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 1vb3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLYNLKDHN EQVSFAQAVT QGLGKNQGLF FPHDLPEFSL TEIDEMLKLD DATA SEQUENCE FVTRSAKILS AFIGDEIPQE ILEERVRAAF AFPAPVANVE SDVGCLELFH DATA SEQUENCE GPTLAFKDFG GRFMAQMLTH IAGDKPVTIL TATSGDTGAA VAHAFYGLPN DATA SEQUENCE VKVVILYPRG KISPLQEKLF CTLGGNIETV AIDGDFDACQ ALVKQAFDDE DATA SEQUENCE ELKVALGLNS ANSINISRLL AQICYYFEAV AQLPQETRNQ LVVSVPSGNF DATA SEQUENCE GDLTAGLLAK SLGLPVKRFI AATNVNDTVP RFLHDGQWSP KATQATLSNA DATA SEQUENCE MDVSQPNNWP RVEELFRRKI WQLKELGYAA VDDETTQQTM RELKELGYTS DATA SEQUENCE EPHAAVAYRA LRDQLNPGEY GLFLGTAHPA KFKESVEAIL GETLDLPKEL DATA SEQUENCE AERADLPLLS HNLPADFAAL RKLMMNHQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.333 176.300 0.054 0.000 1.140 1 M CA 0.000 55.332 55.300 0.053 0.000 0.988 1 M CB 0.000 32.655 32.600 0.092 0.000 1.302 2 K N 3.339 123.772 120.400 0.055 0.000 2.378 2 K HA 0.765 5.086 4.320 0.001 0.000 0.252 2 K C -1.646 175.023 176.600 0.116 0.000 0.931 2 K CA -0.875 55.439 56.287 0.046 0.000 0.794 2 K CB 2.399 34.872 32.500 -0.045 0.000 1.181 2 K HN 0.501 nan 8.250 nan 0.000 0.425 3 L N 2.315 123.568 121.223 0.050 0.000 2.350 3 L HA 0.573 4.914 4.340 0.001 0.000 0.260 3 L C -0.700 176.223 176.870 0.089 0.000 1.015 3 L CA -1.020 53.811 54.840 -0.015 0.000 0.821 3 L CB 1.211 43.143 42.059 -0.211 0.000 1.370 3 L HN 0.669 nan 8.230 nan 0.000 0.416 4 Y N -1.017 119.396 120.300 0.188 0.000 2.553 4 Y HA 0.535 5.085 4.550 0.001 0.000 0.347 4 Y C -0.399 175.683 175.900 0.303 0.000 1.019 4 Y CA -1.379 56.847 58.100 0.210 0.000 1.032 4 Y CB 1.005 39.583 38.460 0.196 0.000 1.284 4 Y HN 0.559 nan 8.280 nan 0.000 0.466 5 N N 2.624 121.627 118.700 0.505 0.000 2.430 5 N HA 0.142 4.883 4.740 0.001 0.000 0.265 5 N C 0.641 176.246 175.510 0.159 0.000 1.100 5 N CA 0.029 53.261 53.050 0.304 0.000 0.961 5 N CB 0.990 39.592 38.487 0.191 0.000 1.075 5 N HN 1.004 nan 8.380 nan 0.000 0.478 6 L N 3.212 124.476 121.223 0.069 0.000 2.261 6 L HA -0.162 4.179 4.340 0.001 0.000 0.216 6 L C 1.777 178.565 176.870 -0.137 0.000 1.114 6 L CA 1.213 56.023 54.840 -0.051 0.000 0.777 6 L CB -0.097 41.922 42.059 -0.067 0.000 0.910 6 L HN 0.516 nan 8.230 nan 0.000 0.440 7 K N -1.259 119.090 120.400 -0.085 0.000 2.379 7 K HA 0.031 4.351 4.320 0.001 0.000 0.194 7 K C 0.106 176.677 176.600 -0.048 0.000 1.031 7 K CA 0.219 56.462 56.287 -0.073 0.000 1.037 7 K CB 0.422 32.883 32.500 -0.065 0.000 0.824 7 K HN 0.041 nan 8.250 nan 0.000 0.516 8 D N -0.055 120.321 120.400 -0.040 0.000 2.337 8 D HA 0.039 4.679 4.640 0.001 0.000 0.238 8 D C 0.231 176.549 176.300 0.030 0.000 1.331 8 D CA -0.227 53.780 54.000 0.011 0.000 0.967 8 D CB 0.344 41.173 40.800 0.049 0.000 1.382 8 D HN 0.054 nan 8.370 nan 0.000 0.549 9 H N 1.598 120.666 119.070 -0.002 0.000 2.518 9 H HA -0.032 4.525 4.556 0.001 0.000 0.292 9 H C 1.052 176.379 175.328 -0.001 0.000 1.068 9 H CA 0.856 56.841 56.048 -0.105 0.000 1.275 9 H CB 0.554 30.157 29.762 -0.266 0.000 1.375 9 H HN 0.409 nan 8.280 nan 0.000 0.563 10 N N 0.931 119.713 118.700 0.135 0.000 2.415 10 N HA -0.079 4.661 4.740 0.001 0.000 0.176 10 N C 0.659 176.244 175.510 0.126 0.000 1.042 10 N CA 0.120 53.238 53.050 0.113 0.000 0.902 10 N CB 0.414 38.946 38.487 0.076 0.000 0.986 10 N HN 0.488 nan 8.380 nan 0.000 0.447 11 E N 1.997 122.284 120.200 0.145 0.000 2.070 11 E HA 0.050 4.400 4.350 0.001 0.000 0.282 11 E C -0.768 175.951 176.600 0.199 0.000 1.104 11 E CA -0.067 56.429 56.400 0.160 0.000 0.876 11 E CB 0.246 30.052 29.700 0.177 0.000 1.055 11 E HN 0.159 nan 8.360 nan 0.000 0.401 12 Q N 2.307 122.190 119.800 0.137 0.000 2.387 12 Q HA 0.617 4.958 4.340 0.001 0.000 0.273 12 Q C -0.856 175.132 176.000 -0.020 0.000 1.089 12 Q CA -1.150 54.715 55.803 0.102 0.000 0.824 12 Q CB 2.619 31.439 28.738 0.136 0.000 1.367 12 Q HN 0.473 nan 8.270 nan 0.000 0.443 13 V N -2.283 117.547 119.914 -0.139 0.000 3.147 13 V HA 0.729 4.850 4.120 0.001 0.000 0.306 13 V C -0.196 175.802 176.094 -0.161 0.000 1.209 13 V CA -0.948 61.232 62.300 -0.201 0.000 1.023 13 V CB 1.580 33.159 31.823 -0.407 0.000 1.059 13 V HN 0.939 nan 8.190 nan 0.000 0.435 14 S N 1.441 117.084 115.700 -0.096 0.000 2.661 14 S HA 0.459 4.930 4.470 0.001 0.000 0.265 14 S C 0.741 175.343 174.600 0.003 0.000 1.225 14 S CA 0.323 58.514 58.200 -0.016 0.000 0.986 14 S CB 0.553 63.763 63.200 0.016 0.000 1.008 14 S HN 1.237 nan 8.310 nan 0.000 0.565 15 F N 1.305 121.224 119.950 -0.051 0.000 2.146 15 F HA 0.069 4.597 4.527 0.002 0.000 0.298 15 F C 2.466 178.255 175.800 -0.019 0.000 1.096 15 F CA 1.415 59.397 58.000 -0.029 0.000 1.275 15 F CB -1.127 37.882 39.000 0.015 0.000 1.008 15 F HN 0.699 nan 8.300 nan 0.000 0.480 16 A N 0.087 122.899 122.820 -0.013 0.000 1.908 16 A HA -0.246 4.075 4.320 0.001 0.000 0.218 16 A C 2.152 179.654 177.584 -0.137 0.000 1.181 16 A CA 1.961 53.941 52.037 -0.096 0.000 0.627 16 A CB -0.868 18.139 19.000 0.012 0.000 0.818 16 A HN 0.606 nan 8.150 nan 0.000 0.445 17 Q N -0.805 118.933 119.800 -0.104 0.000 2.079 17 Q HA -0.024 4.316 4.340 0.001 0.000 0.200 17 Q C 2.433 178.370 176.000 -0.105 0.000 0.974 17 Q CA 1.171 56.921 55.803 -0.088 0.000 0.840 17 Q CB -0.363 28.324 28.738 -0.086 0.000 0.898 17 Q HN 0.676 nan 8.270 nan 0.000 0.430 18 A N 0.517 123.211 122.820 -0.210 0.000 1.902 18 A HA -0.135 4.185 4.320 0.001 0.000 0.217 18 A C 2.326 179.873 177.584 -0.062 0.000 1.181 18 A CA 1.292 53.234 52.037 -0.157 0.000 0.623 18 A CB -0.657 18.191 19.000 -0.252 0.000 0.818 18 A HN 0.207 nan 8.150 nan 0.000 0.443 19 V N 0.478 120.233 119.914 -0.266 0.000 2.427 19 V HA -0.197 3.924 4.120 0.001 0.000 0.248 19 V C 2.837 178.881 176.094 -0.083 0.000 1.051 19 V CA 2.341 64.488 62.300 -0.255 0.000 1.048 19 V CB -1.097 30.432 31.823 -0.490 0.000 0.666 19 V HN 0.851 nan 8.190 nan 0.000 0.456 20 T N -3.222 111.299 114.554 -0.055 0.000 3.057 20 T HA -0.058 4.292 4.350 0.001 0.000 0.254 20 T C 1.651 176.394 174.700 0.071 0.000 1.094 20 T CA 0.863 62.966 62.100 0.005 0.000 1.088 20 T CB 0.215 69.078 68.868 -0.009 0.000 0.934 20 T HN 0.460 nan 8.240 nan 0.000 0.497 21 Q N 0.523 120.392 119.800 0.115 0.000 2.349 21 Q HA 0.308 4.648 4.340 0.001 0.000 0.209 21 Q C 1.940 178.101 176.000 0.267 0.000 0.920 21 Q CA 0.879 56.806 55.803 0.208 0.000 0.901 21 Q CB -0.196 28.695 28.738 0.256 0.000 1.021 21 Q HN 0.666 nan 8.270 nan 0.000 0.519 22 G N 1.088 110.014 108.800 0.209 0.000 5.206 22 G HA2 -0.345 3.616 3.960 0.001 0.000 0.328 22 G HA3 -0.345 3.616 3.960 0.001 0.000 0.328 22 G C 0.013 174.839 174.900 -0.122 0.000 1.382 22 G CA 0.432 45.586 45.100 0.089 0.000 0.994 22 G HN 0.332 nan 8.290 nan 0.000 0.800 23 L N 1.918 122.916 121.223 -0.375 0.000 2.343 23 L HA 0.658 4.998 4.340 0.001 0.000 0.275 23 L C 1.423 177.940 176.870 -0.589 0.000 1.056 23 L CA -0.262 54.190 54.840 -0.647 0.000 0.804 23 L CB 1.540 43.049 42.059 -0.918 0.000 1.203 23 L HN 0.674 nan 8.230 nan 0.000 0.440 24 G N 1.498 109.725 108.800 -0.955 0.000 2.557 24 G HA2 0.298 4.259 3.960 0.001 0.000 0.292 24 G HA3 0.298 4.259 3.960 0.001 0.000 0.292 24 G C -0.558 174.207 174.900 -0.225 0.000 1.237 24 G CA -0.689 44.025 45.100 -0.644 0.000 0.978 24 G HN 0.527 nan 8.290 nan 0.000 0.498 25 K N -0.068 120.300 120.400 -0.054 0.000 2.440 25 K HA 0.005 4.325 4.320 0.001 0.000 0.270 25 K C 0.170 176.734 176.600 -0.061 0.000 0.980 25 K CA 0.481 56.756 56.287 -0.020 0.000 0.953 25 K CB 0.143 32.658 32.500 0.025 0.000 0.925 25 K HN 0.498 nan 8.250 nan 0.000 0.497 26 N N 1.894 120.568 118.700 -0.043 0.000 2.708 26 N HA -0.228 4.513 4.740 0.001 0.000 0.249 26 N C -1.063 174.393 175.510 -0.090 0.000 1.097 26 N CA 1.221 54.238 53.050 -0.056 0.000 0.710 26 N CB -1.326 37.133 38.487 -0.047 0.000 1.032 26 N HN 0.700 nan 8.380 nan 0.000 0.551 27 Q N -3.583 116.147 119.800 -0.117 0.000 2.475 27 Q HA -0.195 4.146 4.340 0.001 0.000 0.280 27 Q C 0.487 176.367 176.000 -0.200 0.000 1.234 27 Q CA 0.970 56.670 55.803 -0.171 0.000 0.873 27 Q CB -1.926 26.736 28.738 -0.126 0.000 1.256 27 Q HN 0.644 nan 8.270 nan 0.000 0.475 28 G N 0.387 109.052 108.800 -0.225 0.000 2.377 28 G HA2 0.583 4.544 3.960 0.001 0.000 0.299 28 G HA3 0.583 4.544 3.960 0.001 0.000 0.299 28 G C -0.023 174.672 174.900 -0.341 0.000 1.150 28 G CA -0.733 44.234 45.100 -0.220 0.000 0.847 28 G HN 0.124 nan 8.290 nan 0.000 0.501 29 L N 1.143 122.223 121.223 -0.240 0.000 2.371 29 L HA 0.341 4.682 4.340 0.001 0.000 0.272 29 L C 0.007 176.788 176.870 -0.147 0.000 1.124 29 L CA -0.455 54.246 54.840 -0.231 0.000 0.816 29 L CB 0.903 42.914 42.059 -0.080 0.000 1.129 29 L HN 0.402 nan 8.230 nan 0.000 0.448 30 F N 1.864 121.793 119.950 -0.035 0.000 2.399 30 F HA 0.287 4.814 4.527 0.001 0.000 0.342 30 F C 0.010 175.769 175.800 -0.069 0.000 1.106 30 F CA -0.289 57.678 58.000 -0.053 0.000 1.196 30 F CB 1.000 39.970 39.000 -0.050 0.000 1.163 30 F HN 0.256 nan 8.300 nan 0.000 0.547 31 F N 4.580 124.407 119.950 -0.205 0.000 2.540 31 F HA 0.481 5.009 4.527 0.001 0.000 0.317 31 F C -2.554 172.938 175.800 -0.515 0.000 1.104 31 F CA -3.011 54.745 58.000 -0.406 0.000 0.913 31 F CB 1.742 40.394 39.000 -0.580 0.000 1.170 31 F HN 0.157 nan 8.300 nan 0.000 0.450 32 P HA -0.041 nan 4.420 nan 0.000 0.261 32 P C 0.287 177.590 177.300 0.006 0.000 1.183 32 P CA 0.598 63.542 63.100 -0.260 0.000 0.761 32 P CB 0.228 31.783 31.700 -0.242 0.000 0.785 33 H N 3.157 122.288 119.070 0.102 0.000 2.389 33 H HA -0.042 4.514 4.556 0.001 0.000 0.299 33 H C -0.178 175.308 175.328 0.264 0.000 1.081 33 H CA 1.396 57.659 56.048 0.359 0.000 1.345 33 H CB 0.442 30.378 29.762 0.291 0.000 1.393 33 H HN 0.380 nan 8.280 nan 0.000 0.520 34 D N 0.585 121.180 120.400 0.326 0.000 2.362 34 D HA 0.255 4.895 4.640 0.001 0.000 0.247 34 D C -0.237 176.103 176.300 0.067 0.000 1.050 34 D CA -0.475 53.635 54.000 0.184 0.000 0.839 34 D CB 2.480 43.343 40.800 0.105 0.000 1.283 34 D HN 0.151 nan 8.370 nan 0.000 0.477 35 L N 3.636 124.869 121.223 0.016 0.000 2.360 35 L HA 0.263 4.603 4.340 0.001 0.000 0.265 35 L C -1.921 174.838 176.870 -0.185 0.000 1.066 35 L CA -1.549 53.267 54.840 -0.041 0.000 0.929 35 L CB 0.671 42.739 42.059 0.015 0.000 1.306 35 L HN 0.066 nan 8.230 nan 0.000 0.434 36 P HA 0.001 nan 4.420 nan 0.000 0.267 36 P C -0.584 176.489 177.300 -0.379 0.000 1.201 36 P CA 0.075 62.881 63.100 -0.491 0.000 0.775 36 P CB 1.236 32.443 31.700 -0.821 0.000 0.854 37 E N 1.568 121.564 120.200 -0.341 0.000 2.316 37 E HA 0.266 4.617 4.350 0.001 0.000 0.254 37 E C -0.613 175.882 176.600 -0.174 0.000 0.902 37 E CA -0.558 55.736 56.400 -0.176 0.000 0.801 37 E CB 0.757 30.412 29.700 -0.075 0.000 1.270 37 E HN 0.334 nan 8.360 nan 0.000 0.414 38 F N 1.186 121.140 119.950 0.007 0.000 2.444 38 F HA 0.055 4.583 4.527 0.001 0.000 0.331 38 F C 1.672 177.490 175.800 0.031 0.000 1.167 38 F CA -0.050 57.962 58.000 0.020 0.000 1.262 38 F CB 0.731 39.769 39.000 0.063 0.000 1.196 38 F HN 0.241 nan 8.300 nan 0.000 0.583 39 S N 1.713 117.561 115.700 0.247 0.000 2.652 39 S HA 0.296 4.767 4.470 0.001 0.000 0.270 39 S C 0.878 175.556 174.600 0.131 0.000 1.243 39 S CA -0.899 57.385 58.200 0.140 0.000 0.999 39 S CB 1.037 64.294 63.200 0.096 0.000 0.973 39 S HN 0.516 nan 8.310 nan 0.000 0.544 40 L N 0.519 121.794 121.223 0.087 0.000 2.127 40 L HA 0.004 4.345 4.340 0.001 0.000 0.211 40 L C 2.296 179.197 176.870 0.051 0.000 1.089 40 L CA 1.736 56.615 54.840 0.064 0.000 0.757 40 L CB -2.502 39.583 42.059 0.043 0.000 0.899 40 L HN 0.748 nan 8.230 nan 0.000 0.434 41 T N -0.277 114.307 114.554 0.050 0.000 2.770 41 T HA -0.103 4.248 4.350 0.001 0.000 0.263 41 T C 1.770 176.490 174.700 0.034 0.000 1.039 41 T CA 1.580 63.702 62.100 0.036 0.000 1.142 41 T CB -0.205 68.683 68.868 0.033 0.000 0.868 41 T HN 0.501 nan 8.240 nan 0.000 0.435 42 E N 0.815 121.049 120.200 0.057 0.000 2.051 42 E HA -0.074 4.277 4.350 0.001 0.000 0.192 42 E C 2.197 178.775 176.600 -0.038 0.000 0.991 42 E CA 1.012 57.431 56.400 0.032 0.000 0.799 42 E CB -0.351 29.434 29.700 0.141 0.000 0.748 42 E HN 0.447 nan 8.360 nan 0.000 0.449 43 I N 1.594 122.172 120.570 0.015 0.000 2.151 43 I HA -0.289 3.881 4.170 0.001 0.000 0.243 43 I C 2.412 178.540 176.117 0.018 0.000 1.080 43 I CA 1.296 62.611 61.300 0.025 0.000 1.339 43 I CB -0.293 37.761 38.000 0.090 0.000 1.039 43 I HN 0.092 nan 8.210 nan 0.000 0.409 44 D N 0.861 121.270 120.400 0.015 0.000 2.149 44 D HA -0.202 4.439 4.640 0.001 0.000 0.198 44 D C 2.058 178.358 176.300 0.000 0.000 0.990 44 D CA 1.529 55.533 54.000 0.007 0.000 0.839 44 D CB 0.047 40.851 40.800 0.007 0.000 0.948 44 D HN 0.397 nan 8.370 nan 0.000 0.460 45 E N -0.768 119.426 120.200 -0.009 0.000 2.076 45 E HA -0.063 4.288 4.350 0.001 0.000 0.190 45 E C 2.384 178.967 176.600 -0.028 0.000 0.979 45 E CA 0.497 56.887 56.400 -0.017 0.000 0.807 45 E CB -0.056 29.632 29.700 -0.019 0.000 0.761 45 E HN 0.362 nan 8.360 nan 0.000 0.454 46 M N 0.630 120.195 119.600 -0.059 0.000 2.149 46 M HA -0.165 4.315 4.480 0.001 0.000 0.261 46 M C 2.190 178.494 176.300 0.007 0.000 1.064 46 M CA 1.320 56.574 55.300 -0.077 0.000 1.102 46 M CB -0.353 32.133 32.600 -0.190 0.000 1.369 46 M HN 0.132 nan 8.290 nan 0.000 0.408 47 L N -0.133 121.118 121.223 0.046 0.000 2.353 47 L HA -0.177 4.163 4.340 0.001 0.000 0.220 47 L C 2.050 178.945 176.870 0.041 0.000 1.133 47 L CA 1.041 55.923 54.840 0.071 0.000 0.798 47 L CB -0.565 41.525 42.059 0.053 0.000 0.922 47 L HN 0.312 nan 8.230 nan 0.000 0.445 48 K N -0.240 120.172 120.400 0.020 0.000 2.361 48 K HA 0.163 4.483 4.320 0.001 0.000 0.196 48 K C 0.588 177.199 176.600 0.018 0.000 1.039 48 K CA 0.056 56.352 56.287 0.014 0.000 1.001 48 K CB 0.270 32.772 32.500 0.003 0.000 0.795 48 K HN 0.207 nan 8.250 nan 0.000 0.495 49 L N 2.533 123.768 121.223 0.019 0.000 2.453 49 L HA 0.038 4.378 4.340 0.001 0.000 0.261 49 L C 0.383 177.285 176.870 0.053 0.000 1.179 49 L CA -0.779 54.073 54.840 0.020 0.000 0.813 49 L CB 0.216 42.273 42.059 -0.003 0.000 1.110 49 L HN 0.209 nan 8.230 nan 0.000 0.466 50 D N -0.089 120.345 120.400 0.056 0.000 2.362 50 D HA -0.136 4.505 4.640 0.001 0.000 0.238 50 D C 0.839 177.241 176.300 0.169 0.000 1.212 50 D CA -0.198 53.862 54.000 0.100 0.000 0.902 50 D CB 0.443 41.290 40.800 0.079 0.000 1.180 50 D HN 0.375 nan 8.370 nan 0.000 0.445 51 F N 1.272 121.246 119.950 0.041 0.000 2.043 51 F HA -0.258 4.269 4.527 0.001 0.000 0.297 51 F C 2.050 177.908 175.800 0.097 0.000 1.121 51 F CA 1.496 59.543 58.000 0.078 0.000 1.199 51 F CB -0.712 38.348 39.000 0.099 0.000 0.968 51 F HN 0.197 nan 8.300 nan 0.000 0.478 52 V N -0.066 119.831 119.914 -0.030 0.000 2.255 52 V HA -0.371 3.750 4.120 0.001 0.000 0.247 52 V C 2.372 178.363 176.094 -0.173 0.000 1.051 52 V CA 2.591 64.778 62.300 -0.188 0.000 1.018 52 V CB -1.367 30.400 31.823 -0.093 0.000 0.641 52 V HN 0.432 nan 8.190 nan 0.000 0.445 53 T N -0.528 113.975 114.554 -0.084 0.000 2.788 53 T HA -0.234 4.117 4.350 0.001 0.000 0.268 53 T C 2.032 176.671 174.700 -0.102 