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 2vdo_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKXXXXXXQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc R 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.899 174.900 -0.002 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 2 P HA 0.472 nan 4.420 nan 0.000 0.275 2 P C -1.014 176.289 177.300 0.005 0.000 1.227 2 P CA -0.156 62.945 63.100 0.002 0.000 0.781 2 P CB 1.465 33.166 31.700 0.003 0.000 0.906 3 N N 0.625 119.329 118.700 0.007 0.000 2.483 3 N HA 0.198 4.938 4.740 0.000 0.000 0.285 3 N C 0.821 176.343 175.510 0.020 0.000 1.210 3 N CA -0.918 52.140 53.050 0.013 0.000 0.931 3 N CB 0.811 39.305 38.487 0.012 0.000 1.220 3 N HN 0.372 nan 8.380 nan 0.000 0.542 4 I N -0.326 120.260 120.570 0.026 0.000 2.394 4 I HA -0.228 3.942 4.170 0.000 0.000 0.251 4 I C 1.020 177.162 176.117 0.042 0.000 1.136 4 I CA 0.932 62.250 61.300 0.031 0.000 1.425 4 I CB -0.090 37.930 38.000 0.032 0.000 1.079 4 I HN 0.685 nan 8.210 nan 0.000 0.425 5 c N 0.457 119.087 118.600 0.049 0.000 2.432 5 c HA -0.165 4.405 4.570 0.000 0.000 0.277 5 c C 2.957 177.085 174.090 0.062 0.000 1.249 5 c CA 1.610 57.980 56.329 0.068 0.000 1.725 5 c CB -1.666 40.889 42.510 0.074 0.000 2.028 5 c HN 0.661 nan 8.230 nan 0.000 0.477 6 T N -0.857 113.720 114.554 0.038 0.000 2.985 6 T HA -0.102 4.248 4.350 0.000 0.000 0.266 6 T C 1.225 175.943 174.700 0.030 0.000 1.076 6 T CA 1.846 63.961 62.100 0.026 0.000 1.135 6 T CB -0.713 68.158 68.868 0.005 0.000 0.890 6 T HN 0.616 nan 8.240 nan 0.000 0.480 7 T N -0.184 114.387 114.554 0.029 0.000 3.260 7 T HA 0.434 4.784 4.350 0.000 0.000 0.254 7 T C 0.289 175.007 174.700 0.030 0.000 0.951 7 T CA -0.862 61.253 62.100 0.025 0.000 0.918 7 T CB -0.380 68.499 68.868 0.018 0.000 1.098 7 T HN 0.322 nan 8.240 nan 0.000 0.563 8 R N 0.482 121.005 120.500 0.040 0.000 2.818 8 R HA 0.440 4.780 4.340 0.000 0.000 0.258 8 R C 1.259 177.589 176.300 0.049 0.000 1.797 8 R CA -0.115 56.008 56.100 0.039 0.000 1.532 8 R CB 0.649 30.972 30.300 0.038 0.000 1.413 8 R HN 0.431 nan 8.270 nan 0.000 0.622 9 G N 1.557 110.384 108.800 0.045 0.000 5.218 9 G HA2 -0.481 3.479 3.960 0.000 0.000 0.342 9 G HA3 -0.481 3.479 3.960 0.000 0.000 0.342 9 G C 0.413 175.361 174.900 0.079 0.000 1.391 9 G CA 1.081 46.212 45.100 0.051 0.000 1.096 9 G HN 1.240 nan 8.290 nan 0.000 0.831 10 V N -2.787 117.183 119.914 0.094 0.000 5.919 10 V HA -0.153 3.967 4.120 0.000 0.000 0.195 10 V C 1.088 177.297 176.094 0.192 0.000 0.690 10 V CA 1.879 64.276 62.300 0.161 0.000 0.572 10 V CB -2.343 29.631 31.823 0.252 0.000 0.449 10 V HN 1.589 nan 8.190 nan 0.000 0.430 11 S N 0.825 116.588 115.700 0.105 0.000 2.496 11 S HA 0.268 4.738 