978 18.036 19.000 0.024 0.000 0.818 334 A HN 1.054 nan 8.150 nan 0.000 0.443 335 A N -0.241 122.609 122.820 0.050 0.000 1.930 335 A HA 0.208 4.528 4.320 0.000 0.000 0.217 335 A C 2.471 180.070 177.584 0.024 0.000 1.175 335 A CA 1.890 53.945 52.037 0.030 0.000 0.627 335 A CB -0.917 18.084 19.000 0.001 0.000 0.815 335 A HN 1.031 nan 8.150 nan 0.000 0.443 336 A N -0.963 121.877 122.820 0.033 0.000 1.933 336 A HA -0.042 4.278 4.320 0.000 0.000 0.218 336 A C 2.019 179.643 177.584 0.067 0.000 1.175 336 A CA 1.619 53.674 52.037 0.030 0.000 0.628 336 A CB -0.700 18.312 19.000 0.020 0.000 0.814 336 A HN 0.750 nan 8.150 nan 0.000 0.444 337 F N 0.722 120.665 119.950 -0.012 0.000 2.102 337 F HA -0.109 4.418 4.527 0.000 0.000 0.298 337 F C 1.798 177.618 175.800 0.034 0.000 1.105 337 F CA 1.646 59.657 58.000 0.019 0.000 1.239 337 F CB -0.416 38.606 39.000 0.037 0.000 0.991 337 F HN 0.127 nan 8.300 nan 0.000 0.474 338 L N 0.135 121.225 121.223 -0.221 0.000 2.187 338 L HA -0.172 4.168 4.340 0.000 0.000 0.213 338 L C 2.487 179.222 176.870 -0.226 0.000 1.100 338 L CA 1.133 55.801 54.840 -0.287 0.000 0.765 338 L CB -1.023 40.990 42.059 -0.076 0.000 0.904 338 L HN 0.311 nan 8.230 nan 0.000 0.437 339 A N -0.769 121.966 122.820 -0.142 0.000 2.275 339 A HA 0.343 4.663 4.320 0.000 0.000 0.212 339 A C 1.718 179.240 177.584 -0.102 0.000 1.201 339 A CA 0.633 52.611 52.037 -0.098 0.000 0.843 339 A CB -0.204 18.764 19.000 -0.054 0.000 0.873 339 A HN 0.483 nan 8.150 nan 0.000 0.492 340 G N -0.434 108.277 108.800 -0.148 0.000 2.143 340 G HA2 -0.294 3.666 3.960 0.000 0.000 0.248 340 G HA3 -0.294 3.666 3.960 0.000 0.000 0.248 340 G C 0.940 175.821 174.900 -0.031 0.000 0.991 340 G CA 0.617 45.653 45.100 -0.107 0.000 0.689 340 G HN 0.539 nan 8.290 nan 0.000 0.522 341 R N -0.360 120.133 120.500 -0.013 0.000 2.200 341 R HA 0.355 4.695 4.340 0.000 0.000 0.208 341 R C 1.543 177.862 176.300 0.032 0.000 1.033 341 R CA 1.437 57.541 56.100 0.006 0.000 1.000 341 R CB 0.027 30.325 30.300 -0.003 0.000 0.906 341 R HN 0.793 nan 8.270 nan 0.000 0.462 342 I N -4.872 115.745 120.570 0.078 0.000 3.191 342 I HA 0.599 4.769 4.170 0.000 0.000 0.313 342 I C -0.066 176.189 176.117 0.230 0.000 1.193 342 I CA -1.468 59.897 61.300 0.108 0.000 0.968 342 I CB 1.733 39.779 38.000 0.076 0.000 1.262 342 I HN -0.172 nan 8.210 nan 0.000 0.456 343 G N 0.448 109.358 108.800 0.183 0.000 2.528 343 G HA2 0.299 4.260 3.960 0.000 0.000 0.289 343 G HA3 0.299 4.260 3.960 0.000 0.000 0.289 343 G C -0.105 174.880 174.900 0.142 0.000 1.192 343 G CA -0.448 44.804 45.100 0.253 0.000 0.921 