0.000 1.044 53 T CA 1.753 63.803 62.100 -0.083 0.000 1.139 53 T CB -0.284 68.557 68.868 -0.044 0.000 0.867 53 T HN 0.384 nan 8.240 nan 0.000 0.454 54 R N 0.875 121.329 120.500 -0.077 0.000 2.073 54 R HA -0.088 4.253 4.340 0.001 0.000 0.234 54 R C 2.625 178.815 176.300 -0.182 0.000 1.134 54 R CA 1.663 57.702 56.100 -0.102 0.000 0.952 54 R CB -0.368 29.930 30.300 -0.003 0.000 0.850 54 R HN 0.266 nan 8.270 nan 0.000 0.433 55 S N 0.630 116.212 115.700 -0.198 0.000 2.370 55 S HA -0.181 4.290 4.470 0.001 0.000 0.226 55 S C 2.013 176.451 174.600 -0.271 0.000 1.033 55 S CA 1.267 59.314 58.200 -0.254 0.000 1.011 55 S CB -0.303 62.699 63.200 -0.330 0.000 0.852 55 S HN 0.570 nan 8.310 nan 0.000 0.457 56 A N 1.925 124.596 122.820 -0.248 0.000 1.883 56 A HA -0.198 4.122 4.320 0.001 0.000 0.217 56 A C 2.080 179.587 177.584 -0.128 0.000 1.186 56 A CA 1.693 53.615 52.037 -0.191 0.000 0.624 56 A CB -0.504 18.403 19.000 -0.155 0.000 0.822 56 A HN 0.475 nan 8.150 nan 0.000 0.444 57 K N -0.484 119.846 120.400 -0.116 0.000 2.002 57 K HA -0.091 4.230 4.320 0.001 0.000 0.209 57 K C 1.881 178.496 176.600 0.025 0.000 1.048 57 K CA 1.620 57.875 56.287 -0.053 0.000 0.930 57 K CB -0.481 31.958 32.500 -0.102 0.000 0.714 57 K HN 0.546 nan 8.250 nan 0.000 0.438 58 I N 1.453 121.971 120.570 -0.087 0.000 2.151 58 I HA -0.338 3.833 4.170 0.001 0.000 0.243 58 I C 2.324 178.518 176.117 0.129 0.000 1.080 58 I CA 1.451 62.752 61.300 0.001 0.000 1.339 58 I CB -0.418 37.400 38.000 -0.303 0.000 1.039 58 I HN 0.140 nan 8.210 nan 0.000 0.409 59 L N -0.335 120.881 121.223 -0.011 0.000 2.056 59 L HA -0.188 4.153 4.340 0.001 0.000 0.207 59 L C 2.734 179.610 176.870 0.010 0.000 1.078 59 L CA 1.305 56.135 54.840 -0.016 0.000 0.749 59 L CB -0.554 41.404 42.059 -0.169 0.000 0.901 59 L HN 0.236 nan 8.230 nan 0.000 0.433 60 S N -0.125 115.563 115.700 -0.019 0.000 2.399 60 S HA -0.172 4.299 4.470 0.001 0.000 0.231 60 S C 2.141 176.713 174.600 -0.046 0.000 1.022 60 S CA 1.106 59.282 58.200 -0.040 0.000 0.983 60 S CB -0.097 63.086 63.200 -0.030 0.000 0.803 60 S HN 0.432 nan 8.310 nan 0.000 0.480 61 A N -0.103 122.700 122.820 -0.029 0.000 1.978 61 A HA 0.009 4.330 4.320 0.001 0.000 0.220 61 A C 1.724 179.093 177.584 -0.358 0.000 1.170 61 A CA 1.526 53.417 52.037 -0.244 0.000 0.636 61 A CB -0.700 18.061 19.000 -0.398 0.000 0.810 61 A HN 0.643 nan 8.150 nan 0.000 0.448 62 F N -0.925 118.926 119.950 -0.165 0.000 2.298 62 F HA 0.189 4.716 4.527 0.001 0.000 0.282 62 F C 2.117 177.793 175.800 -0.208 0.000 1.045 62 F CA 0.551 58.447 58.000 -0.173 0.000 1.280 62 F CB -0.411 38.484 39.000 -0.174 0.000 1.114 62 F HN 0.018 nan 8.300 nan 0.000 0.546 63 I N 0.016 120.520 120.570 -0.111 0.000 2.194 63 I HA -0.202 3.969 4.170 0.001 0.000 0.246 63 I C 1.882 177.933 176.117 -0.110 0.000 1.093 63 I CA 1.344 62.471 61.300 -0.287 0.000 1.355 63 I CB -1.238 36.495 38.000 -0.445 0.000 1.046 63 I HN 0.385 nan 8.210 nan 0.000 0.413 64 G N 1.026 109.774 108.800 -0.086 0.000 2.527 64 G HA2 -0.314 3.647 3.960 0.001 0.000 0.268 64 G HA3 -0.314 3.647 3.960 0.001 0.000 0.268 64 G C 0.445 175.323 174.900 -0.036 0.000 1.175 64 G CA 0.321 45.385 45.100 -0.060 0.000 0.962 64 G HN 0.273 nan 8.290 nan 0.000 0.560 65 D N 1.182 121.570 120.400 -0.020 0.000 2.219 65 D HA -0.011 4.630 4.640 0.001 0.000 0.205 65 D C 2.288 178.598 176.300 0.017 0.000 0.970 65 D CA 1.296 55.293 54.000 -0.005 0.000 0.851 65 D CB -0.192 40.605 40.800 -0.005 0.000 0.943 65 D HN 0.705 nan 8.370 nan 0.000 0.488 66 E N 0.273 120.491 120.200 0.031 0.000 2.114 66 E HA -0.139 4.212 4.350 0.001 0.000 0.199 66 E C 0.661 177.315 176.600 0.091 0.000 1.008 66 E CA 0.762 57.205 56.400 0.072 0.000 0.810 66 E CB 0.236 30.010 29.700 0.123 0.000 0.739 66 E HN 0.350 nan 8.360 nan 0.000 0.456 67 I N 0.643 121.250 120.570 0.062 0.000 2.534 67 I HA 0.233 4.404 4.170 0.001 0.000 0.288 67 I C -2.632 173.493 176.117 0.013 0.000 1.077 67 I CA -2.620 58.722 61.300 0.069 0.000 1.051 67 I CB 2.264 40.308 38.000 0.074 0.000 1.234 67 I HN -0.298 nan 8.210 nan 0.000 0.425 68 P HA 0.019 nan 4.420 nan 0.000 0.267 68 P C 0.421 177.703 177.300 -0.030 0.000 1.205 68 P CA -0.021 63.076 63.100 -0.005 0.000 0.765 68 P CB 0.686 32.390 31.700 0.006 0.000 0.828 69 Q N 2.365 122.146 119.800 -0.033 0.000 2.197 69 Q HA -0.286 4.055 4.340 0.001 0.000 0.207 69 Q C 0.963 176.931 176.000 -0.053 0.000 0.984 69 Q CA 1.852 57.628 55.803 -0.045 0.000 0.869 69 Q CB 0.019 28.736 28.738 -0.036 0.000 0.906 69 Q HN 0.408 nan 8.270 nan 0.000 0.426 70 E N 0.322 120.498 120.200 -0.041 0.000 2.051 70 E HA -0.177 4.174 4.350 0.001 0.000 0.192 70 E C 1.767 178.334 176.600 -0.056 0.000 0.991 70 E CA 1.380 57.756 56.400 -0.041 0.000 0.799 70 E CB -0.193 29.491 29.700 -0.026 0.000 0.748 70 E HN 0.370 nan 8.360 nan 0.000 0.449 71 I N 0.210 120.743 120.570 -0.062 0.000 2.226 71 I HA -0.185 3.986 4.170 0.001 0.000 0.245 71 I C 2.045 178.074 176.117 -0.147 0.000 1.100 71 I CA 0.711 61.951 61.300 -0.100 0.000 1.374 71 I CB -0.409 37.523 38.000 -0.113 0.000 1.057 71 I HN 0.089 nan 8.210 nan 0.000 0.413 72 L N 0.329 121.476 121.223 -0.127 0.000 2.127 72 L HA -0.213 4.128 4.340 0.001 0.000 0.211 72 L C 2.424 179.227 176.870 -0.112 0.000 1.089 72 L CA 1.779 56.554 54.840 -0.109 0.000 0.757 72 L CB -0.693 41.320 42.059 -0.077 0.000 0.899 72 L HN 0.315 nan 8.230 nan 0.000 0.434 73 E N -0.888 119.247 120.200 -0.108 0.000 2.072 73 E HA -0.223 4.127 4.350 0.001 0.000 0.191 73 E C 2.000 178.531 176.600 -0.115 0.000 0.985 73 E CA 1.305 57.634 56.400 -0.117 0.000 0.801 73 E CB 0.006 29.653 29.700 -0.088 0.000 0.750 73 E HN 0.607 nan 8.360 nan 0.000 0.452 74 E N 0.280 120.422 120.200 -0.096 0.000 2.077 74 E HA -0.159 4.192 4.350 0.001 0.000 0.193 74 E C 2.144 178.688 176.600 -0.092 0.000 0.989 74 E CA 0.658 57.010 56.400 -0.081 0.000 0.800 74 E CB 0.078 29.739 29.700 -0.065 0.000 0.746 74 E HN 0.064 nan 8.360 nan 0.000 0.452 75 R N 0.522 120.955 120.500 -0.112 0.000 2.092 75 R HA -0.065 4.276 4.340 0.001 0.000 0.231 75 R C 2.384 178.625 176.300 -0.097 0.000 1.119 75 R CA 0.723 56.761 56.100 -0.103 0.000 0.970 75 R CB -1.024 29.194 30.300 -0.136 0.000 0.864 75 R HN 0.138 nan 8.270 nan 0.000 0.440 76 V N 1.297 121.119 119.914 -0.154 0.000 2.358 76 V HA -0.151 3.970 4.120 0.001 0.000 0.246 76 V C 2.632 178.524 176.094 -0.336 0.000 1.047 76 V CA 1.634 63.712 62.300 -0.370 0.000 1.035 76 V CB -0.550 30.955 31.823 -0.530 0.000 0.658 76 V HN 0.266 nan 8.190 nan 0.000 0.452 77 R N 0.187 120.567 120.500 -0.199 0.000 2.152 77 R HA -0.139 4.202 4.340 0.001 0.000 0.232 77 R C 2.165 178.417 176.300 -0.079 0.000 1.117 77 R CA 1.516 57.544 56.100 -0.120 0.000 0.981 77 R CB -0.277 29.975 30.300 -0.080 0.000 0.870 77 R HN 0.507 nan 8.270 nan 0.000 0.451 78 A N 0.288 123.063 122.820 -0.075 0.000 1.898 78 A HA 0.054 4.375 4.320 0.001 0.000 0.214 78 A C 2.230 179.800 177.584 -0.023 0.000 1.183 78 A CA 1.200 53.214 52.037 -0.038 0.000 0.622 78 A CB -0.496 18.484 19.000 -0.033 0.000 0.824 78 A HN 0.480 nan 8.150 nan 0.000 0.444 79 A N -0.628 122.174 122.820 -0.031 0.000 1.840 79 A HA 0.157 4.478 4.320 0.001 0.000 0.214 79 A C 1.221 178.830 177.584 0.041 0.000 1.198 79 A CA 0.526 52.598 52.037 0.058 0.000 0.608 79 A CB -0.662 18.418 19.000 0.132 0.000 0.839 79 A HN 0.472 nan 8.150 nan 0.000 0.443 80 F N 0.800 120.559 119.950 -0.318 0.000 2.651 80 F HA 0.256 4.784 4.527 0.001 0.000 0.369 80 F C 1.457 176.871 175.800 -0.643 0.000 1.187 80 F CA -0.243 57.381 58.000 -0.626 0.000 1.335 80 F CB 0.001 38.791 39.000 -0.349 0.000 1.707 80 F HN 0.304 nan 8.300 nan 0.000 0.637 81 A N 2.007 124.491 122.820 -0.561 0.000 2.310 81 A HA 0.239 4.560 4.320 0.001 0.000 0.230 81 A C -0.224 177.317 177.584 -0.072 0.000 1.294 81 A CA 0.054 51.979 52.037 -0.187 0.000 0.898 81 A CB -0.967 18.046 19.000 0.021 0.000 0.917 81 A HN 0.539 nan 8.150 nan 0.000 0.491 82 F N -3.314 116.702 119.950 0.110 0.000 2.678 82 F HA 0.717 5.245 4.527 0.001 0.000 0.308 82 F C -3.088 172.797 175.800 0.141 0.000 1.118 82 F CA -3.039 55.011 58.000 0.084 0.000 0.959 82 F CB 0.557 39.563 39.000 0.009 0.000 1.305 82 F HN -0.152 nan 8.300 nan 0.000 0.443 83 P HA 0.527 nan 4.420 nan 0.000 0.279 83 P C -1.115 176.206 177.300 0.035 0.000 1.282 83 P CA -0.499 62.641 63.100 0.067 0.000 0.788 83 P CB 1.637 33.294 31.700 -0.072 0.000 1.139 84 A N 0.444 123.110 122.820 -0.257 0.000 3.317 84 A HA 0.424 4.744 4.320 0.001 0.000 0.307 84 A C -2.456 174.882 177.584 -0.410 0.000 1.003 84 A CA -1.251 50.605 52.037 -0.302 0.000 0.882 84 A CB 0.102 18.860 19.000 -0.404 0.000 1.136 84 A HN 0.357 nan 8.150 nan 0.000 0.488 85 P HA 0.274 nan 4.420 nan 0.000 0.275 85 P C -0.220 176.901 177.300 -0.299 0.000 1.228 85 P CA 0.148 63.038 63.100 -0.350 0.000 0.786 85 P CB 1.636 33.120 31.700 -0.360 0.000 0.927 86 V N 2.578 122.357 119.914 -0.225 0.000 2.407 86 V HA 0.476 4.597 4.120 0.001 0.000 0.278 86 V C 0.670 176.668 176.094 -0.160 0.000 1.037 86 V CA -0.509 61.670 62.300 -0.201 0.000 0.900 86 V CB 0.825 32.560 31.823 -0.146 0.000 0.983 86 V HN 0.734 nan 8.190 nan 0.000 0.459 87 A N 4.256 126.961 122.820 -0.192 0.000 2.288 87 A HA 0.641 4.962 4.320 0.001 0.000 0.320 87 A C -0.060 177.397 177.584 -0.211 0.000 1.217 87 A CA -0.720 51.222 52.037 -0.157 0.000 0.840 87 A CB 0.214 19.155 19.000 -0.098 0.000 1.179 87 A HN 0.844 nan 8.150 nan 0.000 0.504 88 N N 1.908 120.541 118.700 -0.111 0.000 2.416 88 N HA 0.274 5.015 4.740 0.001 0.000 0.265 88 N C 0.909 176.342 175.510 -0.128 0.000 1.195 88 N CA -0.139 52.870 53.050 -0.068 0.000 0.943 88 N CB 1.271 39.755 38.487 -0.005 0.000 1.115 88 N HN 0.334 nan 8.380 nan 0.000 0.481 89 V N 1.803 121.619 119.914 -0.162 0.000 2.436 89 V HA 0.070 4.191 4.120 0.001 0.000 0.240 89 V C 0.781 176.859 176.094 -0.028 0.000 1.040 89 V CA 1.304 63.503 62.300 -0.168 0.000 1.052 89 V CB -0.161 31.566 31.823 -0.160 0.000 0.707 89 V HN 0.623 nan 8.190 nan 0.000 0.469 90 E N -0.652 119.559 120.200 0.018 0.000 2.423 90 E HA 0.305 4.655 4.350 0.001 0.000 0.269 90 E C 0.808 177.450 176.600 0.070 0.000 0.948 90 E CA 0.391 56.820 56.400 0.048 0.000 0.802 90 E CB 1.805 31.550 29.700 0.074 0.000 1.339 90 E HN 0.160 nan 8.360 nan 0.000 0.445 91 S N 0.055 115.798 115.700 0.071 0.000 2.442 91 S HA -0.147 4.323 4.470 0.001 0.000 0.236 91 S C 0.821 175.521 174.600 0.167 0.000 1.007 91 S CA 1.599 59.856 58.200 0.096 0.000 0.965 91 S CB -0.163 63.074 63.200 0.062 0.000 0.773 91 S HN 0.626 nan 8.310 nan 0.000 0.504 92 D N 0.129 120.595 120.400 0.110 0.000 2.571 92 D HA 0.292 4.933 4.640 0.001 0.000 0.239 92 D C -0.322 175.815 176.300 -0.272 0.000 1.267 92 D CA -0.297 53.753 54.000 0.084 0.000 0.823 92 D CB 0.422 41.247 40.800 0.041 0.000 1.056 92 D HN 0.312 nan 8.370 nan 0.000 0.494 93 V N 0.002 119.764 119.914 -0.253 0.000 2.808 93 V HA 0.761 4.882 4.120 0.001 0.000 0.308 93 V C 0.178 176.134 176.094 -0.231 0.000 1.099 93 V CA -0.732 61.363 62.300 -0.342 0.000 0.920 93 V CB 2.031 33.876 31.823 0.037 0.000 1.014 93 V HN 0.280 nan 8.190 nan 0.000 0.425 94 G N 1.094 109.702 108.800 -0.319 0.000 2.519 94 G HA2 0.579 4.539 3.960 0.001 0.000 0.307 94 G HA3 0.579 4.539 3.960 0.001 0.000 0.307 94 G C -1.326 173.319 174.900 -0.426 0.000 1.266 94 G CA -0.608 44.382 45.100 -0.182 0.000 0.970 94 G HN 0.865 nan 8.290 nan 0.000 0.481 95 C N 3.245 122.178 119.300 -0.611 0.000 2.301 95 C HA 0.596 5.056 4.460 0.001 0.000 0.323 95 C C 0.068 174.722 174.990 -0.559 0.000 1.265 95 C CA -0.968 57.454 59.018 -0.993 0.000 1.503 95 C CB -0.309 26.733 27.740 -1.164 0.000 2.195 95 C HN 0.719 nan 8.230 nan 0.000 0.477 96 L N 6.456 127.377 121.223 -0.503 0.000 2.454 96 L HA 0.341 4.682 4.340 0.001 0.000 0.284 96 L C 0.457 177.082 176.870 -0.408 0.000 1.139 96 L CA 0.894 55.495 54.840 -0.398 0.000 0.911 96 L CB -0.259 41.570 42.059 -0.384 0.000 1.262 96 L HN 0.686 nan 8.230 nan 0.000 0.453 97 E N 5.540 125.497 120.200 -0.405 0.000 2.159 97 E HA 0.068 4.419 4.350 0.001 0.000 0.272 97 E C 0.105 176.391 176.600 -0.524 0.000 1.138 97 E CA 0.197 56.255 56.400 -0.571 0.000 0.915 97 E CB 0.455 29.806 29.700 -0.582 0.000 1.028 97 E HN 0.655 nan 8.360 nan 0.000 0.423 98 L N 4.311 125.283 121.223 -0.419 0.000 2.928 98 L HA 0.172 4.513 4.340 0.001 0.000 0.246 98 L C 0.186 177.126 176.870 0.116 0.000 1.239 98 L CA -0.249 54.518 54.840 -0.121 0.000 1.035 98 L CB -0.247 41.669 42.059 -0.238 0.000 1.360 98 L HN 0.536 nan 8.230 nan 0.000 0.529 99 F N -4.038 116.028 119.950 0.194 0.000 2.735 99 F HA 0.355 4.882 4.527 0.001 0.000 0.304 99 F C 0.980 176.742 175.800 -0.063 0.000 1.119 99 F CA -0.824 57.209 58.000 0.056 0.000 1.280 99 F CB -0.901 38.124 39.000 0.042 0.000 0.994 99 F HN -0.021 nan 8.300 nan 0.000 0.520 100 H N 0.682 119.724 119.070 -0.048 0.000 2.538 100 H HA 0.427 4.984 4.556 0.001 0.000 0.286 100 H C 1.305 176.441 175.328 -0.319 0.000 1.035 100 H CA -0.253 55.773 56.048 -0.037 0.000 1.169 100 H CB -0.001 29.768 29.762 0.011 0.000 1.417 100 H HN 0.480 nan 8.280 nan 0.000 0.567 101 G N 0.506 108.927 108.800 -0.631 0.000 2.537 101 G HA2 0.133 4.094 3.960 0.001 0.000 0.297 101 G HA3 0.133 4.094 3.960 0.001 0.000 0.297 101 G C -1.246 173.307 174.900 -0.579 0.000 1.310 101 G CA -1.370 42.900 45.100 -1.384 0.000 1.027 101 G HN 0.011 nan 8.290 nan 0.000 0.505 102 P HA -0.051 nan 4.420 nan 0.000 0.226 102 P C 1.138 178.259 177.300 -0.299 0.000 1.153 102 P CA 1.633 64.597 63.100 -0.227 0.000 0.777 102 P CB 0.223 31.870 31.700 -0.088 0.000 0.794 103 T N -4.425 109.932 114.554 -0.329 0.000 3.145 103 T HA 0.271 4.622 4.350 0.001 0.000 0.281 103 T C 0.611 175.185 174.700 -0.210 0.000 1.003 103 T CA -0.447 61.456 62.100 -0.330 0.000 0.901 103 T CB -0.557 68.108 68.868 -0.339 0.000 1.112 103 T HN -0.221 nan 8.240 nan 0.000 0.535 104 L N 0.074 121.198 121.223 -0.164 0.000 3.843 104 L HA -0.076 4.265 4.340 0.001 0.000 0.411 104 L C 0.441 177.368 176.870 0.095 0.000 1.205 104 L CA 0.891 55.724 54.840 -0.013 0.000 0.945 104 L CB -2.492 39.531 42.059 -0.060 0.000 1.929 104 L HN 0.814 nan 8.230 nan 0.000 0.934 105 A N -1.261 121.580 122.820 0.035 0.000 2.572 105 A HA 0.769 5.089 4.320 0.001 0.000 0.295 105 A C 0.582 178.238 177.584 0.120 0.000 1.072 105 A CA -0.218 51.882 52.037 0.105 0.000 0.691 105 A CB 0.542 19.525 19.000 -0.028 0.000 1.291 105 A HN 0.405 nan 8.150 nan 0.000 0.404 106 F N 0.494 120.515 119.950 0.118 0.000 2.494 106 F HA 0.030 4.558 4.527 0.001 0.000 0.298 106 F C 1.457 177.459 175.800 0.336 0.000 1.106 106 F CA 0.993 59.118 58.000 0.209 0.000 1.452 106 F CB -0.259 38.705 39.000 -0.061 0.000 1.085 106 F HN 0.401 nan 8.300 nan 0.000 0.569 107 K N 0.977 121.115 120.400 -0.438 0.000 2.360 107 K HA -0.134 4.187 4.320 0.001 0.000 0.201 107 K C 1.319 177.955 176.600 0.058 0.000 1.046 107 K CA 0.962 57.081 56.287 -0.279 0.000 0.945 107 K CB -0.635 31.663 32.500 -0.336 0.000 0.750 107 K HN 0.392 nan 8.250 nan 0.000 0.464 108 D N 0.474 120.918 120.400 0.073 0.000 2.104 108 D HA -0.131 4.510 4.640 0.001 0.000 0.194 108 D C 1.855 178.344 176.300 0.314 0.000 0.994 108 D CA 1.004 55.050 54.000 0.075 0.000 0.830 108 D CB -0.232 40.404 40.800 -0.273 0.000 0.959 108 D HN 0.119 nan 8.370 nan 0.000 0.452 109 F N 1.087 121.300 119.950 0.438 0.000 2.046 109 F HA -0.097 4.431 4.527 0.001 0.000 0.297 109 F C 2.721 178.858 175.800 0.561 0.000 1.123 109 F CA 1.574 59.864 58.000 0.483 0.000 1.199 109 F CB -0.982 38.208 39.000 0.316 0.000 0.972 109 F HN 0.012 nan 8.300 nan 0.000 0.474 110 G N -0.719 108.476 108.800 0.657 0.000 2.421 110 G HA2 -0.049 3.911 3.960 0.001 0.000 0.217 110 G HA3 -0.049 3.911 3.960 0.001 0.000 0.217 110 G C 1.966 177.136 174.900 0.450 0.000 1.143 110 G CA 0.726 46.155 45.100 0.547 0.000 0.784 110 G HN 0.543 nan 8.290 nan 0.000 0.541 111 G N 0.802 109.814 108.800 0.353 0.000 2.433 111 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 111 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 111 G C 1.939 176.968 174.900 0.214 0.000 1.186 111 G CA 0.728 45.998 45.100 0.282 0.000 0.779 111 G HN 0.433 nan 8.290 nan 0.000 0.543 112 R N -0.882 119.757 120.500 0.232 0.000 2.092 112 R HA 0.034 4.374 4.340 0.001 0.000 0.231 112 R C 2.305 178.697 176.300 0.154 0.000 1.119 112 R CA 1.045 57.229 56.100 0.141 0.000 0.970 112 R CB -0.517 29.918 30.300 0.226 0.000 0.864 112 R HN 0.387 nan 8.270 nan 0.000 0.440 113 F N 1.625 121.675 119.950 0.167 0.000 2.095 113 F HA -0.198 4.330 4.527 0.001 0.000 0.298 113 F C 2.289 178.149 175.800 0.100 0.000 1.104 113 F CA 1.553 59.617 58.000 0.107 0.000 1.232 113 F CB -0.267 38.846 39.000 0.188 0.000 0.987 113 F HN -0.106 nan 8.300 nan 0.000 0.475 114 M N -0.062 119.573 119.600 0.058 0.000 2.117 114 M HA -0.143 4.337 4.480 0.001 0.000 0.262 114 M C 2.294 178.585 176.300 -0.015 0.000 1.065 114 M CA 1.955 57.258 55.300 0.005 0.000 1.114 114 M CB -0.409 32.344 32.600 0.256 0.000 1.361 114 M HN 0.234 nan 8.290 nan 0.000 0.408 115 A N 0.214 122.937 122.820 -0.161 0.000 1.908 115 A HA -0.229 4.092 4.320 0.001 0.000 0.218 115 A C 1.985 179.452 177.584 -0.195 0.000 1.181 115 A CA 1.710 53.465 52.037 -0.469 0.000 0.627 115 A CB -0.792 17.682 19.000 -0.877 0.000 0.818 115 A HN 0.623 nan 8.150 nan 0.000 0.445 116 Q N -1.134 118.552 119.800 -0.189 0.000 2.050 116 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 116 Q C 2.256 178.174 176.000 -0.136 0.000 0.980 116 Q CA 1.385 57.098 55.803 -0.150 0.000 0.840 116 Q CB -0.484 28.159 28.738 -0.159 0.000 0.898 116 Q HN 0.613 nan 8.270 nan 0.000 0.424 117 M N 0.067 119.505 119.600 -0.269 0.000 2.086 117 M HA -0.134 4.347 4.480 0.001 0.000 0.261 117 M C 2.288 178.577 176.300 -0.018 0.000 1.067 117 M CA 0.972 56.172 55.300 -0.167 0.000 1.116 117 M CB -1.236 31.180 32.600 -0.306 0.000 1.348 117 M HN 0.181 nan 8.290 nan 0.000 0.407 118 L N 0.736 121.953 121.223 -0.009 0.000 2.012 118 L HA -0.199 4.142 4.340 0.001 0.000 0.210 118 L C 2.641 179.545 176.870 0.057 0.000 1.073 118 L CA 2.532 57.403 54.840 0.051 0.000 0.748 118 L CB -1.110 41.049 42.059 0.165 0.000 0.891 118 L HN 0.560 nan 8.230 nan 0.000 0.431 119 T N -4.441 110.150 114.554 0.062 0.000 2.915 119 T HA -0.240 4.111 4.350 0.001 0.000 0.269 119 T C 1.890 176.621 174.700 0.051 0.000 1.071 119 T CA 1.483 63.613 62.100 0.051 0.000 1.132 119 T CB -0.662 68.228 68.868 0.036 0.000 0.878 119 T HN 0.599 nan 8.240 nan 0.000 0.479 120 H N 0.883 119.939 119.070 -0.024 0.000 2.384 120 H HA 0.303 4.860 4.556 0.001 0.000 0.300 120 H C 1.898 177.222 175.328 -0.006 0.000 1.057 120 H CA 1.189 57.227 56.048 -0.017 0.000 1.370 120 H CB -0.293 29.454 29.762 -0.024 0.000 1.417 120 H HN 0.381 nan 8.280 nan 0.000 0.527 121 I N -0.218 120.340 120.570 -0.020 0.000 2.206 121 I HA -0.079 4.091 4.170 0.001 0.000 0.239 121 I C 2.353 178.426 176.117 -0.072 0.000 1.078 121 I CA 1.158 62.421 61.300 -0.062 0.000 1.367 121 I CB -0.257 37.740 38.000 -0.006 0.000 1.078 121 I HN 0.371 nan 8.210 nan 0.000 0.413 122 A N 0.014 122.812 122.820 -0.035 0.000 2.195 122 A HA 0.408 4.729 4.320 0.001 0.000 0.210 122 A C 1.607 179.177 177.584 -0.024 0.000 1.165 122 A CA 0.750 52.772 52.037 -0.026 0.000 0.806 122 A CB -0.540 18.456 19.000 -0.006 0.000 0.847 122 A HN 0.548 nan 8.150 nan 0.000 0.482 123 G N 0.200 108.984 108.800 -0.026 0.000 2.565 123 G HA2 -0.320 3.640 3.960 0.001 0.000 0.295 123 G HA3 -0.320 3.640 3.960 0.001 0.000 0.295 123 G C 0.203 175.105 174.900 0.004 0.000 1.165 123 G CA 0.441 45.529 45.100 -0.019 0.000 0.977 123 G HN 0.323 nan 8.290 nan 0.000 0.546 124 D N 1.614 122.014 120.400 -0.000 0.000 2.427 124 D HA 0.147 4.788 4.640 0.001 0.000 0.224 124 D C 0.968 177.271 176.300 0.005 0.000 1.157 124 D CA 0.022 54.026 54.000 0.007 0.000 0.828 124 D CB 0.245 41.047 40.800 0.002 0.000 0.974 124 D HN 0.466 nan 8.370 nan 0.000 0.498 125 K N 2.285 122.687 120.400 0.003 0.000 2.447 125 K HA 0.095 4.416 4.320 0.001 0.000 0.281 125 K C -2.566 174.035 176.600 0.002 0.000 1.031 125 K CA -1.243 55.043 56.287 -0.001 0.000 1.019 125 K CB 0.658 33.156 32.500 -0.004 0.000 0.918 125 K HN -0.228 nan 8.250 nan 0.000 0.476 126 P HA -0.113 nan 4.420 nan 0.000 0.261 126 P C -1.242 176.051 177.300 -0.011 0.000 1.183 126 P CA -0.001 63.096 63.100 -0.006 0.000 0.761 126 P CB 0.766 32.460 31.700 -0.010 0.000 0.785 127 V N 4.009 123.914 119.914 -0.015 0.000 2.808 127 V HA 0.452 4.573 4.120 0.001 0.000 0.308 127 V C -0.888 175.174 176.094 -0.053 0.000 1.099 127 V CA -0.270 62.010 62.300 -0.033 0.000 0.920 127 V CB 2.648 34.454 31.823 -0.029 0.000 1.014 127 V HN 0.365 nan 8.190 nan 0.000 0.425 128 T N 8.040 122.554 114.554 -0.068 0.000 2.788 128 T HA 0.548 4.898 4.350 0.001 0.000 0.296 128 T C -0.163 174.477 174.700 -0.100 0.000 1.009 128 T CA 0.026 62.082 62.100 -0.075 0.000 0.949 128 T CB 0.443 69.272 68.868 -0.066 0.000 0.946 128 T HN 0.520 nan 8.240 nan 0.000 0.453 129 I N 4.507 124.997 120.570 -0.133 0.000 2.281 129 I HA 0.242 4.413 4.170 0.001 0.000 0.293 129 I C -0.321 175.756 176.117 -0.068 0.000 1.085 129 I CA -0.691 60.515 61.300 -0.157 0.000 1.257 129 I CB 0.671 38.443 38.000 -0.380 0.000 1.430 129 I HN 0.303 nan 8.210 nan 0.000 0.489 130 L N 7.694 128.913 121.223 -0.006 0.000 2.261 130 L HA 0.463 4.804 4.340 0.001 0.000 0.289 130 L C -0.183 176.745 176.870 0.096 0.000 1.059 130 L CA 0.624 55.492 54.840 0.046 0.000 0.816 130 L CB 0.895 42.982 42.059 0.048 0.000 1.191 130 L HN 0.443 nan 8.230 nan 0.000 0.431 131 T N 4.283 118.888 114.554 0.086 0.000 2.876 131 T HA 0.813 5.163 4.350 0.001 0.000 0.289 131 T C -0.553 174.225 174.700 0.130 0.000 1.014 131 T CA -0.426 61.736 62.100 0.103 0.000 0.986 131 T CB 1.685 70.594 68.868 0.069 0.000 1.021 131 T HN 0.744 nan 8.240 nan 0.000 0.458 132 A N 1.867 124.785 122.820 0.163 0.000 2.305 132 A HA 0.823 5.144 4.320 0.001 0.000 0.322 132 A C 0.125 177.937 177.584 0.381 0.000 1.187 132 A CA -0.590 51.577 52.037 0.217 0.000 0.825 132 A CB 1.147 20.191 19.000 0.074 0.000 1.164 132 A HN 0.735 nan 8.150 nan 0.000 0.498 133 T N -0.265 114.541 114.554 0.421 0.000 2.903 133 T HA 0.510 4.861 4.350 0.001 0.000 0.299 133 T C 0.543 175.477 174.700 0.390 0.000 1.093 133 T CA 0.230 62.519 62.100 0.315 0.000 1.002 133 T CB 1.322 70.188 68.868 -0.004 0.000 1.127 133 T HN 1.248 nan 8.240 nan 0.000 0.488 134 S N 1.238 116.992 115.700 0.090 0.000 2.650 134 S HA 0.552 5.023 4.470 0.001 0.000 0.240 134 S C 1.262 175.925 174.600 0.105 0.000 1.007 134 S CA 0.580 58.828 58.200 0.080 0.000 0.984 134 S CB 0.496 63.533 63.200 -0.271 0.000 0.910 134 S HN 1.405 nan 8.310 nan 0.000 0.509 135 G N 1.535 110.384 108.800 0.082 0.000 4.220 135 G HA2 -0.112 3.848 3.960 0.001 0.000 0.197 135 G HA3 -0.112 3.848 3.960 0.001 0.000 0.197 135 G C 0.400 175.304 174.900 0.007 0.000 1.518 135 G CA 0.344 45.503 45.100 0.099 0.000 0.955 135 G HN 0.361 nan 8.290 nan 0.000 0.353 136 D N 0.759 121.116 120.400 -0.072 0.000 2.369 136 D HA 0.090 4.731 4.640 0.001 0.000 0.231 136 D C 2.466 178.641 176.300 -0.209 0.000 0.967 136 D CA 1.638 55.558 54.000 -0.132 0.000 0.905 136 D CB -0.423 40.300 40.800 -0.128 0.000 1.044 136 D HN 0.284 nan 8.370 nan 0.000 0.487 137 T N 0.955 115.387 114.554 -0.203 0.000 2.685 137 T HA -0.167 4.183 4.350 0.001 0.000 0.268 137 T C 1.997 176.563 174.700 -0.223 0.000 1.034 137 T CA 1.712 63.710 62.100 -0.169 0.000 1.149 137 T CB -0.729 68.090 68.868 -0.082 0.000 0.860 137 T HN 0.275 nan 8.240 nan 0.000 0.449 138 G N 1.030 109.567 108.800 -0.438 0.000 2.476 138 G HA2 -0.119 3.842 3.960 0.001 0.000 0.218 138 G HA3 -0.119 3.842 3.960 0.001 0.000 0.218 138 G C 1.816 176.296 174.900 -0.701 0.000 1.164 138 G CA 1.060 45.664 45.100 -0.826 0.000 0.768 138 G HN 0.621 nan 8.290 nan 0.000 0.560 139 A N 1.053 123.548 122.820 -0.541 0.000 1.898 139 A HA 0.328 4.649 4.320 0.001 0.000 0.216 139 A C 2.831 180.421 177.584 0.011 0.000 1.181 139 A CA 2.201 54.203 52.037 -0.059 0.000 0.620 139 A CB -0.799 18.193 19.000 -0.013 0.000 0.819 139 A HN 0.826 nan 8.150 nan 0.000 0.442 140 A N -0.606 122.173 122.820 -0.069 0.000 1.933 140 A HA 0.013 4.334 4.320 0.001 0.000 0.218 140 A C 2.214 179.874 177.584 0.126 0.000 1.175 140 A CA 1.857 53.892 52.037 -0.002 0.000 0.628 140 A CB -0.784 18.196 19.000 -0.032 0.000 0.814 140 A HN 0.379 nan 8.150 nan 0.000 0.444 141 V N -0.396 119.598 119.914 0.133 0.000 2.407 141 V HA -0.141 3.980 4.120 0.001 0.000 0.245 141 V C 3.034 179.341 176.094 0.355 0.000 1.041 141 V CA 1.625 64.097 62.300 0.288 0.000 1.040 141 V CB -1.187 30.750 31.823 0.189 0.000 0.671 141 V HN 0.592 nan 8.190 nan 0.000 0.455 142 A N -0.435 122.532 122.820 0.245 0.000 1.908 142 A HA -0.286 4.034 4.320 0.001 0.000 0.218 142 A C 2.022 179.776 177.584 0.284 0.000 1.181 142 A CA 2.415 54.617 52.037 0.276 0.000 0.627 142 A CB -0.766 18.403 19.000 0.282 0.000 0.818 142 A HN 0.677 nan 8.150 nan 0.000 0.445 143 H N -0.702 118.461 119.070 0.154 0.000 2.395 143 H HA 0.213 4.770 4.556 0.001 0.000 0.299 143 H C 2.428 177.838 175.328 0.137 0.000 1.070 143 H CA 1.247 57.368 56.048 0.123 0.000 1.356 143 H CB -0.261 29.529 29.762 0.047 0.000 1.401 143 H HN 0.497 nan 8.280 nan 0.000 0.524 144 A N 0.075 123.031 122.820 0.226 0.000 1.933 144 A HA -0.124 4.197 4.320 0.001 0.000 0.218 144 A C 1.215 178.697 177.584 -0.170 0.000 1.175 144 A CA 1.331 53.369 52.037 0.002 0.000 0.628 144 A CB -0.600 18.351 19.000 -0.081 0.000 0.814 144 A HN 0.361 nan 8.150 nan 0.000 0.444 145 F N -2.444 117.592 119.950 0.143 0.000 2.641 145 F HA 0.266 4.794 4.527 0.002 0.000 0.302 145 F C 0.385 176.247 175.800 0.104 0.000 1.098 145 F CA -0.793 57.270 58.000 0.105 0.000 1.318 145 F CB -0.179 38.871 39.000 0.084 0.000 1.035 145 F HN 0.264 nan 8.300 nan 0.000 0.551 146 Y N 0.898 121.280 120.300 0.136 0.000 2.425 146 Y HA 0.424 4.975 4.550 0.001 0.000 0.331 146 Y C 1.259 177.190 175.900 0.051 0.000 1.157 146 Y CA 0.446 58.587 58.100 0.068 0.000 1.372 146 Y CB 0.791 39.239 38.460 -0.021 0.000 1.253 146 Y HN 0.317 nan 8.280 nan 0.000 0.536 147 G N 4.419 112.763 108.800 -0.759 0.000 2.253 147 G HA2 -0.261 3.699 3.960 0.001 0.000 0.251 147 G HA3 -0.261 3.699 3.960 0.001 0.000 0.251 147 G C -0.266 174.517 174.900 -0.196 0.000 0.998 147 G CA 0.070 44.856 45.100 -0.523 0.000 0.621 147 G HN 0.583 nan 8.290 nan 0.000 0.524 148 L N 1.712 122.886 121.223 -0.082 0.000 2.678 148 L HA 0.138 4.478 4.340 0.001 0.000 0.276 148 L C -0.333 176.527 176.870 -0.016 0.000 1.142 148 L CA -0.156 54.682 54.840 -0.004 0.000 0.961 148 L CB 0.115 42.230 42.059 0.094 0.000 1.291 148 L HN 0.022 nan 8.230 nan 0.000 0.476 149 P HA -0.202 nan 4.420 nan 0.000 0.218 149 P C 1.191 178.486 177.300 -0.008 0.000 1.152 149 P CA 1.437 64.522 63.100 -0.025 0.000 0.857 149 P CB 0.144 31.832 31.700 -0.020 0.000 0.787 150 N N -1.216 117.488 118.700 0.008 0.000 2.412 150 N HA -0.006 4.734 4.740 0.001 0.000 0.184 150 N C -0.106 175.416 175.510 0.020 0.000 1.101 150 N CA 0.403 53.460 53.050 0.012 0.000 0.881 150 N CB -0.110 38.388 38.487 0.018 0.000 0.969 150 N HN 0.024 nan 8.380 nan 0.000 0.459 151 V N 0.796 120.731 119.914 0.035 0.000 2.581 151 V HA 0.393 4.514 4.120 0.001 0.000 0.303 151 V C -0.193 175.913 176.094 0.021 0.000 1.041 151 V CA -0.787 61.538 62.300 0.040 0.000 0.907 151 V CB 1.773 33.675 31.823 0.132 0.000 0.994 151 V HN 0.068 nan 8.190 nan 0.000 0.442 152 K N 3.083 123.482 120.400 -0.001 0.000 2.507 152 K HA 0.668 4.989 4.320 0.001 0.000 0.251 152 K C -1.152 175.443 176.600 -0.007 0.000 0.943 152 K CA -0.635 55.658 56.287 0.010 0.000 0.794 152 K CB 2.530 35.037 32.500 0.011 0.000 1.188 152 K HN 0.608 nan 8.250 nan 0.000 0.428 153 V N -0.455 119.475 119.914 0.027 0.000 2.581 153 V HA 0.705 4.826 4.120 0.001 0.000 0.303 153 V C -0.532 175.597 176.094 0.059 0.000 1.041 153 V CA -0.703 61.608 62.300 0.017 0.000 0.907 153 V CB 1.827 33.677 31.823 0.046 0.000 0.994 153 V HN 0.403 nan 8.190 nan 0.000 0.442 154 V N 5.701 125.644 119.914 0.048 0.000 2.447 154 V HA 0.499 4.619 4.120 0.001 0.000 0.292 154 V C -0.538 175.618 176.094 0.104 0.000 1.021 154 V CA -0.342 62.003 62.300 0.075 0.000 0.850 154 V CB 1.360 33.204 31.823 0.035 0.000 1.005 154 V HN 0.779 nan 8.190 nan 0.000 0.426 155 I N 5.913 126.587 120.570 0.173 0.000 2.377 155 I HA 0.502 4.673 4.170 0.001 0.000 0.293 155 I C -0.165 176.128 176.117 0.294 0.000 0.987 155 I CA -0.528 60.902 61.300 0.217 0.000 1.185 155 I CB 1.659 39.808 38.000 0.249 0.000 1.341 155 I HN 0.393 nan 8.210 nan 0.000 0.455 156 L N 7.706 129.078 121.223 0.248 0.000 2.329 156 L HA 0.546 4.887 4.340 0.001 0.000 0.279 156 L C -0.930 176.143 176.870 0.338 0.000 1.014 156 L CA -0.896 54.070 54.840 0.209 0.000 0.814 156 L CB 1.502 43.626 42.059 0.109 0.000 1.257 156 L HN 0.568 nan 8.230 nan 0.000 0.424 157 Y N 1.967 122.388 120.300 0.202 0.000 2.581 157 Y HA 0.602 5.153 4.550 0.001 0.000 0.337 157 Y C -2.994 173.021 175.900 0.191 0.000 1.108 157 Y CA -2.911 55.336 58.100 0.245 0.000 1.033 157 Y CB 1.281 39.943 38.460 0.336 0.000 1.318 157 Y HN 0.300 nan 8.280 nan 0.000 0.459 158 P HA 0.090 nan 4.420 nan 0.000 0.270 158 P C -0.502 176.902 177.300 0.174 0.000 1.242 158 P CA 0.030 63.233 63.100 0.171 0.000 0.768 158 P CB 0.974 32.814 31.700 0.234 0.000 0.820 159 R N 3.177 123.681 120.500 0.006 0.000 2.538 159 R HA 0.180 4.520 4.340 0.001 0.000 0.282 159 R C 1.511 177.887 176.300 0.127 0.000 1.009 159 R CA 1.359 57.486 56.100 0.044 0.000 1.063 159 R CB -0.654 29.629 30.300 -0.028 0.000 0.945 159 R HN 0.809 nan 8.270 nan 0.000 0.414 160 G N 3.382 112.285 108.800 0.172 0.000 2.186 160 G HA2 -0.333 3.628 3.960 0.001 0.000 0.266 160 G HA3 -0.333 3.628 3.960 0.001 0.000 0.266 160 G C 0.555 175.540 174.900 0.141 0.000 0.982 160 G CA 0.928 46.107 45.100 0.132 0.000 0.670 160 G HN 0.588 nan 8.290 nan 0.000 0.533 161 K N -0.137 120.377 120.400 0.189 0.000 2.358 161 K HA 0.434 4.755 4.320 0.001 0.000 0.197 161 K C 1.278 178.000 176.600 0.204 0.000 1.025 161 K CA 0.493 56.890 56.287 0.183 0.000 1.104 161 K CB 0.144 32.759 