4.470 0.000 0.000 0.224 11 S C 0.843 175.482 174.600 0.065 0.000 0.996 11 S CA 0.721 58.980 58.200 0.098 0.000 0.927 11 S CB 0.056 63.282 63.200 0.044 0.000 0.774 11 S HN 1.919 nan 8.310 nan 0.000 0.524 12 S N -1.466 114.179 115.700 -0.092 0.000 2.625 12 S HA 0.330 4.800 4.470 0.000 0.000 0.271 12 S C 0.571 174.560 174.600 -1.018 0.000 1.161 12 S CA -0.574 57.356 58.200 -0.450 0.000 0.820 12 S CB 0.777 63.803 63.200 -0.291 0.000 1.137 12 S HN 0.098 nan 8.310 nan 0.000 0.470 13 c N 0.614 118.291 118.600 -1.538 0.000 2.413 13 c HA -0.096 4.474 4.570 0.000 0.000 0.276 13 c C 2.705 176.443 174.090 -0.587 0.000 1.248 13 c CA 2.025 57.458 56.329 -1.494 0.000 1.742 13 c CB -1.549 40.222 42.510 -1.230 0.000 2.017 13 c HN 1.016 nan 8.230 nan 0.000 0.481 14 Q N -0.371 119.182 119.800 -0.412 0.000 2.084 14 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 14 Q C 2.274 178.183 176.000 -0.151 0.000 0.978 14 Q CA 1.918 57.590 55.803 -0.219 0.000 0.844 14 Q CB -0.174 28.461 28.738 -0.171 0.000 0.898 14 Q HN 0.754 nan 8.270 nan 0.000 0.426 15 Q N -0.689 119.017 119.800 -0.155 0.000 2.167 15 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 15 Q C 2.384 178.369 176.000 -0.024 0.000 0.970 15 Q CA 1.197 56.956 55.803 -0.073 0.000 0.855 15 Q CB -0.235 28.472 28.738 -0.052 0.000 0.911 15 Q HN 0.481 nan 8.270 nan 0.000 0.438 16 c N 0.576 119.160 118.600 -0.026 0.000 2.432 16 c HA -0.101 4.469 4.570 0.000 0.000 0.277 16 c C 2.402 176.540 174.090 0.080 0.000 1.249 16 c CA 0.628 57.019 56.329 0.102 0.000 1.725 16 c CB -0.934 41.740 42.510 0.275 0.000 2.028 16 c HN 0.496 nan 8.230 nan 0.000 0.477 17 L N 1.195 122.433 121.223 0.025 0.000 2.083 17 L HA -0.059 4.281 4.340 0.000 0.000 0.209 17 L C 2.946 179.823 176.870 0.013 0.000 1.083 17 L CA 1.586 56.440 54.840 0.023 0.000 0.752 17 L CB -0.825 41.225 42.059 -0.015 0.000 0.899 17 L HN 0.436 nan 8.230 nan 0.000 0.433 18 A N -0.470 122.348 122.820 -0.003 0.000 2.119 18 A HA -0.046 4.274 4.320 0.000 0.000 0.217 18 A C 2.304 179.893 177.584 0.008 0.000 1.153 18 A CA 0.899 52.932 52.037 -0.006 0.000 0.692 18 A CB -0.469 18.518 19.000 -0.022 0.000 0.799 18 A HN 0.198 nan 8.150 nan 0.000 0.458 19 V N -0.913 119.016 119.914 0.026 0.000 2.307 19 V HA -0.013 4.107 4.120 0.000 0.000 0.245 19 V C 1.236 177.351 176.094 0.036 0.000 1.045 19 V CA 1.852 64.172 62.300 0.034 0.000 1.024 19 V CB -0.306 31.549 31.823 0.054 0.000 0.651 19 V HN 0.614 nan 8.190 nan 0.000 0.449 20 S N -2.569 113.159 115.700 0.048 0.000 2.565 20 S HA 0.373 4.843 4.470 0.000 0.000 0.274 20 S C -2.658 171.978 174.600 0.060 0.000 1.144 20 S CA -0.629 57.601 58.200 0.050 0.000 0.849 20 S CB 1.784 65.020 63.200 0.059 0.000 1.103 20 S HN 0.023 nan 