343 G HN 0.742 nan 8.290 nan 0.000 0.512 344 F N 1.543 121.366 119.950 -0.211 0.000 2.069 344 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 344 F C 0.052 175.621 175.800 -0.384 0.000 1.113 344 F CA 1.738 59.312 58.000 -0.710 0.000 1.214 344 F CB -0.567 38.036 39.000 -0.662 0.000 0.978 344 F HN 0.292 nan 8.300 nan 0.000 0.474 345 P HA -0.101 nan 4.420 nan 0.000 0.222 345 P C 1.243 178.403 177.300 -0.234 0.000 1.147 345 P CA 1.798 64.761 63.100 -0.229 0.000 0.790 345 P CB -0.348 31.285 31.700 -0.112 0.000 0.780 346 A N -0.919 121.790 122.820 -0.184 0.000 2.119 346 A HA -0.103 4.217 4.320 0.000 0.000 0.217 346 A C 2.036 179.512 177.584 -0.180 0.000 1.153 346 A CA 0.783 52.736 52.037 -0.139 0.000 0.692 346 A CB -1.390 17.570 19.000 -0.067 0.000 0.799 346 A HN 0.124 nan 8.150 nan 0.000 0.458 347 I N -0.657 119.742 120.570 -0.286 0.000 2.099 347 I HA -0.239 3.931 4.170 0.000 0.000 0.239 347 I C 2.246 178.211 176.117 -0.254 0.000 1.066 347 I CA 1.460 62.588 61.300 -0.286 0.000 1.324 347 I CB -0.405 37.339 38.000 -0.427 0.000 1.037 347 I HN 0.149 nan 8.210 nan 0.000 0.401 348 V N 0.918 120.666 119.914 -0.276 0.000 2.719 348 V HA -0.103 4.017 4.120 0.000 0.000 0.252 348 V C 2.514 178.516 176.094 -0.154 0.000 1.065 348 V CA 1.743 63.922 62.300 -0.201 0.000 1.086 348 V CB -1.079 30.646 31.823 -0.163 0.000 0.700 348 V HN 0.581 nan 8.190 nan 0.000 0.467 349 G N 0.324 109.034 108.800 -0.149 0.000 2.446 349 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 349 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 349 G C 1.568 176.400 174.900 -0.114 0.000 1.168 349 G CA 1.194 46.228 45.100 -0.110 0.000 0.771 349 G HN 0.494 nan 8.290 nan 0.000 0.551 350 I N 0.497 120.992 120.570 -0.125 0.000 2.353 350 I HA -0.060 4.110 4.170 0.000 0.000 0.248 350 I C 2.632 178.665 176.117 -0.140 0.000 1.119 350 I CA 0.447 61.676 61.300 -0.118 0.000 1.417 350 I CB -0.142 37.793 38.000 -0.108 0.000 1.078 350 I HN 0.152 nan 8.210 nan 0.000 0.421 351 I N 0.850 121.317 120.570 -0.172 0.000 2.118 351 I HA -0.371 3.799 4.170 0.000 0.000 0.241 351 I C 2.812 178.819 176.117 -0.184 0.000 1.070 351 I CA 1.630 62.813 61.300 -0.195 0.000 1.327 351 I CB -0.604 37.225 38.000 -0.286 0.000 1.034 351 I HN 0.215 nan 8.210 nan 0.000 0.405 352 A N 0.530 123.221 122.820 -0.216 0.000 1.883 352 A HA -0.262 4.058 4.320 0.000 0.000 0.217 352 A C 1.971 179.189 177.584 -0.610 0.000 1.186 352 A CA 2.285 54.067 52.037 -0.426 0.000 0.624 352 A CB -0.671 18.180 19.000 -0.247 0.000 0.822 352 A HN 0.388 nan 8.150 nan 0.000 0.444 353 D N -0.427 119.817 120.400 -0.261 0.000 2.144 353 D HA -0.083 4.557 4.640 0.000 0.000 0.200 353 D C 2.089 178.358 176.300 -0.051 0.000 0.978 353 D CA 1.376 55.307 54.000 -0.115 0.000 0.833 353 D CB -0.414 40.356 40.800 -0.050 0.000 0.961 353 D HN 0.237 nan 8.370 nan 0.000 0.470 354 V N 1.061 120.940 119.914 -0.058 0.000 2.307 354 V HA -0.181 3.939 4.120 0.000 0.000 0.245 354 V C 2.699 178.902 176.094 0.182 0.000 1.045 354 V CA 0.984 63.313 62.300 0.048 0.000 1.024 354 V CB -0.449 31.374 31.823 -0.000 0.000 0.651 354 V HN 0.186 nan 8.190 nan 0.000 0.449 355 L N -0.563 120.692 121.223 0.054 0.000 2.043 355 L HA -0.228 4.112 4.340 0.000 0.000 0.212 355 L C 2.703 179.688 176.870 0.190 0.000 1.075 355 L CA 1.624 56.528 54.840 0.106 0.000 0.752 355 L CB -0.785 41.290 42.059 0.026 0.000 0.891 355 L HN 0.448 nan 8.230 nan 0.000 0.432 356 H N -0.732 118.411 119.070 0.122 0.000 2.491 356 H HA -0.001 4.555 4.556 -0.000 0.000 0.290 356 H C 1.949 177.349 175.328 0.120 0.000 1.050 356 H CA 0.961 57.064 56.048 0.093 0.000 1.309 356 H CB -0.158 29.642 29.762 0.063 0.000 1.392 356 H HN 0.332 nan 8.280 nan 0.000 0.554 357 A N 0.122 123.121 122.820 0.298 0.000 2.275 357 A HA 0.436 4.756 4.320 0.000 0.000 0.212 357 A C 1.947 179.759 177.584 0.380 0.000 1.201 357 A CA 0.568 52.804 52.037 0.332 0.000 0.843 357 A CB -0.041 19.177 19.000 0.364 0.000 0.873 357 A HN 0.316 nan 8.150 nan 0.000 0.492 358 A N -0.629 122.351 122.820 0.267 0.000 2.423 358 A HA 0.255 4.575 4.320 0.000 0.000 0.246 358 A C 0.888 178.437 177.584 -0.058 0.000 1.278 358 A CA 0.298 52.367 52.037 0.053 0.000 0.903 358 A CB -0.167 18.962 19.000 0.215 0.000 0.997 358 A HN 0.245 nan 8.150 nan 0.000 0.510 359 D N 0.890 121.262 120.400 -0.046 0.000 2.265 359 D HA -0.218 4.422 4.640 0.000 0.000 0.208 359 D C 2.231 178.418 176.300 -0.187 0.000 0.977 359 D CA 1.547 55.503 54.000 -0.074 0.000 0.871 359 D CB -0.139 40.635 40.800 -0.044 0.000 0.925 359 D HN 0.854 nan 8.370 nan 0.000 0.485 360 Q N -0.648 118.927 119.800 -0.375 0.000 2.364 360 Q HA -0.169 4.171 4.340 0.000 0.000 0.209 360 Q C 1.168 176.762 176.000 -0.676 0.000 0.977 360 Q CA 0.950 56.403 55.803 -0.584 0.000 0.885 360 Q CB -0.629 27.605 28.738 -0.840 0.000 0.941 360 Q HN 0.427 nan 8.270 nan 0.000 0.464 361 W N 0.044 121.181 121.300 -0.272 0.000 3.353 361 W HA 0.457 5.117 4.660 -0.000 0.000 0.304 361 W C 1.875 178.319 176.519 -0.124 0.000 1.273 361 W CA -0.099 57.117 57.345 -0.215 0.000 1.773 361 W CB 0.416 29.716 29.460 -0.267 0.000 1.095 361 W HN 0.220 nan 8.180 nan 0.000 0.676 362 A N 0.079 122.915 122.820 0.026 0.000 2.168 362 A HA 