32.500 0.192 0.000 0.855 161 K HN 0.796 nan 8.250 nan 0.000 0.531 162 I N -2.878 117.820 120.570 0.213 0.000 3.023 162 I HA 0.497 4.668 4.170 0.001 0.000 0.312 162 I C 0.108 176.311 176.117 0.144 0.000 1.056 162 I CA -1.339 60.077 61.300 0.193 0.000 1.033 162 I CB 1.921 40.023 38.000 0.171 0.000 1.233 162 I HN -0.118 nan 8.210 nan 0.000 0.462 163 S N 1.805 117.594 115.700 0.149 0.000 2.585 163 S HA 0.361 4.832 4.470 0.001 0.000 0.273 163 S C -1.874 172.718 174.600 -0.013 0.000 1.339 163 S CA -0.733 57.523 58.200 0.093 0.000 1.028 163 S CB 0.914 64.172 63.200 0.097 0.000 0.906 163 S HN 0.602 nan 8.310 nan 0.000 0.528 164 P HA -0.120 nan 4.420 nan 0.000 0.215 164 P C 1.486 178.718 177.300 -0.113 0.000 1.157 164 P CA 1.222 64.286 63.100 -0.059 0.000 0.874 164 P CB -0.049 31.627 31.700 -0.040 0.000 0.790 165 L N -1.117 120.025 121.223 -0.135 0.000 2.083 165 L HA -0.206 4.135 4.340 0.001 0.000 0.209 165 L C 2.643 179.402 176.870 -0.186 0.000 1.083 165 L CA 1.523 56.259 54.840 -0.173 0.000 0.752 165 L CB -0.933 40.998 42.059 -0.214 0.000 0.899 165 L HN 0.049 nan 8.230 nan 0.000 0.433 166 Q N -0.242 119.443 119.800 -0.190 0.000 2.084 166 Q HA -0.276 4.065 4.340 0.001 0.000 0.202 166 Q C 2.131 178.069 176.000 -0.104 0.000 0.978 166 Q CA 1.799 57.537 55.803 -0.107 0.000 0.844 166 Q CB -0.093 28.615 28.738 -0.051 0.000 0.898 166 Q HN 0.493 nan 8.270 nan 0.000 0.426 167 E N 0.611 120.659 120.200 -0.254 0.000 2.051 167 E HA -0.199 4.152 4.350 0.001 0.000 0.192 167 E C 1.820 178.095 176.600 -0.543 0.000 0.991 167 E CA 0.847 56.907 56.400 -0.567 0.000 0.799 167 E CB 0.236 29.709 29.700 -0.378 0.000 0.748 167 E HN 0.038 nan 8.360 nan 0.000 0.449 168 K N 0.578 120.802 120.400 -0.293 0.000 2.152 168 K HA -0.166 4.155 4.320 0.001 0.000 0.206 168 K C 2.145 178.642 176.600 -0.171 0.000 1.048 168 K CA 0.528 56.686 56.287 -0.215 0.000 0.933 168 K CB -0.480 31.932 32.500 -0.147 0.000 0.721 168 K HN 0.211 nan 8.250 nan 0.000 0.447 169 L N 0.725 121.873 121.223 -0.124 0.000 2.191 169 L HA -0.139 4.202 4.340 0.001 0.000 0.212 169 L C 1.576 178.560 176.870 0.190 0.000 1.103 169 L CA 1.645 56.493 54.840 0.014 0.000 0.769 169 L CB -0.242 41.819 42.059 0.004 0.000 0.908 169 L HN 0.242 nan 8.230 nan 0.000 0.438 170 F N -5.800 114.142 119.950 -0.012 0.000 2.856 170 F HA 0.332 4.860 4.527 0.001 0.000 0.338 170 F C 1.216 177.006 175.800 -0.017 0.000 1.100 170 F CA -0.560 57.454 58.000 0.024 0.000 1.150 170 F CB -1.191 37.834 39.000 0.043 0.000 1.101 170 F HN -0.166 nan 8.300 nan 0.000 0.548 171 C N 1.270 120.254 119.300 -0.527 0.000 2.884 171 C HA 0.277 4.737 4.460 0.001 0.000 0.287 171 C C 1.769 176.650 174.990 -0.182 0.000 1.310 171 C CA 0.773 59.566 59.018 -0.374 0.000 1.725 171 C CB -1.342 26.084 27.740 -0.522 0.000 2.060 171 C HN 0.652 nan 8.230 nan 0.000 0.618 172 T N -3.229 111.241 114.554 -0.141 0.000 3.252 172 T HA 0.346 4.696 4.350 0.001 0.000 0.286 172 T C 0.897 175.548 174.700 -0.082 0.000 1.013 172 T CA 0.043 62.083 62.100 -0.099 0.000 0.914 172 T CB -0.293 68.514 68.868 -0.102 0.000 1.131 172 T HN 0.324 nan 8.240 nan 0.000 0.529 173 L N 0.980 122.161 121.223 -0.070 0.000 2.189 173 L HA 0.506 4.847 4.340 0.001 0.000 0.199 173 L C 1.930 178.808 176.870 0.013 0.000 1.074 173 L CA 0.646 55.426 54.840 -0.100 0.000 0.783 173 L CB -1.102 40.873 42.059 -0.140 0.000 0.955 173 L HN 0.645 nan 8.230 nan 0.000 0.460 174 G N -0.661 108.180 108.800 0.068 0.000 2.598 174 G HA2 -0.016 3.945 3.960 0.001 0.000 0.244 174 G HA3 -0.016 3.945 3.960 0.001 0.000 0.244 174 G C 0.625 175.637 174.900 0.187 0.000 1.302 174 G CA -0.212 44.950 45.100 0.103 0.000 0.903 174 G HN 0.856 nan 8.290 nan 0.000 0.575 175 G N -0.217 108.672 108.800 0.148 0.000 2.677 175 G HA2 -0.470 3.490 3.960 0.001 0.000 0.321 175 G HA3 -0.470 3.490 3.960 0.001 0.000 0.321 175 G C 1.388 176.347 174.900 0.098 0.000 1.181 175 G CA 1.596 46.773 45.100 0.129 0.000 0.965 175 G HN 1.963 nan 8.290 nan 0.000 0.548 176 N N 0.355 119.097 118.700 0.071 0.000 2.457 176 N HA 0.045 4.786 4.740 0.001 0.000 0.180 176 N C 0.520 176.105 175.510 0.125 0.000 1.050 176 N CA 0.244 53.317 53.050 0.038 0.000 0.906 176 N CB -0.113 38.320 38.487 -0.090 0.000 0.968 176 N HN 0.433 nan 8.380 nan 0.000 0.445 177 I N 1.501 122.188 120.570 0.195 0.000 2.396 177 I HA 0.265 4.436 4.170 0.001 0.000 0.292 177 I C -0.205 176.007 176.117 0.158 0.000 0.999 177 I CA -0.203 61.212 61.300 0.191 0.000 1.310 177 I CB 1.303 39.434 38.000 0.219 0.000 1.404 177 I HN 0.035 nan 8.210 nan 0.000 0.496 178 E N 3.714 124.007 120.200 0.156 0.000 2.241 178 E HA 0.474 4.824 4.350 0.001 0.000 0.263 178 E C -0.882 175.825 176.600 0.178 0.000 0.882 178 E CA -0.497 55.992 56.400 0.148 0.000 0.769 178 E CB 1.472 31.243 29.700 0.117 0.000 1.185 178 E HN 0.726 nan 8.360 nan 0.000 0.415 179 T N 0.113 114.775 114.554 0.180 0.000 2.856 179 T HA 0.776 5.127 4.350 0.001 0.000 0.283 179 T C -0.629 174.200 174.700 0.216 0.000 1.008 179 T CA -0.804 61.457 62.100 0.268 0.000 0.997 179 T CB 1.304 70.347 68.868 0.293 0.000 0.992 179 T HN 0.122 nan 8.240 nan 0.000 0.454 180 V N 1.691 121.730 119.914 0.209 0.000 2.525 180 V HA 0.714 4.835 4.120 0.001 0.000 0.299 180 V C 0.181 176.093 176.094 -0.303 0.000 1.034 180 V CA -1.178 61.136 62.300 0.024 0.000 0.863 180 V CB 1.442 33.274 31.823 0.014 0.000 0.999 180 V HN 1.278 nan 8.190 nan 0.000 0.423 181 A N 6.595 129.174 122.820 -0.400 0.000 2.391 181 A HA 0.662 4.983 4.320 0.001 0.000 0.316 181 A C -0.148 177.238 177.584 -0.329 0.000 1.381 181 A CA -0.324 51.293 52.037 -0.700 0.000 0.998 181 A CB -0.215 18.549 19.000 -0.393 0.000 1.147 181 A HN 0.623 nan 8.150 nan 0.000 0.545 182 I N 1.990 122.384 120.570 -0.293 0.000 2.474 182 I HA 0.069 4.239 4.170 0.001 0.000 0.287 182 I C 0.383 176.457 176.117 -0.071 0.000 1.048 182 I CA -0.239 60.987 61.300 -0.122 0.000 1.383 182 I CB 1.198 39.158 38.000 -0.067 0.000 1.412 182 I HN 0.634 nan 8.210 nan 0.000 0.531 183 D N 5.110 125.487 120.400 -0.038 0.000 2.608 183 D HA 0.468 5.109 4.640 0.001 0.000 0.224 183 D C 0.215 176.518 176.300 0.005 0.000 1.123 183 D CA 0.271 54.264 54.000 -0.012 0.000 1.030 183 D CB -0.141 40.655 40.800 -0.007 0.000 1.093 183 D HN 0.806 nan 8.370 nan 0.000 0.497 184 G N 1.799 110.609 108.800 0.018 0.000 2.341 184 G HA2 0.332 4.293 3.960 0.001 0.000 0.299 184 G HA3 0.332 4.293 3.960 0.001 0.000 0.299 184 G C -1.234 173.704 174.900 0.063 0.000 1.274 184 G CA -0.483 44.637 45.100 0.034 0.000 0.853 184 G HN 0.368 nan 8.290 nan 0.000 0.493 185 D N -1.268 119.178 120.400 0.077 0.000 2.529 185 D HA 0.528 5.169 4.640 0.001 0.000 0.273 185 D C 1.273 177.670 176.300 0.163 0.000 1.197 185 D CA -0.771 53.309 54.000 0.132 0.000 1.070 185 D CB 0.629 41.507 40.800 0.130 0.000 1.134 185 D HN 0.249 nan 8.370 nan 0.000 0.590 186 F N 0.546 120.558 119.950 0.104 0.000 2.069 186 F HA -0.193 4.336 4.527 0.002 0.000 0.298 186 F C 1.562 177.423 175.800 0.102 0.000 1.113 186 F CA 1.856 59.927 58.000 0.118 0.000 1.214 186 F CB -0.428 38.650 39.000 0.130 0.000 0.978 186 F HN 0.183 nan 8.300 nan 0.000 0.474 187 D N 0.743 121.110 120.400 -0.054 0.000 2.133 187 D HA -0.266 4.375 4.640 0.001 0.000 0.192 187 D C 2.388 178.579 176.300 -0.181 0.000 1.001 187 D CA 1.886 55.798 54.000 -0.147 0.000 0.844 187 D CB -0.913 39.908 40.800 0.035 0.000 0.944 187 D HN 0.425 nan 8.370 nan 0.000 0.447 188 A N 0.326 123.096 122.820 -0.085 0.000 1.933 188 A HA -0.190 4.131 4.320 0.001 0.000 0.218 188 A C 2.593 180.125 177.584 -0.087 0.000 1.175 188 A CA 1.404 53.407 52.037 -0.056 0.000 0.628 188 A CB -0.890 18.105 19.000 -0.010 0.000 0.814 188 A HN 0.371 nan 8.150 nan 0.000 0.444 189 C N -1.345 117.871 119.300 -0.139 0.000 2.432 189 C HA -0.106 4.355 4.460 0.001 0.000 0.277 189 C C 2.833 177.713 174.990 -0.183 0.000 1.249 189 C CA 1.305 60.250 59.018 -0.122 0.000 1.725 189 C CB -1.208 26.489 27.740 -0.071 0.000 2.028 189 C HN 0.770 nan 8.230 nan 0.000 0.477 190 Q N 0.507 120.054 119.800 -0.422 0.000 2.167 190 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 190 Q C 2.238 178.156 176.000 -0.138 0.000 0.970 190 Q CA 1.493 57.100 55.803 -0.326 0.000 0.855 190 Q CB -0.180 28.244 28.738 -0.524 0.000 0.911 190 Q HN 0.680 nan 8.270 nan 0.000 0.438 191 A N 0.410 123.155 122.820 -0.124 0.000 1.930 191 A HA -0.122 4.198 4.320 0.001 0.000 0.217 191 A C 1.951 179.524 177.584 -0.017 0.000 1.175 191 A CA 0.888 52.888 52.037 -0.061 0.000 0.627 191 A CB -0.505 18.464 19.000 -0.052 0.000 0.815 191 A HN 0.422 nan 8.150 nan 0.000 0.443 192 L N -0.631 120.605 121.223 0.022 0.000 2.056 192 L HA -0.138 4.203 4.340 0.001 0.000 0.207 192 L C 2.516 179.495 176.870 0.182 0.000 1.078 192 L CA 0.904 55.822 54.840 0.131 0.000 0.749 192 L CB -0.533 41.611 42.059 0.142 0.000 0.901 192 L HN 0.241 nan 8.230 nan 0.000 0.433 193 V N 0.068 120.060 119.914 0.130 0.000 2.261 193 V HA -0.305 3.816 4.120 0.001 0.000 0.246 193 V C 2.463 178.733 176.094 0.295 0.000 1.047 193 V CA 1.847 64.269 62.300 0.203 0.000 1.015 193 V CB -0.562 31.354 31.823 0.156 0.000 0.642 193 V HN 0.416 nan 8.190 nan 0.000 0.446 194 K N -0.265 120.217 120.400 0.137 0.000 2.063 194 K HA -0.265 4.056 4.320 0.001 0.000 0.208 194 K C 2.308 178.976 176.600 0.114 0.000 1.048 194 K CA 1.771 58.103 56.287 0.075 0.000 0.928 194 K CB -0.264 32.201 32.500 -0.057 0.000 0.713 194 K HN 0.467 nan 8.250 nan 0.000 0.442 195 Q N 0.472 120.263 119.800 -0.016 0.000 2.181 195 Q HA -0.159 4.182 4.340 0.001 0.000 0.205 195 Q C 1.931 177.753 176.000 -0.296 0.000 0.980 195 Q CA 1.351 57.003 55.803 -0.253 0.000 0.862 195 Q CB -0.085 28.362 28.738 -0.485 0.000 0.905 195 Q HN 0.373 nan 8.270 nan 0.000 0.429 196 A N -0.351 122.507 122.820 0.064 0.000 2.070 196 A HA -0.137 4.184 4.320 0.001 0.000 0.220 196 A C 1.369 178.967 177.584 0.023 0.000 1.159 196 A CA 0.848 53.023 52.037 0.229 0.000 0.656 196 A CB -0.567 18.584 19.000 0.251 0.000 0.800 196 A HN 0.444 nan 8.150 nan 0.000 0.453 197 F N -0.007 119.933 119.950 -0.015 0.000 2.780 197 F HA 0.022 4.549 4.527 0.001 0.000 0.299 197 F C 1.408 177.184 175.800 -0.040 0.000 1.146 197 F CA 0.636 58.623 58.000 -0.021 0.000 1.428 197 F CB 0.136 39.111 39.000 -0.042 0.000 1.115 197 F HN 0.195 nan 8.300 nan 0.000 0.583 198 D N -0.772 119.667 120.400 0.064 0.000 2.350 198 D HA -0.073 4.567 4.640 0.001 0.000 0.213 198 D C 0.426 176.723 176.300 -0.005 0.000 1.031 198 D CA 0.566 54.567 54.000 0.002 0.000 0.861 198 D CB -0.046 40.714 40.800 -0.068 0.000 0.926 198 D HN 0.161 nan 8.370 nan 0.000 0.520 199 D N 1.335 121.742 120.400 0.012 0.000 2.494 199 D HA -0.014 4.627 4.640 0.001 0.000 0.217 199 D C 1.193 177.510 176.300 0.027 0.000 1.153 199 D CA -0.111 53.922 54.000 0.053 0.000 0.954 199 D CB 1.067 41.972 40.800 0.175 0.000 1.034 199 D HN -0.163 nan 8.370 nan 0.000 0.518 200 E N 2.561 122.773 120.200 0.020 0.000 2.097 200 E HA -0.248 4.103 4.350 0.001 0.000 0.196 200 E C 1.182 177.785 176.600 0.004 0.000 1.000 200 E CA 1.664 58.071 56.400 0.012 0.000 0.804 200 E CB 0.289 29.999 29.700 0.016 0.000 0.740 200 E HN 0.467 nan 8.360 nan 0.000 0.454 201 E N -0.047 120.161 120.200 0.013 0.000 2.058 201 E HA -0.171 4.179 4.350 0.001 0.000 0.194 201 E C 1.978 178.576 176.600 -0.004 0.000 0.997 201 E CA 1.226 57.630 56.400 0.007 0.000 0.801 201 E CB -0.444 29.265 29.700 0.015 0.000 0.746 201 E HN 0.244 nan 8.360 nan 0.000 0.450 202 L N 1.159 122.384 121.223 0.002 0.000 2.027 202 L HA -0.139 4.201 4.340 0.001 0.000 0.206 202 L C 1.737 178.572 176.870 -0.058 0.000 1.074 202 L CA 1.876 56.704 54.840 -0.020 0.000 0.745 202 L CB -0.299 41.768 42.059 0.013 0.000 0.898 202 L HN -0.049 nan 8.230 nan 0.000 0.433 203 K N -1.006 119.347 120.400 -0.078 0.000 2.015 203 K HA -0.202 4.119 4.320 0.001 0.000 0.216 203 K C 1.909 178.464 176.600 -0.075 0.000 1.052 203 K CA 2.057 58.271 56.287 -0.122 0.000 0.937 203 K CB -0.647 31.789 32.500 -0.108 0.000 0.719 203 K HN 0.262 nan 8.250 nan 0.000 0.446 204 V N 1.244 121.133 119.914 -0.041 0.000 2.343 204 V HA -0.260 3.861 4.120 0.001 0.000 0.247 204 V C 2.383 178.460 176.094 -0.029 0.000 1.051 204 V CA 2.011 64.296 62.300 -0.027 0.000 1.036 204 V CB -0.767 31.048 31.823 -0.013 0.000 0.654 204 V HN 0.400 nan 8.190 nan 0.000 0.451 205 A N -0.180 122.621 122.820 -0.031 0.000 1.877 205 A HA -0.099 4.222 4.320 0.001 0.000 0.216 205 A C 2.062 179.625 177.584 -0.035 0.000 1.186 205 A CA 1.786 53.806 52.037 -0.029 0.000 0.620 205 A CB -0.395 18.588 19.000 -0.028 0.000 0.822 205 A HN 0.536 nan 8.150 nan 0.000 0.443 206 L N -1.442 119.751 121.223 -0.049 0.000 2.640 206 L HA 0.283 4.624 4.340 0.001 0.000 0.230 206 L C 1.302 178.137 176.870 -0.059 0.000 1.123 206 L CA 0.309 55.117 54.840 -0.053 0.000 0.900 206 L CB -0.259 41.762 42.059 -0.064 0.000 1.146 206 L HN 0.536 nan 8.230 nan 0.000 0.484 207 G N 2.049 110.813 108.800 -0.060 0.000 2.333 207 G HA2 -0.285 3.676 3.960 0.001 0.000 0.296 207 G HA3 -0.285 3.676 3.960 0.001 0.000 0.296 207 G C 0.048 174.899 174.900 -0.081 0.000 1.059 207 G CA -0.068 44.999 45.100 -0.055 0.000 1.050 207 G HN 0.248 nan 8.290 nan 0.000 0.508 208 L N -0.100 121.040 121.223 -0.139 0.000 2.506 208 L HA 0.363 4.703 4.340 0.001 0.000 0.281 208 L C 0.581 177.355 176.870 -0.160 0.000 1.228 208 L CA 0.317 55.015 54.840 -0.237 0.000 0.850 208 L CB 0.719 42.492 42.059 -0.476 0.000 1.110 208 L HN 0.585 nan 8.230 nan 0.000 0.496 209 N N 0.899 119.551 118.700 -0.081 0.000 3.127 209 N HA 0.317 5.058 4.740 0.001 0.000 0.239 209 N C -1.878 173.770 175.510 0.231 0.000 1.407 209 N CA -0.473 52.672 53.050 0.158 0.000 0.891 209 N CB 1.950 40.470 38.487 0.056 0.000 1.447 209 N HN 0.441 nan 8.380 nan 0.000 0.507 210 S N -0.113 115.763 115.700 0.293 0.000 2.542 210 S HA 0.816 5.287 4.470 0.001 0.000 0.293 210 S C -0.212 174.441 174.600 0.088 0.000 1.089 210 S CA 0.011 58.326 58.200 0.193 0.000 0.961 210 S CB 1.201 64.536 63.200 0.225 0.000 1.062 210 S HN 0.712 nan 8.310 nan 0.000 0.483 211 A N 3.717 126.574 122.820 0.062 0.000 2.348 211 A HA 0.362 4.682 4.320 0.001 0.000 0.224 211 A C 0.564 178.225 177.584 0.129 0.000 1.227 211 A CA -0.209 51.885 52.037 0.095 0.000 0.885 211 A CB -0.589 18.459 19.000 0.081 0.000 0.933 211 A HN 0.777 nan 8.150 nan 0.000 0.506 212 N N 0.215 118.985 118.700 0.116 0.000 2.288 212 N HA 0.129 4.869 4.740 0.001 0.000 0.237 212 N C 1.454 177.047 175.510 0.138 0.000 1.311 212 N CA 0.741 53.872 53.050 0.135 0.000 0.909 212 N CB 0.396 38.968 38.487 0.142 0.000 1.167 212 N HN 0.246 nan 8.380 nan 0.000 0.476 213 S N -0.402 115.394 115.700 0.161 0.000 2.528 213 S HA -0.112 4.359 4.470 0.001 0.000 0.244 213 S C 1.602 176.277 174.600 0.126 0.000 0.982 213 S CA 0.625 58.927 58.200 0.169 0.000 0.953 213 S CB -0.721 62.602 63.200 0.206 0.000 0.754 213 S HN 0.477 nan 8.310 nan 0.000 0.529 214 I N 1.809 122.430 120.570 0.085 0.000 2.248 214 I HA -0.165 4.006 4.170 0.001 0.000 0.248 214 I C 1.468 177.597 176.117 0.020 0.000 1.107 214 I CA 0.893 62.198 61.300 0.008 