8.310 nan 0.000 0.455 21 P HA -0.005 nan 4.420 nan 0.000 0.225 21 P C 1.320 178.684 177.300 0.107 0.000 1.148 21 P CA 0.873 63.990 63.100 0.027 0.000 0.779 21 P CB -0.153 31.553 31.700 0.010 0.000 0.780 22 M N -3.463 116.240 119.600 0.172 0.000 2.556 22 M HA 0.136 4.616 4.480 0.000 0.000 0.245 22 M C -0.054 176.457 176.300 0.350 0.000 1.128 22 M CA 0.536 56.006 55.300 0.284 0.000 1.069 22 M CB -0.725 31.969 32.600 0.156 0.000 1.469 22 M HN -0.260 nan 8.290 nan 0.000 0.494 23 c N 2.955 121.727 118.600 0.288 0.000 2.539 23 c HA 0.799 5.369 4.570 0.000 0.000 0.392 23 c C 0.883 175.210 174.090 0.394 0.000 1.269 23 c CA -0.614 55.866 56.329 0.253 0.000 2.250 23 c CB 0.421 43.040 42.510 0.182 0.000 2.584 23 c HN 0.610 nan 8.230 nan 0.000 0.589 24 A N 3.022 126.012 122.820 0.284 0.000 2.469 24 A HA 0.843 5.163 4.320 0.000 0.000 0.299 24 A C -1.329 176.420 177.584 0.276 0.000 1.098 24 A CA -0.406 51.824 52.037 0.322 0.000 0.737 24 A CB 1.255 20.316 19.000 0.101 0.000 1.312 24 A HN 0.970 nan 8.150 nan 0.000 0.414 25 W N 1.814 123.163 121.300 0.083 0.000 2.702 25 W HA 0.516 5.176 4.660 0.000 0.000 0.331 25 W C -1.268 175.265 176.519 0.023 0.000 1.049 25 W CA -0.804 56.565 57.345 0.039 0.000 1.230 25 W CB 1.701 31.180 29.460 0.030 0.000 1.408 25 W HN 0.851 nan 8.180 nan 0.000 0.492 26 c N 4.558 122.857 118.600 -0.502 0.000 2.307 26 c HA 0.477 5.047 4.570 0.000 0.000 0.340 26 c C 0.999 174.883 174.090 -0.343 0.000 1.275 26 c CA -0.040 56.096 56.329 -0.322 0.000 1.811 26 c CB 0.603 42.928 42.510 -0.308 0.000 2.372 26 c HN 0.654 nan 8.230 nan 0.000 0.531 27 S N 2.477 118.167 115.700 -0.017 0.000 2.540 27 S HA 0.069 4.539 4.470 0.000 0.000 0.218 27 S C 0.114 174.732 174.600 0.030 0.000 0.977 27 S CA -0.097 58.153 58.200 0.084 0.000 0.918 27 S CB -0.318 62.976 63.200 0.157 0.000 0.806 27 S HN 0.922 nan 8.310 nan 0.000 0.496 28 D N 2.519 122.911 120.400 -0.013 0.000 2.382 28 D HA 0.050 4.690 4.640 0.000 0.000 0.259 28 D C 0.726 177.032 176.300 0.010 0.000 1.224 28 D CA 0.276 54.277 54.000 0.001 0.000 0.894 28 D CB 0.720 41.508 40.800 -0.019 0.000 1.127 28 D HN 0.249 nan 8.370 nan 0.000 0.487 29 E N 2.281 122.512 120.200 0.051 0.000 2.274 29 E HA -0.077 4.273 4.350 0.000 0.000 0.194 29 E C 1.655 178.281 176.600 0.043 0.000 0.996 29 E CA 0.688 57.134 56.400 0.076 0.000 0.840 29 E CB 0.163 29.940 29.700 0.128 0.000 0.772 29 E HN 0.553 nan 8.360 nan 0.000 0.491 30 A N 0.811 123.645 122.820 0.024 0.000 2.119 30 A HA -0.004 4.316 4.320 0.000 0.000 0.217 30 A C 1.018 178.599 177.584 -0.004 0.000 1.153 30 A CA -0.022 52.022 52.037 0.011 0.000 0.692 30 A CB -0.237 18.768 19.000 0.008 0.000 0.799 30 A HN 0.202 nan 8.150 nan 0.000 0.458 31 L N 1.896 123.109 121.223 -0.016 0.000 2.490 31 L HA 0.228 4.568 4.340 0.000 0.000 0.274 31 L C -1.792 175.061 176.870 -0.028 0.000 1.201 31 L CA -1.307 53.511 54.840 -0.036 0.000 0.869 31 L CB 0.148 42.166 42.059 -0.069 0.000 1.123 31 L HN 0.134 nan 8.230 nan 0.000 0.484 32 P HA 0.074 nan 4.420 nan 0.000 0.274 32 P C 0.745 178.030 177.300 -0.026 0.000 1.256 32 P CA -0.318 62.770 63.100 -0.020 0.000 0.795 32 P CB 0.739 32.427 31.700 -0.020 0.000 1.038 33 L N 0.134 121.349 121.223 -0.014 0.000 2.217 33 L HA -0.047 4.293 4.340 0.000 0.000 0.211 33 L C 2.679 179.536 176.870 -0.021 0.000 1.107 33 L CA 1.658 56.490 54.840 -0.013 0.000 0.783 33 L CB -1.176 40.884 42.059 0.001 0.000 0.919 33 L HN 0.552 nan 8.230 nan 0.000 0.442 34 G N -0.719 108.068 108.800 -0.021 0.000 2.422 34 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 34 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 34 G C 0.840 175.718 174.900 -0.035 0.000 1.146 34 G CA 0.167 45.253 45.100 -0.023 0.000 0.769 34 G HN 0.299 nan 8.290 nan 0.000 0.547 35 S N 1.861 117.533 115.700 -0.048 0.000 2.548 35 S HA 0.411 4.881 4.470 0.000 0.000 0.277 35 S C -2.054 172.491 174.600 -0.093 0.000 1.315 35 S CA -0.868 57.292 58.200 -0.066 0.000 1.050 35 S CB 1.630 64.785 63.200 -0.074 0.000 0.918 35 S HN 0.193 nan 8.310 nan 0.000 0.497 36 P HA 0.314 nan 4.420 nan 0.000 0.278 36 P C 0.057 177.222 177.300 -0.226 0.000 1.238 36 P CA -0.471 62.554 63.100 -0.125 0.000 0.794 36 P CB 0.941 32.594 31.700 -0.079 0.000 0.955 37 R N 0.664 120.942 120.500 -0.369 0.000 2.112 37 R HA 0.084 4.424 4.340 0.000 0.000 0.216 37 R C 0.630 176.537 176.300 -0.655 0.000 1.080 37 R CA 0.597 56.244 56.100 -0.755 0.000 0.996 37 R CB -0.262 29.204 30.300 -1.389 0.000 0.902 37 R HN 0.463 nan 8.270 nan 0.000 0.449 38 c N 2.094 120.529 118.600 -0.275 0.000 2.246 38 c HA 0.356 4.926 4.570 0.000 0.000 0.329 38 c C -0.612 173.490 174.090 0.020 0.000 1.221 38 c CA -0.390 55.979 56.329 0.066 0.000 1.697 38 c CB -0.457 42.231 42.510 0.296 0.000 2.312 38 c HN 0.339 nan 8.230 nan 0.000 0.509 39 D N 2.602 123.014 120.400 0.019 0.000 2.713 39 D HA 0.365 5.005 4.640 0.000 0.000 0.306 39 D C -1.008 175.293 176.300 0.001 0.000 1.299 39 D CA -0.429 53.569 54.000 -0.004 0.000 0.823 39 D CB 1.098 41.867 40.800 -0.051 0.000 1.353 39 D HN 0.483 nan 8.370 nan 0.000 0.447 40 L N 1.767 122.975 121.223 -0.024 0.000 2.461 40 L HA 0.222 4.562 4.340 0.000 0.000 0.272 40 L C 2.020 178.810 176.870 -0.133 0.000 1.197 40 L CA -0.073 54.729 54.840 -0.063 0.000 0.836 40 L CB 0.500 42.526 42.059 -0.055 0.000 1.105 40 L HN 0.477 nan 8.230 nan 0.000 0.477 41 K N 1.443 121.682 120.400 -0.267 0.000 2.103 41 K HA -0.195 4.125 4.320 0.000 0.000 0.207 41 K C 1.576 178.058 176.600 -0.196 0.000 1.048 41 K CA 1.778 57.874 56.287 -0.319 0.000 0.930 41 K CB 0.219 32.344 32.500 -0.624 0.000 0.716 41 K HN 0.633 nan 8.250 nan 0.000 0.444 42 E N 0.445 120.547 120.200 -0.163 0.000 2.051 42 E HA -0.160 4.190 4.350 0.000 0.000 0.192 42 E C 1.712 178.262 176.600 -0.083 0.000 0.991 42 E CA 1.351 57.688 56.400 -0.106 0.000 0.799 42 E CB -0.138 29.513 29.700 -0.082 0.000 0.748 42 E HN 0.284 nan 8.360 nan 0.000 0.449 43 N N 0.318 118.971 118.700 -0.079 0.000 2.309 43 N HA -0.082 4.659 4.740 0.000 0.000 0.182 43 N C 1.690 177.158 175.510 -0.071 0.000 1.018 43 N CA 0.781 53.793 53.050 -0.064 0.000 0.876 43 N CB -0.063 38.391 38.487 -0.055 0.000 0.972 43 N HN 0.187 nan 8.380 nan 0.000 0.434 44 L N 0.186 121.357 121.223 -0.086 0.000 2.044 44 L HA -0.017 4.323 4.340 0.000 0.000 0.205 44 L C 2.152 178.977 176.870 -0.074 0.000 1.075 44 L CA 0.683 55.470 54.840 -0.089 0.000 0.747 44 L CB -0.478 41.521 42.059 -0.100 0.000 0.903 44 L HN 0.076 nan 8.230 nan 0.000 0.435 45 L N 0.039 121.218 121.223 -0.073 0.000 2.083 45 L HA -0.241 4.099 4.340 0.000 0.000 0.209 45 L C 2.661 179.502 176.870 -0.048 0.000 1.083 45 L CA 1.380 56.186 54.840 -0.057 0.000 0.752 45 L CB -0.468 41.556 42.059 -0.058 0.000 0.899 45 L HN 0.258 nan 8.230 nan 0.000 0.433 46 K N 0.077 120.448 120.400 -0.049 0.000 2.211 46 K HA -0.159 4.161 4.320 0.000 0.000 0.203 46 K C 0.352 176.929 176.600 -0.039 0.000 1.050 46 K CA 1.292 57.555 56.287 -0.040 0.000 0.945 46 K CB 0.114 32.590 32.500 -0.040 0.000 0.732 46 K HN 0.230 nan 8.250 nan 0.000 0.451 47 D N 0.850 121.222 120.400 -0.046 0.000 2.460 47 D HA 0.068 4.708 4.640 0.000 0.000 0.229 47 D C -0.707 175.566 176.300 -0.045 0.000 1.170 47 D CA 0.050 54.023 54.000 -0.046 0.000 0.827 47 D CB 0.183 40.950 40.800 -0.055 0.000 0.973 47 D HN 0.152 nan 8.370 nan 0.000 0.496 48 N N -0.323 118.353 118.700 -0.039 0.000 2.741 48 N HA -0.207 4.533 4.740 0.000 0.000 0.250 48 N C -0.339 175.149 175.510 -0.036 0.000 1.115 48 N CA 0.343 53.374 53.050 -0.033 0.000 0.724 48 N CB -2.098 36.373 38.487 -0.026 0.000 1.090 48 N HN 0.361 nan 8.380 nan 0.000 0.558 49 c N 0.979 119.550 118.600 -0.047 0.000 2.593 49 c HA 0.637 5.207 4.570 0.000 0.000 0.409 49 c C 1.363 175.433 174.090 -0.033 0.000 1.304 49 c CA -0.277 56.022 56.329 -0.049 0.000 2.007 49 c CB -0.554 41.912 42.510 -0.073 0.000 2.614 49 c HN 0.520 nan 8.230 nan 0.000 0.585 50 A N 7.870 130.677 122.820 -0.021 0.000 2.524 50 A HA 0.342 4.662 4.320 0.000 0.000 0.250 50 A C -1.165 176.416 177.584 -0.005 0.000 1.078 50 A CA -0.624 51.407 52.037 -0.009 0.000 0.761 50 A CB -0.127 18.874 19.000 0.001 0.000 1.012 50 A HN 0.823 nan 8.150 nan 0.000 0.500 51 P HA -0.189 nan 4.420 nan 0.000 0.217 51 P