0.045 4.365 4.320 0.000 0.000 0.215 362 A C 0.938 178.531 177.584 0.014 0.000 1.152 362 A CA 0.485 52.534 52.037 0.020 0.000 0.716 362 A CB -0.567 18.426 19.000 -0.011 0.000 0.794 362 A HN -0.029 nan 8.150 nan 0.000 0.465 363 V N 2.049 121.960 119.914 -0.004 0.000 2.740 363 V HA 0.025 4.145 4.120 0.000 0.000 0.303 363 V C 0.321 176.439 176.094 0.041 0.000 1.054 363 V CA -0.510 61.789 62.300 -0.002 0.000 1.106 363 V CB 0.577 32.375 31.823 -0.041 0.000 0.957 363 V HN 0.449 nan 8.190 nan 0.000 0.486 364 E N 5.743 125.960 120.200 0.029 0.000 2.384 364 E HA 0.164 4.514 4.350 0.000 0.000 0.266 364 E C -2.152 174.474 176.600 0.043 0.000 1.012 364 E CA -1.410 55.011 56.400 0.035 0.000 0.901 364 E CB 0.273 29.986 29.700 0.022 0.000 0.967 364 E HN 0.486 nan 8.360 nan 0.000 0.435 365 P HA 0.113 nan 4.420 nan 0.000 0.275 365 P C -0.309 177.010 177.300 0.031 0.000 1.227 365 P CA -0.103 63.028 63.100 0.052 0.000 0.781 365 P CB 1.235 32.962 31.700 0.045 0.000 0.906 366 A N 2.804 125.642 122.820 0.031 0.000 1.997 366 A HA 0.196 4.516 4.320 0.000 0.000 0.212 366 A C 1.046 178.639 177.584 0.016 0.000 1.178 366 A CA 1.354 53.402 52.037 0.019 0.000 0.698 366 A CB -0.469 18.541 19.000 0.017 0.000 0.842 366 A HN 0.671 nan 8.150 nan 0.000 0.458 367 T N -5.506 109.061 114.554 0.021 0.000 2.865 367 T HA 0.451 4.801 4.350 0.000 0.000 0.294 367 T C 0.751 175.460 174.700 0.015 0.000 1.119 367 T CA 0.110 62.220 62.100 0.016 0.000 1.007 367 T CB 1.238 70.117 68.868 0.018 0.000 1.225 367 T HN 0.020 nan 8.240 nan 0.000 0.515 368 V N 1.186 121.104 119.914 0.007 0.000 2.392 368 V HA -0.137 3.983 4.120 0.000 0.000 0.249 368 V C 2.353 178.450 176.094 0.005 0.000 1.059 368 V CA 2.155 64.456 62.300 0.001 0.000 1.051 368 V CB -0.763 31.058 31.823 -0.004 0.000 0.658 368 V HN 0.885 nan 8.190 nan 0.000 0.455 369 D N -0.094 120.315 120.400 0.014 0.000 2.178 369 D HA -0.160 4.480 4.640 0.000 0.000 0.201 369 D C 1.884 178.206 176.300 0.037 0.000 0.980 369 D CA 1.292 55.306 54.000 0.022 0.000 0.842 369 D CB -0.249 40.568 40.800 0.028 0.000 0.948 369 D HN 0.443 nan 8.370 nan 0.000 0.472 370 D N 0.280 120.711 120.400 0.052 0.000 2.097 370 D HA -0.109 4.531 4.640 0.000 0.000 0.195 370 D C 2.351 178.677 176.300 0.042 0.000 0.989 370 D CA 0.460 54.516 54.000 0.093 0.000 0.827 370 D CB -0.279 40.581 40.800 0.099 0.000 0.966 370 D HN 0.078 nan 8.370 nan 0.000 0.456 371 V N 1.239 121.154 119.914 0.002 0.000 2.287 371 V HA -0.234 3.886 4.120 0.000 0.000 0.248 371 V C 2.690 178.725 176.094 -0.098 0.000 1.053 371 V CA 1.221 63.491 62.300 -0.050 0.000 1.027 371 V CB -0.538 31.267 31.823 -0.030 0.000 0.646 371 V HN 0.196 nan 8.190 nan 0.000 0.447 372 L N -0.228 120.961 121.223 -0.058 0.000 2.046 372 L HA -0.189 4.151 4.340 0.000 0.000 0.208 372 L C 2.404 179.222 176.870 -0.086 0.000 1.077 372 L CA 1.558 56.362 54.840 -0.060 0.000 0.747 372 L CB -0.821 41.224 42.059 -0.023 0.000 0.896 372 L HN 0.339 nan 8.230 nan 0.000 0.432 373 D N 0.322 120.681 120.400 -0.067 0.000 2.123 373 D HA -0.175 4.465 4.640 0.000 0.000 0.196 373 D C 2.236 178.285 176.300 -0.418 0.000 0.992 373 D CA 1.567 55.534 54.000 -0.055 0.000 0.833 373 D CB -0.073 40.827 40.800 0.167 0.000 0.954 373 D HN 0.332 nan 8.370 nan 0.000 0.455 374 A N 0.804 123.134 122.820 -0.817 0.000 1.902 374 A HA -0.230 4.090 4.320 0.000 0.000 0.217 374 A C 2.143 179.330 177.584 -0.662 0.000 1.181 374 A CA 1.489 52.643 52.037 -1.473 0.000 0.623 374 A CB -0.644 17.735 19.000 -1.035 0.000 0.818 374 A HN 0.222 nan 8.150 nan 0.000 0.443 375 Q N -0.995 118.601 119.800 -0.340 0.000 2.084 375 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 375 Q C 2.353 178.291 176.000 -0.104 0.000 0.978 375 Q CA 1.611 57.314 55.803 -0.168 0.000 0.844 375 Q CB -0.212 28.459 28.738 -0.112 0.000 0.898 375 Q HN 0.692 nan 8.270 nan 0.000 0.426 376 R N 0.016 120.464 120.500 -0.087 0.000 2.083 376 R HA -0.211 4.129 4.340 0.000 0.000 0.237 376 R C 1.933 178.252 176.300 0.033 0.000 1.137 376 R CA 1.801 57.890 56.100 -0.018 0.000 0.951 376 R CB -0.398 29.911 30.300 0.015 0.000 0.851 376 R HN 0.400 nan 8.270 nan 0.000 0.434 377 W N 0.670 121.885 121.300 -0.141 0.000 2.355 377 W HA -0.185 4.475 4.660 -0.000 0.000 0.309 377 W C 2.076 178.558 176.519 -0.062 0.000 1.206 377 W CA 2.164 59.490 57.345 -0.032 0.000 1.284 377 W CB -0.322 29.202 29.460 0.106 0.000 1.145 377 W HN 0.251 nan 8.180 nan 0.000 0.502 378 A N 0.530 123.476 122.820 0.210 0.000 1.902 378 A HA -0.164 4.156 4.320 0.000 0.000 0.217 378 A C 2.038 179.562 177.584 -0.099 0.000 1.181 378 A CA 1.667 53.757 52.037 0.087 0.000 0.623 378 A CB -0.789 18.267 19.000 0.093 0.000 0.818 378 A HN 0.368 nan 8.150 nan 0.000 0.443 379 R N -0.788 119.660 120.500 -0.088 0.000 2.070 379 R HA -0.142 4.198 4.340 0.000 0.000 0.233 379 R C 2.320 178.539 176.300 -0.135 0.000 1.137 379 R CA 1.437 57.478 56.100 -0.099 0.000 0.945 379 R CB -0.345 29.912 30.300 -0.071 0.000 0.845 379 R HN 0.602 nan 8.270 nan 0.000 0.430 380 E N 0.773 120.877 120.200 -0.160 0.000 2.085 380 E HA -0.240 4.110 4.350 0.000 0.000 0.194 380 E C 1.975 178.413 176.600 -0.269 0.000 0.994 380 E CA 1.372 57.658 56.400 -0.190 0.000 0.801 380 E CB 0.019 