0.000 1.373 214 I CB -0.521 37.431 38.000 -0.081 0.000 1.055 214 I HN 0.391 nan 8.210 nan 0.000 0.418 215 N N 1.739 120.476 118.700 0.061 0.000 2.452 215 N HA -0.047 4.694 4.740 0.001 0.000 0.266 215 N C 0.919 176.498 175.510 0.115 0.000 1.175 215 N CA 0.046 53.146 53.050 0.084 0.000 0.945 215 N CB 1.328 39.873 38.487 0.097 0.000 1.063 215 N HN 0.057 nan 8.380 nan 0.000 0.472 216 I N 4.197 124.836 120.570 0.114 0.000 2.399 216 I HA -0.305 3.865 4.170 0.001 0.000 0.254 216 I C 2.213 178.458 176.117 0.214 0.000 1.146 216 I CA 1.618 62.998 61.300 0.132 0.000 1.412 216 I CB -0.432 37.647 38.000 0.133 0.000 1.076 216 I HN 0.692 nan 8.210 nan 0.000 0.432 217 S N -0.146 115.684 115.700 0.215 0.000 2.402 217 S HA -0.138 4.333 4.470 0.001 0.000 0.229 217 S C 2.225 177.093 174.600 0.447 0.000 1.021 217 S CA 0.451 58.889 58.200 0.396 0.000 0.974 217 S CB -0.471 62.840 63.200 0.185 0.000 0.800 217 S HN 0.395 nan 8.310 nan 0.000 0.484 218 R N 0.765 121.449 120.500 0.307 0.000 2.062 218 R HA 0.148 4.489 4.340 0.001 0.000 0.231 218 R C 2.338 178.794 176.300 0.261 0.000 1.136 218 R CA 1.130 57.414 56.100 0.306 0.000 0.948 218 R CB -1.469 28.975 30.300 0.241 0.000 0.845 218 R HN 0.473 nan 8.270 nan 0.000 0.430 219 L N 1.380 122.716 121.223 0.187 0.000 1.971 219 L HA -0.179 4.162 4.340 0.001 0.000 0.215 219 L C 2.304 179.197 176.870 0.038 0.000 1.072 219 L CA 1.730 56.638 54.840 0.113 0.000 0.758 219 L CB -0.805 41.284 42.059 0.049 0.000 0.889 219 L HN 0.119 nan 8.230 nan 0.000 0.433 220 L N -0.802 120.418 121.223 -0.005 0.000 2.012 220 L HA -0.247 4.094 4.340 0.001 0.000 0.210 220 L C 2.679 179.474 176.870 -0.125 0.000 1.073 220 L CA 1.410 56.160 54.840 -0.149 0.000 0.748 220 L CB -1.141 40.828 42.059 -0.150 0.000 0.891 220 L HN 0.426 nan 8.230 nan 0.000 0.431 221 A N -0.334 122.461 122.820 -0.042 0.000 1.940 221 A HA -0.263 4.058 4.320 0.001 0.000 0.219 221 A C 2.158 179.755 177.584 0.021 0.000 1.176 221 A CA 1.664 53.651 52.037 -0.084 0.000 0.631 221 A CB -0.518 18.574 19.000 0.153 0.000 0.814 221 A HN 0.541 nan 8.150 nan 0.000 0.446 222 Q N -0.749 119.058 119.800 0.011 0.000 2.437 222 Q HA 0.046 4.387 4.340 0.001 0.000 0.210 222 Q C 1.662 177.328 176.000 -0.557 0.000 0.972 222 Q CA 0.709 56.342 55.803 -0.283 0.000 0.903 222 Q CB -0.232 28.613 28.738 0.177 0.000 0.967 222 Q HN 0.767 nan 8.270 nan 0.000 0.486 223 I N -0.385 120.074 120.570 -0.185 0.000 2.546 223 I HA -0.258 3.913 4.170 0.001 0.000 0.255 223 I C 1.945 178.120 176.117 0.097 0.000 1.163 223 I CA 0.362 61.662 61.300 0.001 0.000 1.457 223 I CB -0.188 37.825 38.000 0.022 0.000 1.092 223 I HN 0.312 nan 8.210 nan 0.000 0.434 224 C N 0.644 119.910 119.300 -0.057 0.000 2.425 224 C HA -0.186 4.275 4.460 0.001 0.000 0.277 224 C C 2.696 177.842 174.990 0.259 0.000 1.280 224 C CA 0.527 59.603 59.018 0.096 0.000 1.744 224 C CB -1.293 26.551 27.740 0.173 0.000 1.989 224 C HN 0.632 nan 8.230 nan 0.000 0.491 225 Y N -1.706 118.666 120.300 0.121 0.000 2.561 225 Y HA 0.080 4.630 4.550 0.001 0.000 0.291 225 Y C 1.963 177.798 175.900 -0.109 0.000 1.141 225 Y CA 0.264 58.288 58.100 -0.126 0.000 1.303 225 Y CB -1.595 36.502 38.460 -0.605 0.000 1.015 225 Y HN 0.313 nan 8.280 nan 0.000 0.547 226 Y N -0.749 119.683 120.300 0.219 0.000 2.184 226 Y HA -0.090 4.460 4.550 0.001 0.000 0.290 226 Y C 1.975 177.966 175.900 0.152 0.000 1.129 226 Y CA 1.490 59.712 58.100 0.203 0.000 1.144 226 Y CB -0.753 37.820 38.460 0.189 0.000 0.995 226 Y HN 0.078 nan 8.280 nan 0.000 0.513 227 F N 0.262 120.346 119.950 0.223 0.000 2.102 227 F HA -0.216 4.311 4.527 0.001 0.000 0.298 227 F C 2.464 178.318 175.800 0.089 0.000 1.105 227 F CA 1.807 59.892 58.000 0.141 0.000 1.239 227 F CB -0.749 38.327 39.000 0.127 0.000 0.991 227 F HN 0.024 nan 8.300 nan 0.000 0.474 228 E N 0.621 121.000 120.200 0.298 0.000 2.160 228 E HA -0.201 4.150 4.350 0.001 0.000 0.195 228 E C 2.076 178.640 176.600 -0.060 0.000 0.991 228 E CA 1.389 57.824 56.400 0.058 0.000 0.810 228 E CB -0.433 29.102 29.700 -0.275 0.000 0.742 228 E HN 0.275 nan 8.360 nan 0.000 0.466 229 A N -0.024 122.767 122.820 -0.047 0.000 1.855 229 A HA -0.124 4.196 4.320 0.001 0.000 0.215 229 A C 2.538 180.090 177.584 -0.053 0.000 1.191 229 A CA 1.674 53.657 52.037 -0.089 0.000 0.613 229 A CB -0.916 18.028 19.000 -0.093 0.000 0.829 229 A HN 0.183 nan 8.150 nan 0.000 0.442 230 V N 0.130 120.030 119.914 -0.022 0.000 2.392 230 V HA -0.283 3.838 4.120 0.001 0.000 0.249 230 V C 2.979 179.049 176.094 -0.041 0.000 1.059 230 V CA 1.954 64.229 62.300 -0.041 0.000 1.051 230 V CB -1.251 30.529 31.823 -0.071 0.000 0.658 230 V HN 0.618 nan 8.190 nan 0.000 0.455 231 A N -1.035 121.779 122.820 -0.009 0.000 2.125 231 A HA -0.236 4.085 4.320 0.001 0.000 0.219 231 A C 2.105 179.666 177.584 -0.039 0.000 1.156 231 A CA 1.570 53.604 52.037 -0.005 0.000 0.671 231 A CB -0.361 18.664 19.000 0.042 0.000 0.794 231 A HN 0.684 nan 8.150 nan 0.000 0.459 232 Q N -0.852 118.910 119.800 -0.065 0.000 2.408 232 Q HA 0.282 4.623 4.340 0.001 0.000 0.205 232 Q C -0.152 175.788 176.000 -0.101 0.000 0.919 232 Q CA -0.105 55.648 55.803 -0.084 0.000 0.932 232 Q CB 0.182 28.857 28.738 -0.106 0.000 1.058 232 Q HN 0.576 nan 8.270 nan 0.000 0.517 233 L N 2.805 123.960 121.223 -0.113 0.000 2.399 233 L HA 0.353 4.694 4.340 0.001 0.000 0.266 233 L C -1.977 174.797 176.870 -0.160 0.000 1.114 233 L CA -2.124 52.610 54.840 -0.177 0.000 0.804 233 L CB 0.237 42.174 42.059 -0.203 0.000 1.146 233 L HN -0.064 nan 8.230 nan 0.000 0.451 234 P HA 0.068 nan 4.420 nan 0.000 0.275 234 P C -0.176 177.046 177.300 -0.129 0.000 1.228 234 P CA -0.480 62.534 63.100 -0.143 0.000 0.786 234 P CB 1.002 32.613 31.700 -0.149 0.000 0.927 235 Q N 1.668 121.414 119.800 -0.090 0.000 2.173 235 Q HA -0.223 4.118 4.340 0.001 0.000 0.208 235 Q C 1.704 177.658 176.000 -0.077 0.000 0.989 235 Q CA 1.946 57.706 55.803 -0.072 0.000 0.872 235 Q CB -0.263 28.443 28.738 -0.052 0.000 0.909 235 Q HN 0.616 nan 8.270 nan 0.000 0.420 236 E N -0.138 120.011 120.200 -0.085 0.000 2.086 236 E HA -0.205 4.146 4.350 0.001 0.000 0.200 236 E C 1.937 178.488 176.600 -0.082 0.000 1.012 236 E CA 1.917 58.270 56.400 -0.078 0.000 0.812 236 E CB -0.307 29.343 29.700 -0.084 0.000 0.743 236 E HN 0.555 nan 8.360 nan 0.000 0.453 237 T N -1.529 112.950 114.554 -0.126 0.000 3.067 237 T HA 0.054 4.405 4.350 0.001 0.000 0.257 237 T C 1.722 176.378 174.700 -0.074 0.000 1.105 237 T CA 0.206 62.241 62.100 -0.109 0.000 1.104 237 T CB 0.052 68.772 68.868 -0.246 0.000 0.925 237 T HN 0.008 nan 8.240 nan 0.000 0.498 238 R N 1.429 121.878 120.500 -0.086 0.000 2.276 238 R HA -0.110 4.230 4.340 0.001 0.000 0.243 238 R C 1.779 178.044 176.300 -0.057 0.000 1.161 238 R CA 1.595 57.653 56.100 -0.070 0.000 1.007 238 R CB -0.309 29.951 30.300 -0.067 0.000 0.867 238 R HN 0.458 nan 8.270 nan 0.000 0.472 239 N N -1.059 117.612 118.700 -0.048 0.000 2.184 239 N HA 0.018 4.758 4.740 0.001 0.000 0.206 239 N C -0.188 175.298 175.510 -0.040 0.000 1.151 239 N CA 0.055 53.079 53.050 -0.043 0.000 0.878 239 N CB 0.813 39.279 38.487 -0.035 0.000 1.014 239 N HN 0.066 nan 8.380 nan 0.000 0.512 240 Q N 0.559 120.341 119.800 -0.029 0.000 2.158 240 Q HA 0.195 4.536 4.340 0.001 0.000 0.306 240 Q C -1.084 174.914 176.000 -0.003 0.000 0.878 240 Q CA -0.387 55.406 55.803 -0.017 0.000 1.136 240 Q CB 0.684 29.423 28.738 0.002 0.000 1.253 240 Q HN 0.232 nan 8.270 nan 0.000 0.441 241 L N 0.965 122.170 121.223 -0.031 0.000 2.319 241 L HA 0.321 4.662 4.340 0.001 0.000 0.280 241 L C -0.746 176.053 176.870 -0.118 0.000 1.099 241 L CA -0.243 54.578 54.840 -0.032 0.000 0.828 241 L CB 1.135 43.163 42.059 -0.050 0.000 1.150 241 L HN -0.156 nan 8.230 nan 0.000 0.442 242 V N 6.088 125.937 119.914 -0.108 0.000 2.444 242 V HA 0.445 4.566 4.120 0.001 0.000 0.294 242 V C -0.526 175.480 176.094 -0.146 0.000 1.022 242 V CA -0.706 61.502 62.300 -0.154 0.000 0.850 242 V CB 1.788 33.548 31.823 -0.105 0.000 0.992 242 V HN 0.498 nan 8.190 nan 0.000 0.426 243 V N 3.623 123.407 119.914 -0.217 0.000 2.357 243 V HA 0.445 4.566 4.120 0.001 0.000 0.284 243 V C 0.322 176.483 176.094 0.112 0.000 1.018 243 V CA -0.251 62.010 62.300 -0.065 0.000 0.841 243 V CB 1.723 33.504 31.823 -0.070 0.000 0.991 243 V HN 0.838 nan 8.190 nan 0.000 0.437 244 S N 4.449 120.231 115.700 0.137 0.000 2.457 244 S HA 0.641 5.112 4.470 0.001 0.000 0.289 244 S C -0.579 174.142 174.600 0.201 0.000 1.163 244 S CA -0.433 57.870 58.200 0.172 0.000 1.078 244 S CB 1.008 64.283 63.200 0.124 0.000 0.987 244 S HN 0.501 nan 8.310 nan 0.000 0.482 245 V N 8.439 128.474 119.914 0.202 0.000 2.378 245 V HA 0.447 4.568 4.120 0.001 0.000 0.288 245 V C -2.153 173.967 176.094 0.044 0.000 1.016 245 V CA -2.030 60.351 62.300 0.135 0.000 0.840 245 V CB 1.590 33.524 31.823 0.184 0.000 0.994 245 V HN 0.751 nan 8.190 nan 0.000 0.431 246 P HA 0.153 nan 4.420 nan 0.000 0.269 246 P C -0.309 176.944 177.300 -0.079 0.000 1.252 246 P CA 0.293 63.401 63.100 0.014 0.000 0.780 246 P CB 0.674 32.424 31.700 0.083 0.000 0.829 247 S N 2.294 117.870 115.700 -0.206 0.000 2.509 247 S HA 0.684 5.154 4.470 0.001 0.000 0.297 247 S C 1.082 175.498 174.600 -0.307 0.000 1.118 247 S CA -0.329 57.572 58.200 -0.498 0.000 1.074 247 S CB 1.997 64.337 63.200 -1.434 0.000 1.038 247 S HN 0.582 nan 8.310 nan 0.000 0.498 248 G N 1.495 110.201 108.800 -0.157 0.000 2.482 248 G HA2 0.042 4.002 3.960 0.001 0.000 0.184 248 G HA3 0.042 4.002 3.960 0.001 0.000 0.184 248 G C 0.718 175.805 174.900 0.312 0.000 1.331 248 G CA -0.098 45.054 45.100 0.087 0.000 0.668 248 G HN 0.574 nan 8.290 nan 0.000 0.631 249 N N -0.658 118.207 118.700 0.275 0.000 2.336 249 N HA 0.129 4.869 4.740 0.001 0.000 0.189 249 N C 0.259 176.118 175.510 0.581 0.000 1.113 249 N CA -0.491 52.813 53.050 0.423 0.000 0.858 249 N CB -0.227 38.454 38.487 0.323 0.000 0.970 249 N HN 0.165 nan 8.380 nan 0.000 0.471 250 F N -2.329 117.769 119.950 0.245 0.000 3.034 250 F HA -0.225 4.303 4.527 0.001 0.000 0.286 250 F C 1.583 177.545 175.800 0.270 0.000 0.804 250 F CA 0.596 58.763 58.000 0.280 0.000 1.161 250 F CB -1.626 37.596 39.000 0.370 0.000 1.317 250 F HN 0.172 nan 8.300 nan 0.000 0.453 251 G N -0.524 108.498 108.800 0.370 0.000 2.464 251 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 251 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 251 G C 1.325 176.417 174.900 0.320 0.000 1.138 251 G CA 0.984 46.281 45.100 0.327 0.000 0.793 251 G HN 0.427 nan 8.290 nan 0.000 0.539 252 D N 0.368 120.963 120.400 0.325 0.000 2.084 252 D HA -0.087 4.554 4.640 0.001 0.000 0.196 252 D C 2.425 178.882 176.300 0.262 0.000 0.985 252 D CA 0.532 54.716 54.000 0.306 0.000 0.826 252 D CB -0.279 40.566 40.800 0.076 0.000 0.978 252 D HN 0.138 nan 8.370 nan 0.000 0.456 253 L N 0.845 122.179 121.223 0.184 0.000 2.042 253 L HA -0.097 4.244 4.340 0.001 0.000 0.210 253 L C 2.451 179.342 176.870 0.036 0.000 1.076 253 L CA 2.895 57.807 54.840 0.120 0.000 0.749 253 L CB -1.383 40.804 42.059 0.213 0.000 0.893 253 L HN 0.220 nan 8.230 nan 0.000 0.432 254 T N -1.485 113.170 114.554 0.169 0.000 2.699 254 T HA -0.187 4.164 4.350 0.001 0.000 0.268 254 T C 1.818 176.530 174.700 0.021 0.000 1.036 254 T CA 2.305 64.486 62.100 0.134 0.000 1.147 254 T CB -0.779 68.207 68.868 0.197 0.000 0.862 254 T HN 0.483 nan 8.240 nan 0.000 0.446 255 A N 0.900 123.736 122.820 0.025 0.000 2.014 255 A HA 0.361 4.682 4.320 0.001 0.000 0.218 255 A C 2.777 180.169 177.584 -0.320 0.000 1.163 255 A CA 1.641 53.650 52.037 -0.046 0.000 0.652 255 A CB -0.955 18.097 19.000 0.087 0.000 0.808 255 A HN 0.598 nan 8.150 nan 0.000 0.449 256 G N -0.153 108.291 108.800 -0.594 0.000 2.402 256 G HA2 -0.062 3.899 3.960 0.001 0.000 0.216 256 G HA3 -0.062 3.899 3.960 0.001 0.000 0.216 256 G C 1.339 175.809 174.900 -0.716 0.000 1.162 256 G CA 0.913 45.264 45.100 -1.247 0.000 0.777 256 G HN 0.314 nan 8.290 nan 0.000 0.539 257 L N 0.509 121.385 121.223 -0.579 0.000 2.046 257 L HA 0.070 4.410 4.340 0.001 0.000 0.208 257 L C 2.962 179.894 176.870 0.102 0.000 1.077 257 L CA 1.017 55.744 54.840 -0.188 0.000 0.747 257 L CB -1.383 40.724 42.059 0.081 0.000 0.896 257 L HN 0.210 nan 8.230 nan 0.000 0.432 258 L N -0.425 120.826 121.223 0.046 0.000 2.079 258 L HA -0.215 4.126 4.340 0.001 0.000 0.210 258 L C 2.723 179.730 176.870 0.228 0.000 1.081 258 L CA 1.157 56.075 54.840 0.130 0.000 0.752 258 L CB -0.616 41.463 42.059 0.035 0.000 0.896 258 L HN 0.250 nan 8.230 nan 0.000 0.433 259 A N -0.061 122.855 122.820 0.160 0.000 1.902 259 A HA -0.252 4.068 4.320 0.001 0.000 0.217 259 A C 2.404 180.143 177.584 0.259 0.000 1.181 259 A CA 1.936 54.170 52.037 0.329 0.000 0.623 259 A CB -0.392 18.722 19.000 0.191 0.000 0.818 259 A HN 0.343 nan 8.150 nan 0.000 0.443 260 K N 0.388 120.917 120.400 0.214 0.000 2.057 260 K HA -0.128 4.192 4.320 0.001 0.000 0.206 260 K C 2.198 178.997 176.600 0.331 0.000 1.050 260 K CA 1.638 58.068 56.287 0.237 0.000 0.935 260 K CB -0.202 32.462 32.500 0.273 0.000 0.715 260 K HN 0.585 nan 8.250 nan 0.000 0.439 261 S N 0.722 116.665 115.700 0.405 0.000 2.442 261 S HA -0.105 4.366 4.470 0.001 0.000 0.236 261 S C 1.862 176.594 174.600 0.220 0.000 1.007 261 S CA 0.809 59.193 58.200 0.306 0.000 0.965 261 S CB -0.388 62.899 63.200 0.145 0.000 0.773 261 S HN 0.321 nan 8.310 nan 0.000 0.504 262 L N 0.488 121.887 121.223 0.293 0.000 2.313 262 L HA 0.258 4.599 4.340 0.001 0.000 0.214 262 L C 2.101 179.194 176.870 0.371 0.000 1.119 262 L CA 0.730 55.770 54.840 0.335 0.000 0.809 262 L CB -0.422 41.987 42.059 0.584 0.000 0.933 262 L HN 0.660 nan 8.230 nan 0.000 0.449 263 G N -0.313 108.660 108.800 0.288 0.000 2.318 263 G HA2 -0.197 3.763 3.960 0.001 0.000 0.172 263 G HA3 -0.197 3.763 3.960 0.001 0.000 0.172 263 G C -0.132 174.831 174.900 0.106 0.000 1.002 263 G CA -0.443 44.785 45.100 0.214 0.000 0.697 263 G HN 0.062 nan 8.290 nan 0.000 0.483 264 L N 3.989 125.217 121.223 0.009 0.000 2.534 264 L HA 0.455 4.796 4.340 0.001 0.000 0.271 264 L C -1.516 175.281 176.870 -0.122 0.000 1.178 264 L CA -1.793 52.890 54.840 -0.263 0.000 0.907 264 L CB 0.024 41.663 42.059 -0.701 0.000 1.164 264 L HN 0.050 nan 8.230 nan 0.000 0.482 265 P HA 0.060 nan 4.420 nan 0.000 0.269 265 P C -1.253 175.977 177.300 -0.118 0.000 1.252 265 P CA 0.051 63.101 63.100 -0.084 0.000 0.780 265 P CB 0.691 32.350 31.700 -0.069 0.000 0.829 266 V N 5.417 125.251 119.914 -0.133 0.000 2.462 266 V HA 0.145 4.265 4.120 0.001 0.000 0.288 266 V C 1.670 177.624 176.094 -0.234 0.000 1.020 266 V CA -0.525 61.632 62.300 -0.238 0.000 0.857 266 V CB 1.487 33.083 31.823 -0.377 0.000 1.013 266 V HN 0.472 nan 8.190 nan 0.000 0.431 267 K N 3.729 124.010 120.400 -0.197 0.000 2.009 267 K HA -0.010 4.311 4.320 0.001 0.000 0.210 267 K C 0.940 177.440 176.600 -0.168 0.000 1.049 267 K CA 1.517 57.712 56.287 -0.153 0.000 0.929 267 K CB 0.261 32.696 32.500 -0.110 0.000 0.714 267 K HN 0.613 nan 8.250 nan 0.000 0.440 268 R N -0.969 119.400 120.500 -0.220 0.000 2.629 268 R HA 0.248 4.589 4.340 0.001 0.000 0.266 268 R C -1.793 174.379 176.300 -0.214 0.000 1.051 268 R CA -0.630 55.384 56.100 -0.144 0.000 0.895 268 R CB 0.870 31.131 30.300 -0.064 0.000 1.246 268 R HN -0.053 nan 8.270 nan 0.000 0.459 269 F N 3.499 123.472 119.950 0.037 0.000 2.492 269 F HA 0.584 5.112 4.527 0.001 0.000 0.327 269 F C 0.108 175.983 175.800 0.125 0.000 1.079 269 F CA -0.665 57.392 58.000 0.095 0.000 0.967 269 F CB 1.786 40.869 39.000 0.137 0.000 1.169 269 F HN 0.192 nan 8.300 nan 0.000 0.472 270 I N 2.433 123.205 120.570 0.336 0.000 2.436 270 I HA 0.451 4.622 4.170 0.001 0.000 0.289 270 I C -0.625 175.657 176.117 0.274 0.000 1.010 270 I CA -0.932 60.515 61.300 0.244 0.000 1.098 270 I CB 1.916 39.990 38.000 0.123 0.000 1.266 270 I HN 0.624 nan 8.210 nan 0.000 0.434 271 A N 5.646 128.654 122.820 0.312 0.000 2.478 271 A HA 0.738 5.058 4.320 0.001 0.000 0.327 271 A C 0.169 177.885 177.584 0.219 0.000 1.431 271 A CA -0.403 51.812 52.037 0.296 0.000 1.014 271 A CB 0.101 19.406 19.000 0.509 0.000 1.143 271 A HN 0.758 nan 8.150 nan 0.000 0.532 272 A N 3.240 126.130 122.820 0.117 0.000 2.252 272 A HA 0.672 4.992 4.320 0.001 0.000 0.309 272 A C 0.645 178.257 177.584 0.047 0.000 1.285 272 A CA 0.235 52.323 52.037 0.085 0.000 0.900 272 A CB -0.028 19.007 19.000 0.059 0.000 1.157 272 A HN 1.205 nan 8.150 nan 0.000 0.536 273 T N 0.192 114.790 114.554 0.073 0.000 2.910 273 T HA 0.639 4.989 4.350 0.001 0.000 0.287 273 T C 0.270 174.995 174.700 0.042 0.000 1.050 273 T CA -0.565 61.570 62.100 0.059 0.000 1.011 273 T CB 1.033 69.970 68.868 0.115 0.000 1.195 273 T HN 0.662 nan 8.240 nan 0.000 0.540 274 N N -0.023 118.696 118.700 0.031 0.000 2.562 274 N HA 0.244 4.985 4.740 0.001 0.000 0.299 274 N C 1.806 177.321 175.510 0.009 0.000 1.344 274 N CA -0.039 53.015 53.050 0.008 0.000 0.914 274 N CB -0.849 37.634 38.487 -0.007 0.000 1.101 274 N HN 0.618 nan 8.380 nan 0.000 0.527 275 V N -3.387 116.526 119.914 -0.002 0.000 2.568 275 V HA -0.076 4.045 4.120 0.001 0.000 0.253 275 V C 0.295 176.382 176.094 -0.012 0.000 1.072 275 V CA 1.191 63.486 62.300 -0.009 0.000 1.084 275 V CB -1.057 30.759 31.823 -0.012 0.000 0.676 275 V HN 0.454 nan 8.190 nan 0.000 0.469 276 N N 3.284 121.986 118.700 0.003 0.000 2.971 276 N HA 0.066 4.807 4.740 0.001 0.000 0.294 276 N C -0.215 175.287 175.510 -0.012 0.000 1.210 276 N CA 0.609 53.658 53.050 -0.002 0.000 1.157 276 N CB 0.081 38.588 38.487 0.034 0.000 1.450 276 N HN 0.802 nan 8.380 nan 0.000 0.527 277 D N -0.567 119.804 120.400 -0.048 0.000 3.168 277 D HA 0.066 4.707 4.640 0.001 0.000 0.255 277 D C 0.810 177.006 176.300 -0.174 0.000 1.314 277 D CA -0.421 53.539 54.000 -0.066 0.000 0.900 277 D CB -0.032 40.742 40.800 -0.044 0.000 1.072 277 D HN -0.022 nan 8.370 nan 0.000 0.487 278 T N -0.743 113.654 114.554 -0.262 0.000 2.777 278 T HA -0.115 4.236 4.350 0.001 0.000 0.266 278 T C 1.978 176.314 174.700 -0.607 0.000 1.040 278 T CA 0.914 62.699 62.100 -0.525 0.000 1.141 278 T CB 0.037 68.471 68.868 -0.724 0.000 0.868 278 T HN 0.189 nan 8.240 nan 0.000 0.444 279 V N 2.037 121.637 119.914 -0.524 0.000 2.283 279 V HA -0.061 4.060 4.120 0.001 0.000 0.243 279 V C -0.510 175.392 176.094 -0.320 0.000 1.039 279 V CA 1.519 63.468 62.300 -0.585 0.000 1.016 279 V CB -1.459 29.880 31.823 -0.808 0.000 0.650 279 V HN 0.313 nan 8.190 nan 0.000 0.449 280 P HA -0.181 nan 4.420 nan 0.000 0.216 280 P C 1.708 178.798 177.300 -0.349 0.000 1.157 280 P CA 1.626 64.561 63.100 -0.274 0.000 0.880 280 P CB -0.121 31.575 31.700 -0.007 0.000 0.791 281 R N -2.281 118.097 120.500 -0.203 0.000 2.120 281 R HA -0.118 4.223 4.340 0.001 0.000 0.234 281 R C 2.246 178.484 176.300 -0.103 0.000 1.123 281 R CA 1.059 57.066 56.100 -0.155 0.000 0.975 281 R CB -0.889 29.319 30.300 -0.154 0.000 0.866 281 R HN 0.220 nan 8.270 nan 0.000 0.446 282 F N 1.154 120.946 119.950 -0.264 0.000 2.084 282 F HA -0.126 4.402 4.527 0.001 0.000 0.296 282 F C 1.633 177.373 175.800 -0.100 0.000 1.111 282 F CA 1.174 59.091 58.000 -0.137 0.000 1.224 282 F CB -0.202 38.742 39.000 -0.093 0.000 0.991 282 F HN -0.138 nan 8.300 nan 0.000 0.471 283 L N 0.157 121.199 121.223 -0.302 0.000 2.549 283 L HA -0.183 4.158 4.340 0.001 0.000 0.230 283 L C 2.339 179.003 176.870 -0.343 0.000 1.162 283 L CA 1.364 55.968 54.840 -0.392 0.000 0.834 283 L CB -1.534 40.215 42.059 -0.516 0.000 0.947 283 L HN 0.367 nan 8.230 nan 0.000 0.452 284 H N -0.285 118.558 119.070 -0.378 0.000 2.418 284 H HA 0.025 4.581 4.556 0.001 0.000 0.300 284 H C 1.056 176.316 175.328 -0.114 0.000 1.041 284 H CA 1.625 57.585 56.048 -0.146 0.000 1.364 284 H CB 0.660 30.369 29.762 -0.088 0.000 1.439 284 H HN 0.462 nan 8.280 nan 0.000 0.540 285 D N -1.733 118.710 120.400 0.071 0.000 2.503 285 D HA 0.107 4.748 4.640 0.001 0.000 0.218 285 D C 1.281 177.521 176.300 -0.100 0.000 1.183 285 D CA 0.621 54.643 54.000 0.038 0.000 0.827 285 D CB 0.225 41.089 40.800 0.107 0.000 1.034 285 D HN 0.483 nan 8.370 nan 0.000 0.510 286 G N -0.210 108.397 108.800 -0.321 0.000 2.175 286 G HA2 -0.264 3.696 3.960 0.001 0.000 0.265 286 G HA3 -0.264 3.696 3.960 0.001 0.000 0.265 286 G C 0.437 175.264 174.900 -0.121 0.000 0.979 286 G CA 0.794 45.592 45.100 -0.503 0.000 0.663 286 G HN 0.912 nan 8.290 nan 0.000 0.533 287 Q N 0.149 119.997 119.800 0.079 0.000 2.314 287 Q HA 0.541 4.882 4.340 0.001 0.000 0.259 287 Q C -0.132 176.176 176.000 0.514 0.000 0.951 287 Q CA -0.495 55.477 55.803 0.281 0.000 0.909 287 Q CB 0.856 29.670 28.738 0.127 0.000 1.236 287 Q HN 0.927 nan 8.270 nan 0.000 0.444 288 W N 3.792 125.293 121.300 0.335 0.000 2.367 288 W HA 0.486 5.147 4.660 0.001 0.000 0.329 288 W C -0.793 175.733 176.519 0.012 0.000 1.066 288 W CA -0.010 57.388 57.345 0.088 0.000 1.435 288 W CB 0.711 30.069 29.460 -0.170 0.000 1.296 288 W HN 0.815 nan 8.180 nan 0.000 0.401 289 S N 6.770 122.263 115.700 -0.345 0.000 2.496 289 S HA 0.346 4.816 4.470 0.001 0.000 0.221 289 S C -2.540 171.825 174.600 -0.392 0.000 1.260 289 S CA -1.201 56.841 58.200 -0.263 0.000 1.181 289 S CB 1.551 64.689 63.200 -0.104 0.000 1.136 289 S HN 0.348 nan 8.310 nan 0.000 0.467 290 P HA 0.298 nan 4.420 nan 0.000 0.276 290 P C -0.632 176.558 177.300 -0.184 0.000 1.235 290 P CA -0.322 62.558 63.100 -0.367 0.000 0.772 290 P CB 0.814 32.332 31.700 -0.304 0.000 0.871 291 K N 1.608 121.917 120.400 -0.152 0.000 2.090 291 K HA 0.569 4.890 4.320 0.001 0.000 0.249 291 K C 0.412 176.980 176.600 -0.052 0.000 0.995 291 K CA -0.859 55.375 56.287 -0.088 0.000 0.914 291 K CB 0.782 33.234 32.500 -0.079 0.000 1.057 291 K HN 0.478 nan 8.250 nan 0.000 0.462 292 A N 1.409 124.212 122.820 -0.028 0.000 2.531 292 A HA 0.063 4.383 4.320 0.001 0.000 0.236 292 A C -0.021 177.565 177.584 0.004 0.000 1.062 292 A CA 0.025 52.059 52.037 -0.006 0.000 0.760 292 A CB -0.265 18.735 19.000 -0.000 0.000 0.995 292 A HN 0.637 nan 8.150 nan 0.000 0.501 293 T N 2.186 116.756 114.554 0.026 0.000 2.946 293 T HA 0.263 4.614 4.350 0.001 0.000 0.311 293 T C 0.191 174.915 174.700 0.040 0.000 1.063 293 T CA 0.566 62.694 62.100 0.046 0.000 1.139 293 T CB 0.284 69.203 68.868 0.085 0.000 0.994 293 T HN 0.682 nan 8.240 nan 0.000 0.547 294 Q N 1.022 120.845 119.800 0.039 0.000 2.321 294 Q HA 0.578 4.919 4.340 0.001 0.000 0.270 294 Q C -0.924 175.100 176.000 0.040 0.000 1.032 294 Q CA -0.882 54.940 55.803 0.031 0.000 0.784 294 Q CB 1.344 30.090 28.738 0.013 0.000 1.264 294 Q HN 0.821 nan 8.270 nan 0.000 0.448 295 A N 2.931 125.778 122.820 0.044 0.000 2.488 295 A HA 0.470 4.791 4.320 0.001 0.000 0.249 295 A C 0.215 177.815 177.584 0.026 0.000 1.083 295 A CA 0.562 52.629 52.037 0.050 0.000 0.768 295 A CB 0.176 19.210 19.000 0.057 0.000 1.017 295 A HN 0.843 nan 8.150 nan 0.000 0.496 296 T N -0.381 114.183 114.554 0.017 0.000 2.645 296 T HA 0.532 4.883 4.350 0.001 0.000 0.273 296 T C 0.932 175.603 174.700 -0.048 0.000 0.960 296 T CA -0.517 61.572 62.100 -0.019 0.000 1.051 296 T CB 0.241 69.088 68.868 -0.035 0.000 1.366 296 T HN 0.254 nan 8.240 nan 0.000 0.536 297 L N 0.913 122.074 121.223 -0.104 0.000 2.240 297 L HA 0.135 4.476 4.340 0.001 0.000 0.211 297 L C 1.594 178.257 176.870 -0.345 0.000 1.106 297 L CA 0.890 55.628 54.840 -0.170 0.000 0.793 297 L CB -0.205 41.747 42.059 -0.177 0.000 0.927 297 L HN 0.802 nan 8.230 nan 0.000 0.446 298 S N -0.313 115.160 115.700 -0.377 0.000 3.208 298 S HA 0.076 4.547 4.470 0.001 0.000 0.195 298 S C 1.127 175.673 174.600 -0.090 0.000 1.394 298 S CA -0.748 57.034 58.200 -0.697 0.000 1.127 298 S CB -0.574 62.291 63.200 -0.558 0.000 1.282 298 S HN 0.376 nan 8.310 nan 0.000 0.513 299 N N 2.800 121.527 118.700 0.045 0.000 2.137 299 N HA -0.241 4.500 4.740 0.001 0.000 0.190 299 N C 1.609 177.255 175.510 0.226 0.000 1.017 299 N CA 1.529 54.680 53.050 0.169 0.000 0.859 299 N CB -0.638 37.969 38.487 0.199 0.000 1.002 299 N HN 0.655 nan 8.380 nan 0.000 0.428 300 A N 0.664 123.713 122.820 0.381 0.000 2.125 300 A HA 0.037 4.358 4.320 0.001 0.000 0.219 300 A C 1.998 179.614 177.584 0.054 0.000 1.156 300 A CA 0.829 52.941 52.037 0.125 0.000 0.671 300 A CB -0.412 18.536 19.000 -0.087 0.000 0.794 300 A HN 0.355 nan 8.150 nan 0.000 0.459 301 M N 0.055 119.761 119.600 0.178 0.000 2.475 301 M HA 0.106 4.587 4.480 0.001 0.000 0.283 301 M C -0.797 175.554 176.300 0.086 0.000 1.165 301 M CA -0.080 55.284 55.300 0.107 0.000 0.976 301 M CB 0.450 33.139 32.600 0.149 0.000 1.428 301 M HN 0.028 nan 8.290 nan 0.000 0.495 302 D N 1.779 122.230 120.400 0.086 0.000 2.713 302 D HA 0.183 4.823 4.640 0.001 0.000 0.229 302 D C -0.611 175.781 176.300 0.153 0.000 1.136 302 D CA 0.360 54.422 54.000 0.104 0.000 1.010 302 D CB 0.315 41.182 40.800 0.112 0.000 1.084 302 D HN 0.001 nan 8.370 nan 0.000 0.495 303 V N 0.789 120.799 119.914 0.160 0.000 2.487 303 V HA 0.186 4.306 4.120 0.001 0.000 0.298 303 V C 1.020 177.220 176.094 0.177 0.000 1.028 303 V CA -0.510 61.942 62.300 0.253 0.000 0.860 303 V CB 2.031 34.028 31.823 0.289 0.000 0.991 303 V HN 0.170 nan 8.190 nan 0.000 0.427 304 S N 2.423 118.211 115.700 0.146 0.000 2.502 304 S HA 0.143 4.614 4.470 0.001 0.000 0.215 304 S C 0.547 175.157 174.600 0.017 0.000 1.009 304 S CA 0.061 58.283 58.200 0.037 0.000 0.908 304 S CB 0.149 63.356 63.200 0.011 0.000 0.801 304 S HN 0.816 nan 8.310 nan 0.000 0.505 305 Q N 2.196 122.076 119.800 0.134 0.000 2.907 305 Q HA 0.245 4.585 4.340 0.001 0.000 0.262 305 Q C -2.875 173.288 176.000 0.271 0.000 0.997 305 Q CA -1.910 54.012 55.803 0.199 0.000 0.797 305 Q CB 1.304 30.147 28.738 0.175 0.000 1.228 305 Q HN 0.182 nan 8.270 nan 0.000 0.466 306 P HA -0.069 nan 4.420 nan 0.000 0.260 306 P C 0.147 177.634 177.300 0.311 0.000 1.207 306 P CA 0.456 63.766 63.100 0.350 0.000 0.780 306 P CB 0.716 32.580 31.700 0.272 0.000 0.789 307 N N 4.320 123.192 118.700 0.287 0.000 2.309 307 N HA -0.129 4.612 4.740 0.001 0.000 0.182 307 N C 1.161 176.778 175.510 0.178 0.000 1.018 307 N CA 1.057 54.222 53.050 0.191 0.000 0.876 307 N CB -0.138 38.445 38.487 0.160 0.000 0.972 307 N HN 0.259 nan 8.380 nan 0.000 0.434 308 N N -0.614 118.243 118.700 0.261 0.000 2.398 308 N HA -0.072 4.668 4.740 0.001 0.000 0.188 308 N C 1.034 176.686 175.510 0.237 0.000 1.122 308 N CA -0.040 53.156 53.050 0.243 0.000 0.866 308 N CB -0.195 38.475 38.487 0.305 0.000 0.970 308 N HN 0.466 nan 8.380 nan 0.000 0.462 309 W N 2.707 124.004 121.300 -0.005 0.000 2.338 309 W HA -0.077 4.584 4.660 0.001 0.000 0.304 309 W C -1.270 175.158 176.519 -0.150 0.000 1.212 309 W CA 1.176 58.437 57.345 -0.139 0.000 1.264 309 W CB -0.721 28.571 29.460 -0.279 0.000 1.142 309 W HN 0.072 nan 8.180 nan 0.000 0.512 310 P HA -0.159 nan 4.420 nan 0.000 0.218 310 P C 1.357 178.511 177.300 -0.244 0.000 1.148 310 P CA 2.131 65.059 63.100 -0.286 0.000 0.822 310 P CB -0.323 31.271 31.700 -0.177 0.000 0.784 311 R N -0.907 119.542 120.500 -0.086 0.000 2.148 311 R HA -0.030 4.310 4.340 0.001 0.000 0.223 311 R C 1.936 178.266 176.300 0.051 0.000 1.088 311 R CA 0.913 57.065 56.100 0.086 0.000 0.985 311 R CB -0.786 29.650 30.300 0.228 0.000 0.880 311 R HN 0.136 nan 8.270 nan 0.000 0.451 312 V N 1.049 120.869 119.914 -0.156 0.000 2.379 312 V HA -0.175 3.946 4.120 0.001 0.000 0.245 312 V C 1.890 177.811 176.094 -0.289 0.000 1.044 312 V CA 1.653 63.832 62.300 -0.202 0.000 1.036 312 V CB -0.349 31.153 31.823 -0.535 0.000 0.664 312 V HN 0.317 nan 8.190 nan 0.000 0.453 313 E N 0.109 119.953 120.200 -0.592 0.000 2.110 313 E HA -0.278 4.073 4.350 0.001 0.000 0.193 313 E C 2.204 178.682 176.600 -0.203 0.000 0.988 313 E CA 1.415 57.555 56.400 -0.433 0.000 0.804 313 E CB -0.081 29.325 29.700 -0.491 0.000 0.745 313 E HN 0.575 nan 8.360 nan 0.000 0.458 314 E N 0.974 121.007 120.200 -0.279 0.000 2.106 314 E HA -0.164 4.186 4.350 0.001 0.000 0.192 314 E C 1.871 178.306 176.600 -0.276 0.000 0.984 314 E CA 0.495 56.664 56.400 -0.385 0.000 0.806 314 E CB -0.085 29.119 29.700 -0.826 0.000 0.750 314 E HN 0.118 nan 8.360 nan 0.000 0.458 315 L N -0.560 120.633 121.223 -0.050 0.000 2.093 315 L HA -0.003 4.337 4.340 0.001 0.000 0.208 315 L C 1.830 178.661 176.870 -0.064 0.000 1.085 315 L CA 1.536 56.441 54.840 0.107 0.000 0.755 315 L CB -0.516 41.709 42.059 0.276 0.000 0.904 315 L HN 0.150 nan 8.230 nan 0.000 0.435 316 F N -0.492 119.414 119.950 -0.075 0.000 2.186 316 F HA -0.104 4.424 4.527 0.001 0.000 0.299 316 F C 2.731 178.484 175.800 -0.078 0.000 1.090 316 F CA 1.218 59.234 58.000 0.027 0.000 1.307 316 F CB -0.494 38.589 39.000 0.139 0.000 1.019 316 F HN 0.031 nan 8.300 nan 0.000 0.489 317 R N 0.852 121.400 120.500 0.080 0.000 2.070 317 R HA -0.122 4.219 4.340 0.001 0.000 0.232 317 R C 2.327 178.577 176.300 -0.084 0.000 1.138 317 R CA 1.650 57.746 56.100 -0.007 0.000 0.936 317 R CB -0.429 29.840 30.300 -0.052 0.000 0.839 317 R HN 0.214 nan 8.270 nan 0.000 0.429 318 R N 0.024 120.447 120.500 -0.128 0.000 2.075 318 R HA -0.017 4.324 4.340 0.001 0.000 0.232 318 R C 2.142 178.306 176.300 -0.226 0.000 1.126 318 R CA 0.809 56.826 56.100 -0.139 0.000 0.963 318 R CB -0.133 30.123 30.300 -0.073 0.000 0.858 318 R HN -0.013 nan 8.270 nan 0.000 0.435 319 K N 0.871 121.014 120.400 -0.428 0.000 2.525 319 K HA 0.046 4.367 4.320 0.001 0.000 0.192 319 K C 0.395 176.642 176.600 -0.589 0.000 1.029 319 K CA 0.281 56.126 56.287 -0.737 0.000 1.029 319 K CB -0.066 31.415 32.500 -1.698 0.000 0.814 319 K HN 0.261 nan 8.250 nan 0.000 0.503 320 I N 0.578 120.971 120.570 -0.296 0.000 6.341 320 I HA -0.278 3.892 4.170 0.001 0.000 0.126 320 I C -0.586 175.590 176.117 0.097 0.000 1.823 320 I CA 0.216 61.475 61.300 -0.069 0.000 2.045 320 I CB -1.389 36.592 38.000 -0.032 0.000 3.471 320 I HN 0.049 nan 8.210 nan 0.000 0.172 321 W N 1.179 122.470 121.300 -0.015 0.000 2.509 321 W HA 0.664 5.324 4.660 0.001 0.000 0.351 321 W C 0.616 177.260 176.519 0.209 0.000 1.107 321 W CA -0.366 56.956 57.345 -0.038 0.000 1.264 321 W CB 0.719 29.898 29.460 -0.468 0.000 1.312 321 W HN 0.260 nan 8.180 nan 0.000 0.608 322 Q N 2.236 