29.607 29.700 -0.187 0.000 0.743 380 E HN 0.028 nan 8.360 nan 0.000 0.453 381 R N 0.408 120.651 120.500 -0.428 0.000 2.073 381 R HA -0.056 4.284 4.340 0.000 0.000 0.234 381 R C 2.249 178.388 176.300 -0.268 0.000 1.134 381 R CA 1.816 57.625 56.100 -0.485 0.000 0.952 381 R CB -0.778 29.015 30.300 -0.844 0.000 0.850 381 R HN 0.176 nan 8.270 nan 0.000 0.433 382 A N 0.076 122.771 122.820 -0.208 0.000 1.933 382 A HA -0.207 4.113 4.320 0.000 0.000 0.218 382 A C 2.061 179.577 177.584 -0.114 0.000 1.175 382 A CA 1.568 53.522 52.037 -0.139 0.000 0.628 382 A CB -0.477 18.451 19.000 -0.118 0.000 0.814 382 A HN 0.514 nan 8.150 nan 0.000 0.444 383 Q N -0.675 119.055 119.800 -0.117 0.000 2.084 383 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 383 Q C 2.385 178.333 176.000 -0.086 0.000 0.978 383 Q CA 1.486 57.235 55.803 -0.090 0.000 0.844 383 Q CB -0.182 28.505 28.738 -0.086 0.000 0.898 383 Q HN 0.578 nan 8.270 nan 0.000 0.426 384 R N 0.113 120.549 120.500 -0.107 0.000 2.081 384 R HA -0.086 4.254 4.340 0.000 0.000 0.235 384 R C 2.274 178.529 176.300 -0.076 0.000 1.131 384 R CA 1.160 57.205 56.100 -0.092 0.000 0.960 384 R CB -0.477 29.756 30.300 -0.112 0.000 0.856 384 R HN 0.222 nan 8.270 nan 0.000 0.436 385 A N 0.913 123.681 122.820 -0.087 0.000 1.908 385 A HA -0.122 4.198 4.320 0.000 0.000 0.218 385 A C 2.430 179.982 177.584 -0.054 0.000 1.181 385 A CA 1.511 53.507 52.037 -0.069 0.000 0.627 385 A CB -0.544 18.408 19.000 -0.080 0.000 0.818 385 A HN 0.113 nan 8.150 nan 0.000 0.445 386 V N 0.706 120.587 119.914 -0.055 0.000 2.358 386 V HA -0.200 3.920 4.120 0.000 0.000 0.246 386 V C 2.957 179.032 176.094 -0.031 0.000 1.047 386 V CA 2.345 64.622 62.300 -0.039 0.000 1.035 386 V CB -0.665 31.136 31.823 -0.036 0.000 0.658 386 V HN 0.816 nan 8.190 nan 0.000 0.452 387 S N -0.261 115.417 115.700 -0.036 0.000 2.446 387 S HA 0.186 4.656 4.470 0.000 0.000 0.225 387 S C 1.697 176.281 174.600 -0.026 0.000 1.016 387 S CA 0.953 59.135 58.200 -0.030 0.000 0.943 387 S CB 0.475 63.655 63.200 -0.034 0.000 0.786 387 S HN 1.240 nan 8.310 nan 0.000 0.508 388 G N 0.858 109.640 108.800 -0.030 0.000 2.141 388 G HA2 -0.199 3.761 3.960 0.000 0.000 0.231 388 G HA3 -0.199 3.761 3.960 0.000 0.000 0.231 388 G C -0.033 174.851 174.900 -0.026 0.000 0.984 388 G CA 0.323 45.407 45.100 -0.026 0.000 0.660 388 G HN 0.494 nan 8.290 nan 0.000 0.525 389 M N 0.000 119.580 119.600 -0.034 0.000 2.572 389 M HA 0.000 4.480 4.480 0.000 0.000 0.227 389 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 389 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411