122.316 119.800 0.466 0.000 2.290 322 Q HA 0.425 4.766 4.340 0.001 0.000 0.259 322 Q C 0.684 177.005 176.000 0.534 0.000 0.941 322 Q CA -0.384 55.659 55.803 0.400 0.000 0.912 322 Q CB 0.947 29.824 28.738 0.233 0.000 1.244 322 Q HN 0.672 nan 8.270 nan 0.000 0.441 323 L N 1.337 122.803 121.223 0.406 0.000 2.187 323 L HA -0.230 4.111 4.340 0.001 0.000 0.213 323 L C 2.683 179.691 176.870 0.229 0.000 1.100 323 L CA 2.114 57.053 54.840 0.164 0.000 0.765 323 L CB -0.100 41.952 42.059 -0.011 0.000 0.904 323 L HN 0.958 nan 8.230 nan 0.000 0.437 324 K N -0.448 120.075 120.400 0.205 0.000 2.360 324 K HA -0.171 4.150 4.320 0.001 0.000 0.201 324 K C 1.297 178.010 176.600 0.189 0.000 1.046 324 K CA 1.099 57.491 56.287 0.175 0.000 0.945 324 K CB -0.080 32.489 32.500 0.115 0.000 0.750 324 K HN 0.261 nan 8.250 nan 0.000 0.464 325 E N 0.910 121.251 120.200 0.235 0.000 2.481 325 E HA 0.030 4.381 4.350 0.001 0.000 0.195 325 E C 0.351 177.093 176.600 0.237 0.000 1.047 325 E CA 0.150 56.664 56.400 0.190 0.000 0.867 325 E CB 0.133 29.923 29.700 0.150 0.000 0.858 325 E HN 0.384 nan 8.360 nan 0.000 0.513 326 L N 1.668 123.089 121.223 0.330 0.000 2.278 326 L HA 0.259 4.600 4.340 0.001 0.000 0.287 326 L C 0.525 177.590 176.870 0.326 0.000 1.072 326 L CA -0.397 54.667 54.840 0.374 0.000 0.819 326 L CB 0.760 43.061 42.059 0.403 0.000 1.176 326 L HN -0.024 nan 8.230 nan 0.000 0.435 327 G N 3.725 112.665 108.800 0.234 0.000 2.569 327 G HA2 0.305 4.266 3.960 0.001 0.000 0.249 327 G HA3 0.305 4.266 3.960 0.001 0.000 0.249 327 G C -1.267 173.762 174.900 0.215 0.000 1.216 327 G CA -0.048 45.103 45.100 0.086 0.000 0.845 327 G HN 0.713 nan 8.290 nan 0.000 0.568 328 Y N -2.556 117.819 120.300 0.125 0.000 2.641 328 Y HA 0.747 5.298 4.550 0.001 0.000 0.333 328 Y C -0.497 175.454 175.900 0.085 0.000 1.174 328 Y CA -1.523 56.655 58.100 0.129 0.000 1.057 328 Y CB 0.956 39.505 38.460 0.148 0.000 1.322 328 Y HN 1.325 nan 8.280 nan 0.000 0.457 329 A N 1.040 124.052 122.820 0.320 0.000 2.573 329 A HA 0.807 5.128 4.320 0.001 0.000 0.299 329 A C -1.859 175.811 177.584 0.144 0.000 1.060 329 A CA -0.323 51.830 52.037 0.193 0.000 0.736 329 A CB 0.531 19.567 19.000 0.061 0.000 1.280 329 A HN 1.979 nan 8.150 nan 0.000 0.401 330 A N 1.378 124.263 122.820 0.109 0.000 2.271 330 A HA 0.703 5.024 4.320 0.001 0.000 0.317 330 A C -0.540 177.061 177.584 0.028 0.000 1.245 330 A CA -0.442 51.631 52.037 0.061 0.000 0.857 330 A CB 0.650 19.675 19.000 0.041 0.000 1.175 330 A HN 1.568 nan 8.150 nan 0.000 0.512 331 V N 4.266 124.188 119.914 0.013 0.000 2.459 331 V HA 0.322 4.442 4.120 0.001 0.000 0.295 331 V C -0.093 175.992 176.094 -0.016 0.000 1.029 331 V CA -0.806 61.490 62.300 -0.007 0.000 0.874 331 V CB 1.629 33.443 31.823 -0.016 0.000 0.985 331 V HN 1.038 nan 8.190 nan 0.000 0.438 332 D N 2.395 122.783 120.400 -0.020 0.000 2.423 332 D HA 0.109 4.750 4.640 0.001 0.000 0.255 332 D C 0.142 176.421 176.300 -0.035 0.000 1.174 332 D CA -0.437 53.548 54.000 -0.025 0.000 1.008 332 D CB 1.522 42.309 40.800 -0.021 0.000 1.101 332 D HN 0.367 nan 8.370 nan 0.000 0.516 333 D N -0.191 120.186 120.400 -0.038 0.000 2.144 333 D HA -0.163 4.478 4.640 0.001 0.000 0.200 333 D C 1.606 177.881 176.300 -0.041 0.000 0.978 333 D CA 1.020 54.991 54.000 -0.048 0.000 0.833 333 D CB -0.116 40.657 40.800 -0.046 0.000 0.961 333 D HN 0.674 nan 8.370 nan 0.000 0.470 334 E N 0.000 120.182 120.200 -0.031 0.000 2.051 334 E HA -0.153 4.198 4.350 0.001 0.000 0.192 334 E C 1.560 178.144 176.600 -0.026 0.000 0.991 334 E CA 1.382 57.766 56.400 -0.026 0.000 0.799 334 E CB 0.141 29.829 29.700 -0.020 0.000 0.748 334 E HN 0.122 nan 8.360 nan 0.000 0.449 335 T N 0.048 114.586 114.554 -0.026 0.000 2.867 335 T HA -0.103 4.248 4.350 0.001 0.000 0.268 335 T C 1.815 176.498 174.700 -0.028 0.000 1.057 335 T CA 1.527 63.612 62.100 -0.025 0.000 1.136 335 T CB -0.340 68.513 68.868 -0.025 0.000 0.874 335 T HN 0.226 nan 8.240 nan 0.000 0.466 336 T N 2.327 116.857 114.554 -0.040 0.000 2.674 336 T HA -0.134 4.216 4.350 0.001 0.000 0.265 336 T C 2.153 176.823 174.700 -0.050 0.000 1.039 336 T CA 1.225 63.294 62.100 -0.052 0.000 1.150 336 T CB -0.319 68.501 68.868 -0.081 0.000 0.864 336 T HN 0.469 nan 8.240 nan 0.000 0.427 337 Q N 0.472 120.243 119.800 -0.048 0.000 2.030 337 Q HA -0.144 4.197 4.340 0.001 0.000 0.204 337 Q C 2.720 178.701 176.000 -0.031 0.000 0.986 337 Q CA 1.191 56.968 55.803 -0.042 0.000 0.843 337 Q CB -0.148 28.568 28.738 -0.036 0.000 0.904 337 Q HN 0.419 nan 8.270 nan 0.000 0.420 338 Q N -0.316 119.470 119.800 -0.023 0.000 2.170 338 Q HA -0.114 4.227 4.340 0.001 0.000 0.203 338 Q C 2.076 178.071 176.000 -0.007 0.000 0.976 338 Q CA 1.475 57.269 55.803 -0.014 0.000 0.858 338 Q CB -0.219 28.512 28.738 -0.011 0.000 0.907 338 Q HN 0.406 nan 8.270 nan 0.000 0.433 339 T N 0.972 115.523 114.554 -0.004 0.000 2.821 339 T HA -0.059 4.292 4.350 0.001 0.000 0.267 339 T C 1.905 176.599 174.700 -0.011 0.000 1.046 339 T CA 0.926 63.040 62.100 0.023 0.000 1.139 339 T CB -0.076 68.815 68.868 0.038 0.000 0.871 339 T HN 0.216 nan 8.240 nan 0.000 0.454 340 M N 0.366 119.946 119.600 -0.034 0.000 2.175 340 M HA -0.024 4.457 4.480 0.001 0.000 0.264 340 M C 2.495 178.765 176.300 -0.049 0.000 1.063 340 M CA 1.206 56.474 55.300 -0.054 0.000 1.119 340 M CB -0.159 32.408 32.600 -0.056 0.000 1.377 340 M HN 0.029 nan 8.290 nan 0.000 0.415 341 R N 0.532 121.012 120.500 -0.033 0.000 2.073 341 R HA -0.131 4.210 4.340 0.001 0.000 0.234 341 R C 1.863 178.149 176.300 -0.023 0.000 1.134 341 R CA 1.510 57.595 56.100 -0.026 0.000 0.952 341 R CB -0.884 29.406 30.300 -0.017 0.000 0.850 341 R HN 0.559 nan 8.270 nan 0.000 0.433 342 E N 0.924 121.114 120.200 -0.016 0.000 2.038 342 E HA -0.163 4.187 4.350 0.001 0.000 0.195 342 E C 2.248 178.821 176.600 -0.044 0.000 1.000 342 E CA 1.169 57.565 56.400 -0.007 0.000 0.803 342 E CB -0.254 29.469 29.700 0.040 0.000 0.750 342 E HN 0.218 nan 8.360 nan 0.000 0.448 343 L N 1.084 122.241 121.223 -0.111 0.000 2.043 343 L HA -0.261 4.080 4.340 0.001 0.000 0.212 343 L C 2.707 179.554 176.870 -0.038 0.000 1.075 343 L CA 1.433 56.182 54.840 -0.152 0.000 0.752 343 L CB -0.507 41.439 42.059 -0.188 0.000 0.891 343 L HN 0.118 nan 8.230 nan 0.000 0.432 344 K N 0.371 120.747 120.400 -0.039 0.000 2.057 344 K HA -0.256 4.064 4.320 0.001 0.000 0.207 344 K C 2.024 178.620 176.600 -0.007 0.000 1.049 344 K CA 1.706 57.977 56.287 -0.025 0.000 0.931 344 K CB 0.028 32.508 32.500 -0.034 0.000 0.714 344 K HN 0.081 nan 8.250 nan 0.000 0.440 345 E N 0.854 121.048 120.200 -0.009 0.000 2.118 345 E HA -0.131 4.219 4.350 0.001 0.000 0.195 345 E C 1.768 178.374 176.600 0.010 0.000 0.992 345 E CA 1.165 57.566 56.400 0.001 0.000 0.804 345 E CB -0.072 29.629 29.700 0.001 0.000 0.741 345 E HN 0.353 nan 8.360 nan 0.000 0.458 346 L N -1.518 119.711 121.223 0.009 0.000 2.551 346 L HA 0.102 4.443 4.340 0.001 0.000 0.228 346 L C 1.289 178.187 176.870 0.045 0.000 1.153 346 L CA 0.544 55.397 54.840 0.021 0.000 0.851 346 L CB -0.187 41.874 42.059 0.003 0.000 0.959 346 L HN 0.393 nan 8.230 nan 0.000 0.451 347 G N -0.793 108.039 108.800 0.052 0.000 2.131 347 G HA2 -0.316 3.644 3.960 0.001 0.000 0.201 347 G HA3 -0.316 3.644 3.960 0.001 0.000 0.201 347 G C -0.380 174.605 174.900 0.143 0.000 1.000 347 G CA -0.435 44.708 45.100 0.071 0.000 0.680 347 G HN 0.243 nan 8.290 nan 0.000 0.514 348 Y N 1.386 121.668 120.300 -0.029 0.000 2.346 348 Y HA 0.609 5.159 4.550 0.001 0.000 0.332 348 Y C 0.214 176.098 175.900 -0.027 0.000 0.985 348 Y CA -0.557 57.532 58.100 -0.018 0.000 1.112 348 Y CB 1.681 40.134 38.460 -0.011 0.000 1.170 348 Y HN 0.103 nan 8.280 nan 0.000 0.447 349 T N 4.613 118.860 114.554 -0.512 0.000 2.794 349 T HA 0.443 4.793 4.350 0.001 0.000 0.296 349 T C -0.226 174.137 174.700 -0.561 0.000 0.949 349 T CA 0.029 61.885 62.100 -0.407 0.000 1.101 349 T CB 0.865 69.556 68.868 -0.296 0.000 0.905 349 T HN 0.610 nan 8.240 nan 0.000 0.516 350 S N 1.980 117.518 115.700 -0.269 0.000 2.900 350 S HA 0.763 5.234 4.470 0.001 0.000 0.320 350 S C -1.482 173.076 174.600 -0.070 0.000 1.130 350 S CA -0.799 57.323 58.200 -0.130 0.000 0.863 350 S CB 1.327 64.559 63.200 0.053 0.000 1.295 350 S HN 0.799 nan 8.310 nan 0.000 0.596 351 E N -0.490 119.703 120.200 -0.012 0.000 2.456 351 E HA 0.583 4.934 4.350 0.001 0.000 0.276 351 E C -2.643 173.885 176.600 -0.120 0.000 0.981 351 E CA -1.497 54.870 56.400 -0.056 0.000 0.814 351 E CB -0.011 29.692 29.700 0.004 0.000 1.382 351 E HN 0.182 nan 8.360 nan 0.000 0.459 352 P HA -0.274 nan 4.420 nan 0.000 0.217 352 P C 0.827 177.944 177.300 -0.305 0.000 1.162 352 P CA 2.015 64.901 63.100 -0.356 0.000 0.901 352 P CB -0.092 31.257 31.700 -0.586 0.000 0.793 353 H N -0.937 118.024 119.070 -0.182 0.000 2.290 353 H HA -0.078 4.478 4.556 0.001 0.000 0.298 353 H C 1.973 177.316 175.328 0.025 0.000 1.087 353 H CA 1.863 57.870 56.048 -0.069 0.000 1.291 353 H CB -1.072 28.667 29.762 -0.039 0.000 1.369 353 H HN 0.103 nan 8.280 nan 0.000 0.492 354 A N 1.297 124.247 122.820 0.216 0.000 1.969 354 A HA -0.025 4.295 4.320 0.001 0.000 0.218 354 A C 2.710 180.389 177.584 0.158 0.000 1.169 354 A CA 1.499 53.715 52.037 0.297 0.000 0.635 354 A CB -0.730 18.529 19.000 0.431 0.000 0.810 354 A HN 0.449 nan 8.150 nan 0.000 0.445 355 A N -0.379 122.470 122.820 0.050 0.000 1.908 355 A HA -0.034 4.287 4.320 0.001 0.000 0.218 355 A C 2.198 179.774 177.584 -0.014 0.000 1.181 355 A CA 1.821 53.847 52.037 -0.017 0.000 0.627 355 A CB -0.936 18.039 19.000 -0.042 0.000 0.818 355 A HN 0.404 nan 8.150 nan 0.000 0.445 356 V N -0.181 119.727 119.914 -0.010 0.000 2.343 356 V HA -0.265 3.855 4.120 0.001 0.000 0.247 356 V C 3.021 179.113 176.094 -0.002 0.000 1.051 356 V CA 1.987 64.280 62.300 -0.011 0.000 1.036 356 V CB -1.277 30.543 31.823 -0.005 0.000 0.654 356 V HN 0.631 nan 8.190 nan 0.000 0.451 357 A N -0.769 122.073 122.820 0.038 0.000 1.855 357 A HA -0.251 4.069 4.320 0.001 0.000 0.215 357 A C 2.183 179.736 177.584 -0.052 0.000 1.191 357 A CA 1.960 54.034 52.037 0.062 0.000 0.613 357 A CB -0.841 18.282 19.000 0.205 0.000 0.829 357 A HN 0.612 nan 8.150 nan 0.000 0.442 358 Y N 0.680 120.742 120.300 -0.398 0.000 2.165 358 Y HA -0.269 4.282 4.550 0.001 0.000 0.286 358 Y C 2.462 178.166 175.900 -0.327 0.000 1.155 358 Y CA 2.423 60.114 58.100 -0.680 0.000 1.164 358 Y CB -0.305 37.477 38.460 -1.129 0.000 0.978 358 Y HN 0.297 nan 8.280 nan 0.000 0.513 359 R N 0.839 121.186 120.500 -0.254 0.000 2.083 359 R HA -0.144 4.197 4.340 0.001 0.000 0.237 359 R C 2.330 178.482 176.300 -0.246 0.000 1.137 359 R CA 1.859 57.815 56.100 -0.240 0.000 0.951 359 R CB -1.149 29.097 30.300 -0.091 0.000 0.851 359 R HN 0.423 nan 8.270 nan 0.000 0.434 360 A N 0.206 122.928 122.820 -0.163 0.000 1.898 360 A HA -0.080 4.241 4.320 0.001 0.000 0.216 360 A C 2.066 179.556 177.584 -0.155 0.000 1.181 360 A CA 1.383 53.351 52.037 -0.114 0.000 0.620 360 A CB -0.683 18.296 19.000 -0.035 0.000 0.819 360 A HN 0.363 nan 8.150 nan 0.000 0.442 361 L N -0.380 120.724 121.223 -0.198 0.000 2.027 361 L HA -0.071 4.270 4.340 0.001 0.000 0.206 361 L C 2.383 179.080 176.870 -0.290 0.000 1.074 361 L CA 2.368 57.090 54.840 -0.198 0.000 0.745 361 L CB -0.606 41.362 42.059 -0.152 0.000 0.898 361 L HN 0.355 nan 8.230 nan 0.000 0.433 362 R N 0.136 120.332 120.500 -0.506 0.000 2.127 362 R HA -0.141 4.200 4.340 0.001 0.000 0.238 362 R C 1.517 177.648 176.300 -0.281 0.000 1.134 362 R CA 1.818 57.618 56.100 -0.501 0.000 0.975 362 R CB -0.705 29.097 30.300 -0.830 0.000 0.865 362 R HN 0.468 nan 8.270 nan 0.000 0.447 363 D N -0.495 119.762 120.400 -0.237 0.000 2.340 363 D HA -0.001 4.640 4.640 0.001 0.000 0.220 363 D C 0.645 176.870 176.300 -0.125 0.000 1.039 363 D CA 0.551 54.459 54.000 -0.154 0.000 0.866 363 D CB 0.468 41.191 40.800 -0.128 0.000 0.913 363 D HN 0.429 nan 8.370 nan 0.000 0.523 364 Q N -0.347 119.373 119.800 -0.133 0.000 2.113 364 Q HA 0.140 4.480 4.340 0.001 0.000 0.225 364 Q C -0.084 175.858 176.000 -0.097 0.000 0.786 364 Q CA -0.301 55.438 55.803 -0.107 0.000 0.989 364 Q CB 1.378 30.055 28.738 -0.102 0.000 1.174 364 Q HN 0.003 nan 8.270 nan 0.000 0.470 365 L N 2.698 123.853 121.223 -0.112 0.000 2.407 365 L HA 0.177 4.518 4.340 0.001 0.000 0.282 365 L C -0.416 176.409 176.870 -0.075 0.000 1.110 365 L CA 0.483 55.264 54.840 -0.098 0.000 0.863 365 L CB 0.004 41.991 42.059 -0.120 0.000 1.207 365 L HN 0.062 nan 8.230 nan 0.000 0.454 366 N N 6.487 125.152 118.700 -0.059 0.000 2.467 366 N HA 0.281 5.021 4.740 0.001 0.000 0.262 366 N C -2.365 173.125 175.510 -0.033 0.000 1.234 366 N CA -1.337 51.686 53.050 -0.045 0.000 0.952 366 N CB 0.289 38.752 38.487 -0.039 0.000 1.158 366 N HN 0.482 nan 8.380 nan 0.000 0.463 367 P HA -0.027 nan 4.420 nan 0.000 0.265 367 P C 0.621 177.916 177.300 -0.009 0.000 1.193 367 P CA 0.531 63.623 63.100 -0.015 0.000 0.765 367 P CB 0.702 32.393 31.700 -0.014 0.000 0.823 368 G N 2.080 110.881 108.800 0.002 0.000 2.241 368 G HA2 -0.192 3.768 3.960 0.001 0.000 0.244 368 G HA3 -0.192 3.768 3.960 0.001 0.000 0.244 368 G C -0.073 174.837 174.900 0.017 0.000 0.998 368 G CA -0.147 44.958 45.100 0.007 0.000 0.621 368 G HN 0.608 nan 8.290 nan 0.000 0.519 369 E N -0.539 119.670 120.200 0.014 0.000 2.248 369 E HA 0.600 4.950 4.350 0.001 0.000 0.272 369 E C -1.016 175.626 176.600 0.071 0.000 1.008 369 E CA -0.964 55.451 56.400 0.025 0.000 0.856 369 E CB 1.665 31.357 29.700 -0.015 0.000 1.120 369 E HN 0.243 nan 8.360 nan 0.000 0.397 370 Y N 0.459 120.731 120.300 -0.047 0.000 2.341 370 Y HA 0.501 5.051 4.550 0.001 0.000 0.337 370 Y C -0.058 175.818 175.900 -0.041 0.000 1.014 370 Y CA -0.556 57.520 58.100 -0.040 0.000 1.111 370 Y CB 1.565 39.997 38.460 -0.047 0.000 1.194 370 Y HN 0.554 nan 8.280 nan 0.000 0.462 371 G N 5.990 114.446 108.800 -0.573 0.000 2.400 371 G HA2 0.621 4.581 3.960 0.001 0.000 0.333 371 G HA3 0.621 4.581 3.960 0.001 0.000 0.333 371 G C -1.883 172.768 174.900 -0.414 0.000 1.143 371 G CA -0.815 44.066 45.100 -0.365 0.000 0.914 371 G HN 0.680 nan 8.290 nan 0.000 0.480 372 L N 1.153 122.282 121.223 -0.157 0.000 2.408 372 L HA 0.610 4.951 4.340 0.001 0.000 0.268 372 L C -1.101 175.803 176.870 0.056 0.000 0.986 372 L CA -0.965 53.816 54.840 -0.098 0.000 0.820 372 L CB 2.230 44.240 42.059 -0.081 0.000 1.303 372 L HN 0.685 nan 8.230 nan 0.000 0.411 373 F N 1.913 121.828 119.950 -0.058 0.000 2.547 373 F HA 0.628 5.156 4.527 0.001 0.000 0.316 373 F C -1.119 174.662 175.800 -0.031 0.000 1.121 373 F CA -1.149 56.846 58.000 -0.009 0.000 0.911 373 F CB 0.855 39.889 39.000 0.057 0.000 1.179 373 F HN 0.112 nan 8.300 nan 0.000 0.443 374 L N 3.887 125.099 121.223 -0.018 0.000 2.360 374 L HA 0.366 4.707 4.340 0.001 0.000 0.276 374 L C 0.910 177.754 176.870 -0.043 0.000 1.121 374 L CA -0.441 54.295 54.840 -0.172 0.000 0.845 374 L CB 0.760 42.673 42.059 -0.244 0.000 1.143 374 L HN 1.076 nan 8.230 nan 0.000 0.452 375 G N 1.034 109.778 108.800 -0.094 0.000 3.064 375 G HA2 0.181 4.142 3.960 0.001 0.000 0.286 375 G HA3 0.181 4.142 3.960 0.001 0.000 0.286 375 G C 1.202 176.231 174.900 0.215 0.000 0.834 375 G CA -0.113 45.091 45.100 0.173 0.000 1.856 375 G HN 0.828 nan 8.290 nan 0.000 0.559 376 T N -1.696 112.957 114.554 0.165 0.000 2.946 376 T HA 0.265 4.616 4.350 0.001 0.000 0.271 376 T C 0.961 175.917 174.700 0.427 0.000 1.104 376 T CA 1.105 63.340 62.100 0.227 0.000 1.114 376 T CB 0.024 68.989 68.868 0.160 0.000 0.867 376 T HN 1.159 nan 8.240 nan 0.000 0.513 377 A N -0.169 122.921 122.820 0.450 0.000 2.599 377 A HA 0.490 4.811 4.320 0.001 0.000 0.294 377 A C -0.863 176.792 177.584 0.118 0.000 1.055 377 A CA -0.902 51.366 52.037 0.385 0.000 0.683 377 A CB 0.456 19.657 19.000 0.335 0.000 1.278 377 A HN 0.369 nan 8.150 nan 0.000 0.412 378 H N 1.962 120.835 119.070 -0.327 0.000 2.964 378 H HA 0.158 4.715 4.556 0.001 0.000 0.328 378 H C -1.789 173.322 175.328 -0.362 0.000 1.030 378 H CA -0.753 54.747 56.048 -0.913 0.000 1.445 378 H CB 1.251 30.627 29.762 -0.644 0.000 1.449 378 H HN 0.247 nan 8.280 nan 0.000 0.581 379 P HA -0.140 nan 4.420 nan 0.000 0.218 379 P C 1.051 178.465 177.300 0.190 0.000 1.146 379 P CA 1.967 65.115 63.100 0.079 0.000 0.813 379 P CB 0.080 31.713 31.700 -0.112 0.000 0.778 380 A N -0.042 122.922 122.820 0.240 0.000 2.070 380 A HA -0.199 4.122 4.320 0.001 0.000 0.220 380 A C 1.892 179.370 177.584 -0.177 0.000 1.159 380 A CA 1.335 53.343 52.037 -0.049 0.000 0.656 380 A CB -0.961 17.845 19.000 -0.323 0.000 0.800 380 A HN 0.208 nan 8.150 nan 0.000 0.453 381 K N -1.391 118.840 120.400 -0.282 0.000 2.515 381 K HA -0.016 4.305 4.320 0.001 0.000 0.196 381 K C -0.648 175.415 176.600 -0.895 0.000 1.038 381 K CA 0.649 56.563 56.287 -0.621 0.000 0.967 381 K CB -0.129 31.890 32.500 -0.803 0.000 0.780 381 K HN 0.606 nan 8.250 nan 0.000 0.483 382 F N 0.029 119.971 119.950 -0.013 0.000 2.619 382 F HA 0.253 4.780 4.527 0.001 0.000 0.382 382 F C 1.202 176.988 175.800 -0.023 0.000 1.466 382 F CA -0.829 57.169 58.000 -0.005 0.000 1.137 382 F CB 0.347 39.356 39.000 0.015 0.000 1.205 382 F HN -0.226 nan 8.300 nan 0.000 0.525 383 K N 1.333 121.757 120.400 0.040 0.000 2.034 383 K HA -0.246 4.074 4.320 0.001 0.000 0.214 383 K C 1.506 178.122 176.600 0.028 0.000 1.051 383 K CA 2.508 58.804 56.287 0.015 0.000 0.931 383 K CB 0.072 32.550 32.500 -0.036 0.000 0.715 383 K HN 0.485 nan 8.250 nan 0.000 0.446 384 E N 0.150 120.366 120.200 0.027 0.000 2.035 384 E HA -0.236 4.115 4.350 0.001 0.000 0.204 384 E C 2.189 178.807 176.600 0.031 0.000 1.025 384 E CA 2.107 58.521 56.400 0.024 0.000 0.835 384 E CB -0.245 29.471 29.700 0.027 0.000 0.764 384 E HN 0.302 nan 8.360 nan 0.000 0.457 385 S N 0.571 116.304 115.700 0.055 0.000 2.353 385 S HA -0.158 4.313 4.470 0.001 0.000 0.222 385 S C 2.311 176.922 174.600 0.018 0.000 1.035 385 S CA 1.314 59.535 58.200 0.035 0.000 1.025 385 S CB -0.395 62.829 63.200 0.040 0.000 0.902 385 S HN 0.068 nan 8.310 nan 0.000 0.440 386 V N 2.154 122.091 119.914 0.037 0.000 2.324 386 V HA -0.244 3.876 4.120 0.001 0.000 0.250 386 V C 2.388 178.480 176.094 -0.003 0.000 1.060 386 V CA 1.879 64.187 62.300 0.012 0.000 1.042 386 V CB -0.813 31.028 31.823 0.030 0.000 0.650 386 V HN 0.506 nan 8.190 nan 0.000 0.450 387 E N 0.310 120.511 120.200 0.002 0.000 2.051 387 E HA -0.198 4.153 4.350 0.001 0.000 0.192 387 E C 2.325 178.920 176.600 -0.009 0.000 0.991 387 E CA 1.385 57.781 56.400 -0.007 0.000 0.799 387 E CB -0.359 29.337 29.700 -0.006 0.000 0.748 387 E HN 0.608 nan 8.360 nan 0.000 0.449 388 A N 0.905 123.722 122.820 -0.005 0.000 1.969 388 A HA -0.108 4.213 4.320 0.001 0.000 0.218 388 A C 2.117 179.694 177.584 -0.012 0.000 1.169 388 A CA 0.890 52.922 52.037 -0.007 0.000 0.635 388 A CB -0.402 18.596 19.000 -0.004 0.000 0.810 388 A HN 0.129 nan 8.150 nan 0.000 0.445 389 I N -0.775 119.786 120.570 -0.015 0.000 2.406 389 I HA -0.114 4.057 4.170 0.001 0.000 0.249 389 I C 1.993 178.096 176.117 -0.023 0.000 1.122 389 I CA 0.791 62.078 61.300 -0.022 0.000 1.431 389 I CB -0.119 37.863 38.000 -0.031 0.000 1.087 389 I HN 0.234 nan 8.210 nan 0.000 0.424 390 L N 0.201 121.410 121.223 -0.023 0.000 2.416 390 L HA 0.226 4.567 4.340 0.001 0.000 0.216 390 L C 1.422 178.280 176.870 -0.020 0.000 1.098 390 L CA 0.596 55.421 54.840 -0.026 0.000 0.840 390 L CB -0.368 41.671 42.059 -0.032 0.000 0.981 390 L HN 0.460 nan 8.230 nan 0.000 0.462 391 G N 1.755 110.545 108.800 -0.017 0.000 2.182 391 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 391 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 391 G C -0.035 174.857 174.900 -0.014 0.000 1.042 391 G CA 0.522 45.613 45.100 -0.014 0.000 0.775 391 G HN 0.598 nan 8.290 nan 0.000 0.501 392 E N -0.854 119.337 120.200 -0.016 0.000 2.366 392 E HA 0.642 4.992 4.350 0.001 0.000 0.278 392 E C -0.181 176.409 176.600 -0.016 0.000 0.923 392 E CA -0.867 55.524 56.400 -0.016 0.000 0.761 392 E CB 0.899 30.588 29.700 -0.019 0.000 1.231 392 E HN 0.035 nan 8.360 nan 0.000 0.443 393 T N 1.717 116.262 114.554 -0.015 0.000 2.856 393 T HA 0.315 4.666 4.350 0.001 0.000 0.306 393 T C -0.531 174.158 174.700 -0.019 0.000 1.062 393 T CA -0.174 61.916 62.100 -0.016 0.000 1.083 393 T CB 0.340 69.199 68.868 -0.016 0.000 0.984 393 T HN 0.392 nan 8.240 nan 0.000 0.542 394 L N 2.346 123.556 121.223 -0.021 0.000 2.476 394 L HA 0.390 4.731 4.340 0.001 0.000 0.269 394 L C -1.042 175.809 176.870 -0.032 0.000 0.965 394 L CA -0.592 54.235 54.840 -0.023 0.000 0.845 394 L CB 1.880 43.928 42.059 -0.020 0.000 1.259 394 L HN 0.514 nan 8.230 nan 0.000 0.403 395 D N 3.165 123.546 120.400 -0.032 0.000 2.372 395 D HA 0.210 4.851 4.640 0.001 0.000 0.243 395 D C -0.498 175.759 176.300 -0.071 0.000 1.121 395 D CA -0.003 53.971 54.000 -0.043 0.000 0.898 395 D CB 1.786 42.566 40.800 -0.034 0.000 1.202 395 D HN 0.325 nan 8.370 nan 0.000 0.428 396 L N 3.480 124.651 121.223 -0.086 0.000 2.265 396 L HA 0.324 4.664 4.340 0.001 0.000 0.288 396 L C -2.232 174.551 176.870 -0.144 0.000 1.058 396 L CA -1.389 53.374 54.840 -0.129 0.000 0.809 396 L CB 0.969 42.960 42.059 -0.113 0.000 1.179 396 L HN 0.129 nan 8.230 nan 0.000 0.429 397 P HA 0.191 nan 4.420 nan 0.000 0.270 397 P C 0.509 177.721 177.300 -0.146 0.000 1.223 397 P CA 0.157 63.138 63.100 -0.199 0.000 0.785 397 P CB 0.515 32.011 31.700 -0.339 0.000 0.923 398 K N 1.453 121.791 120.400 -0.103 0.000 2.103 398 K HA -0.233 4.088 4.320 0.001 0.000 0.207 398 K C 1.738 178.288 176.600 -0.083 0.000 1.048 398 K CA 2.114 58.356 56.287 -0.075 0.000 0.930 398 K CB -1.456 31.016 32.500 -0.048 0.000 0.716 398 K HN 0.604 nan 8.250 nan 0.000 0.444 399 E N -0.225 119.911 120.200 -0.107 0.000 2.153 399 E HA -0.041 4.310 4.350 0.001 0.000 0.194 399 E C 1.898 178.427 176.600 -0.119 0.000 0.988 399 E CA 1.112 57.447 56.400 -0.108 0.000 0.811 399 E CB -0.020 29.593 29.700 -0.145 0.000 0.746 399 E HN 0.408 nan 8.360 nan 0.000 0.466 400 L N -0.387 120.745 121.223 -0.151 0.000 2.200 400 L HA 0.188 4.529 4.340 0.001 0.000 0.200 400 L C 2.110 178.912 176.870 -0.114 0.000 1.072 400 L CA 1.273 56.023 54.840 -0.149 0.000 0.787 400 L CB -0.954 40.986 42.059 -0.199 0.000 0.957 400 L HN 0.078 nan 8.230 nan 0.000 0.459 401 A N 0.328 123.084 122.820 -0.108 0.000 1.948 401 A HA -0.245 4.076 4.320 0.001 0.000 0.220 401 A C 1.996 179.540 177.584 -0.066 0.000 1.177 401 A CA 1.849 53.836 52.037 -0.083 0.000 0.636 401 A CB -0.739 18.216 19.000 -0.075 0.000 0.815 401 A HN 0.645 nan 8.150 nan 0.000 0.449 402 E N -1.014 119.149 120.200 -0.061 0.000 2.516 402 E HA -0.037 4.313 4.350 0.001 0.000 0.199 402 E C 1.116 177.686 176.600 -0.050 0.000 1.069 402 E CA 0.502 56.873 56.400 -0.048 0.000 0.876 402 E CB -0.086 29.591 29.700 -0.039 0.000 0.843 402 E HN 0.623 nan 8.360 nan 0.000 0.530 403 R N -0.923 119.541 120.500 -0.060 0.000 2.526 403 R HA 0.264 4.605 4.340 0.001 0.000 0.346 403 R C 1.451 177.707 176.300 -0.074 0.000 0.926 403 R CA 0.518 56.580 56.100 -0.063 0.000 1.147 403 R CB 0.676 30.942 30.300 -0.056 0.000 1.629 403 R HN 0.152 nan 8.270 nan 0.000 0.516 404 A N 1.083 123.858 122.820 -0.075 0.000 1.969 404 A HA -0.119 4.202 4.320 0.001 0.000 0.218 404 A C 1.225 178.770 177.584 -0.065 0.000 1.169 404 A CA 1.352 53.343 52.037 -0.077 0.000 0.635 404 A CB 0.001 18.955 19.000 -0.077 0.000 0.810 404 A HN 0.092 nan 8.150 nan 0.000 0.445 405 D N -0.863 119.503 120.400 -0.056 0.000 2.349 405 D HA 0.187 4.828 4.640 0.001 0.000 0.214 405 D C -0.270 176.002 176.300 -0.047 0.000 1.063 405 D CA -0.049 53.922 54.000 -0.047 0.000 0.847 405 D CB 0.146 40.923 40.800 -0.039 0.000 0.933 405 D HN 0.209 nan 8.370 nan 0.000 0.513 406 L N 2.826 124.016 121.223 -0.054 0.000 2.439 406 L HA 0.209 4.550 4.340 0.001 0.000 0.269 406 L C -1.819 175.016 176.870 -0.057 0.000 1.179 406 L CA -1.348 53.460 54.840 -0.053 0.000 0.828 406 L CB -0.221 41.803 42.059 -0.060 0.000 1.106 406 L HN -0.147 nan 8.230 nan 0.000 0.467 407 P HA 0.173 nan 4.420 nan 0.000 0.275 407 P C -0.937 176.324 177.300 -0.065 0.000 1.228 407 P CA -0.577 62.493 63.100 -0.050 0.000 0.786 407 P CB 0.788 32.465 31.700 -0.038 0.000 0.927 408 L N 2.483 123.665 121.223 -0.069 0.000 2.436 408 L HA 0.204 4.545 4.340 0.001 0.000 0.265 408 L C 1.435 178.255 176.870 -0.083 0.000 1.168 408 L CA 0.462 55.250 54.840 -0.086 0.000 0.815 408 L CB -0.245 41.768 42.059 -0.076 0.000 1.109 408 L HN 0.320 nan 8.230 nan 0.000 0.462 409 L N 0.255 121.417 121.223 -0.101 0.000 3.229 409 L HA 0.273 4.614 4.340 0.001 0.000 0.286 409 L C 0.191 176.928 176.870 -0.222 0.000 1.239 409 L CA -0.045 54.714 54.840 -0.134 0.000 1.035 409 L CB 0.353 42.355 42.059 -0.096 0.000 1.408 409 L HN 0.540 nan 8.230 nan 0.000 0.593 410 S N -0.136 115.480 115.700 -0.139 0.000 2.564 410 S HA 0.265 4.735 4.470 0.001 0.000 0.278 410 S C -0.035 174.455 174.600 -0.183 0.000 1.333 410 S CA -0.295 57.846 58.200 -0.100 0.000 1.048 410 S CB 0.432 63.687 63.200 0.091 0.000 0.900 410 S HN 0.174 nan 8.310 nan 0.000 0.505 411 H N 2.036 121.100 119.070 -0.010 0.000 2.488 411 H HA 0.314 4.871 4.556 0.002 0.000 0.347 411 H C -0.040 175.252 175.328 -0.059 0.000 1.174 411 H CA -0.329 55.696 56.048 -0.039 0.000 1.307 411 H CB 0.665 30.377 29.762 -0.083 0.000 1.517 411 H HN 0.602 nan 8.280 nan 0.000 0.554 412 N N 1.434 120.183 118.700 0.082 0.000 2.392 412 N HA 0.344 5.085 4.740 0.001 0.000 0.283 412 N C -1.180 174.329 175.510 -0.002 0.000 1.003 412 N CA -0.523 52.532 53.050 0.008 0.000 0.892 412 N CB 1.417 39.907 38.487 0.005 0.000 1.193 412 N HN 0.100 nan 8.380 nan 0.000 0.487 413 L N 3.317 124.521 121.223 -0.032 0.000 2.434 413 L HA 0.575 4.916 4.340 0.001 0.000 0.260 413 L C -2.303 174.547 176.870 -0.033 0.000 0.983 413 L CA -1.817 53.002 54.840 -0.035 0.000 0.820 413 L CB 2.460 44.489 42.059 -0.050 0.000 1.361 413 L HN 0.401 nan 8.230 nan 0.000 0.410 414 P HA 0.216 nan 4.420 nan 0.000 0.276 414 P C -0.932 176.364 177.300 -0.006 0.000 1.261 414 P CA -0.632 62.461 63.100 -0.012 0.000 0.800 414 P CB 0.873 32.569 31.700 -0.006 0.000 1.066 415 A N -0.382 122.441 122.820 0.004 0.000 3.046 415 A HA 0.396 4.717 4.320 0.001 0.000 0.259 415 A C 0.535 178.139 177.584 0.034 0.000 1.843 415 A CA 0.379 52.427 52.037 0.017 0.000 1.451 415 A CB -2.077 16.933 19.000 0.017 0.000 1.025 415 A HN 0.667 nan 8.150 nan 0.000 0.625 416 D N -0.117 120.303 120.400 0.034 0.000 2.620 416 D HA 0.442 5.083 4.640 0.001 0.000 0.252 416 D C 0.226 176.569 176.300 0.072 0.000 1.207 416 D CA -0.542 53.491 54.000 0.055 0.000 0.884 416 D CB 0.383 nan 40.800 nan 0.000 1.262 416 D HN 0.334 nan 8.370 nan 0.000 0.552 417 F N 1.958 121.900 119.950 -0.013 0.000 2.250 417 F HA 0.039 4.566 4.527 0.000 0.000 0.301 417 F C 2.484 178.275 175.800 -0.015 0.000 1.077 417 F CA 2.241 60.233 58.000 -0.013 0.000 1.348 417 F CB 0.020 39.016 39.000 -0.008 0.000 1.040 417 F HN 0.519 nan 8.300 nan 0.000 0.509 418 A N 0.214 123.017 122.820 -0.029 0.000 1.898 418 A HA -0.018 4.303 4.320 0.001 0.000 0.216 418 A C 2.452 179.938 177.584 -0.163 0.000 1.181 418 A CA 1.648 53.624 52.037 -0.102 0.000 0.620 418 A CB -1.495 17.503 19.000 -0.002 0.000 0.819 418 A HN 0.453 nan 8.150 nan 0.000 0.442 419 A N -0.437 122.315 122.820 -0.114 0.000 1.877 419 A HA -0.020 4.301 4.320 0.001 0.000 0.216 419 A C 2.146 179.634 177.584 -0.160 0.000 1.186 419 A CA 1.729 53.702 52.037 -0.107 0.000 0.620 419 A CB -0.670 18.291 19.000 -0.066 0.000 0.822 419 A HN 0.709 nan 8.150 nan 0.000 0.443 420 L N -0.063 121.036 121.223 -0.206 0.000 2.017 420 L HA -0.138 4.202 4.340 0.001 0.000 0.208 420 L C 2.444 179.126 176.870 -0.312 0.000 1.073 420 L CA 2.488 57.187 54.840 -0.235 0.000 0.745 420 L CB -0.672 41.254 42.059 -0.221 0.000 0.894 420 L HN 0.461 nan 8.230 nan 0.000 0.432 421 R N -0.332 119.862 120.500 -0.509 0.000 2.103 421 R HA -0.257 4.084 4.340 0.001 0.000 0.242 421 R C 2.467 178.625 176.300 -0.236 0.000 1.142 421 R CA 2.124 57.945 56.100 -0.465 0.000 0.960 421 R CB -0.254 29.688 30.300 -0.597 0.000 0.858 421 R HN 0.472 nan 8.270 nan 0.000 0.439 422 K N 0.483 120.770 120.400 -0.188 0.000 2.025 422 K HA -0.133 4.188 4.320 0.001 0.000 0.207 422 K C 2.188 178.743 176.600 -0.075 0.000 1.049 422 K CA 1.292 57.514 56.287 -0.109 0.000 0.933 422 K CB -0.214 32.233 32.500 -0.088 0.000 0.714 422 K HN 0.253 nan 8.250 nan 0.000 0.438 423 L N 0.789 121.954 121.223 -0.096 0.000 2.083 423 L HA -0.176 4.165 4.340 0.001 0.000 0.209 423 L C 2.324 179.189 176.870 -0.008 0.000 1.083 423 L CA 1.347 56.143 54.840 -0.074 0.000 0.752 423 L CB -0.108 41.825 42.059 -0.210 0.000 0.899 423 L HN 0.355 nan 8.230 nan 0.000 0.433 424 M N -1.365 118.189 119.600 -0.077 0.000 2.229 424 M HA -0.178 4.303 4.480 0.001 0.000 0.264 424 M C 1.732 178.030 176.300 -0.003 0.000 1.063 424 M CA 1.275 56.548 55.300 -0.046 0.000 1.114 424 M CB -0.156 32.388 32.600 -0.092 0.000 1.387 424 M HN 0.280 nan 8.290 nan 0.000 0.420 425 M N -0.608 118.977 119.600 -0.026 0.000 2.618 425 M HA -0.001 4.480 4.480 0.001 0.000 0.240 425 M C 0.690 176.981 176.300 -0.014 0.000 1.123 425 M CA 1.053 56.338 55.300 -0.026 0.000 1.060 425 M CB -1.322 31.251 32.600 -0.046 0.000 1.535 425 M HN 0.367 nan 8.290 nan 0.000 0.507 426 N N -0.904 117.814 118.700 0.031 0.000 2.220 426 N HA 0.011 4.752 4.740 0.001 0.000 0.195 426 N C -0.138 175.250 175.510 -0.204 0.000 1.123 426 N CA 0.129 53.150 53.050 -0.049 0.000 0.874 426 N CB 0.499 38.968 38.487 -0.030 0.000 0.995 426 N HN 0.380 nan 8.380 nan 0.000 0.498 427 H N 0.252 119.287 119.070 -0.058 0.000 2.587 427 H HA 0.263 4.819 4.556 0.001 0.000 0.245 427 H C -0.400 174.916 175.328 -0.020 0.000 1.238 427 H CA -0.354 55.676 56.048 -0.031 0.000 0.963 427 H CB 0.098 29.845 29.762 -0.025 0.000 1.904 427 H HN 0.084 nan 8.280 nan 0.000 0.584 428 Q N 0.000 119.822 119.800 0.037 0.000 2.315 428 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 428 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 428 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481