C 0.946 178.256 177.300 0.017 0.000 1.148 51 P CA 1.661 64.762 63.100 0.001 0.000 0.828 51 P CB 0.198 31.899 31.700 0.001 0.000 0.783 52 E N -1.008 119.204 120.200 0.019 0.000 2.152 52 E HA -0.052 4.298 4.350 0.000 0.000 0.192 52 E C 1.738 178.361 176.600 0.038 0.000 0.983 52 E CA 0.970 57.387 56.400 0.028 0.000 0.818 52 E CB -0.323 29.391 29.700 0.024 0.000 0.758 52 E HN 0.205 nan 8.360 nan 0.000 0.467 53 S N 0.501 116.222 115.700 0.034 0.000 2.562 53 S HA 0.092 4.562 4.470 0.000 0.000 0.221 53 S C 0.803 175.443 174.600 0.066 0.000 0.975 53 S CA 0.074 58.302 58.200 0.046 0.000 0.918 53 S CB 0.087 63.305 63.200 0.029 0.000 0.772 53 S HN 0.138 nan 8.310 nan 0.000 0.531 54 I N 2.810 123.414 120.570 0.057 0.000 2.556 54 I HA 0.074 4.244 4.170 0.000 0.000 0.284 54 I C 0.138 176.340 176.117 0.142 0.000 1.114 54 I CA 0.097 61.444 61.300 0.079 0.000 1.418 54 I CB 0.510 38.533 38.000 0.040 0.000 1.394 54 I HN 0.013 nan 8.210 nan 0.000 0.552 55 E N 6.948 127.273 120.200 0.209 0.000 2.109 55 E HA 0.286 4.636 4.350 0.000 0.000 0.278 55 E C -1.137 175.650 176.600 0.311 0.000 0.954 55 E CA -0.373 56.161 56.400 0.224 0.000 0.779 55 E CB 1.924 31.758 29.700 0.223 0.000 1.093 55 E HN 0.357 nan 8.360 nan 0.000 0.401 56 F N 4.603 124.591 119.950 0.063 0.000 3.065 56 F HA 0.280 4.807 4.527 0.000 0.000 0.383 56 F C -2.482 173.340 175.800 0.037 0.000 1.259 56 F CA -2.161 55.870 58.000 0.052 0.000 1.217 56 F CB 0.912 39.938 39.000 0.045 0.000 2.042 56 F HN 0.154 nan 8.300 nan 0.000 0.641 57 P HA 0.198 nan 4.420 nan 0.000 0.265 57 P C -0.984 176.090 177.300 -0.376 0.000 1.193 57 P CA 0.077 63.051 63.100 -0.210 0.000 0.765 57 P CB 0.954 32.569 31.700 -0.142 0.000 0.823 58 V N 2.701 122.482 119.914 -0.221 0.000 2.417 58 V HA 0.215 4.335 4.120 0.000 0.000 0.291 58 V C 0.373 176.402 176.094 -0.109 0.000 1.024 58 V CA -0.621 61.564 62.300 -0.191 0.000 0.861 58 V CB 1.614 33.385 31.823 -0.087 0.000 0.985 58 V HN 0.493 nan 8.190 nan 0.000 0.436 59 S N 4.355 119.998 115.700 -0.096 0.000 2.549 59 S HA 0.276 4.746 4.470 0.000 0.000 0.283 59 S C 0.091 174.673 174.600 -0.031 0.000 1.320 59 S CA -0.309 57.859 58.200 -0.053 0.000 1.058 59 S CB 0.212 63.392 63.200 -0.033 0.000 0.882 59 S HN 0.951 nan 8.310 nan 0.000 0.498 60 E N 0.664 120.846 120.200 -0.029 0.000 2.392 60 E HA 0.771 5.121 4.350 0.000 0.000 0.269 60 E C -1.458 175.131 176.600 -0.018 0.000 0.924 60 E CA -1.480 54.909 56.400 -0.018 0.000 0.784 60 E CB 1.831 31.515 29.700 -0.027 0.000 1.292 60 E HN 0.488 nan 8.360 nan 0.000 0.447 61 A N 2.144 124.959 122.820 -0.008 0.000 2.410 61 A HA 0.458 4.778 4.320 0.000 0.000 0.289 61 A C -0.791 176.771 177.584 -0.036 0.000 1.200 61 A CA -0.743 51.279 52.037 -0.025 0.000 0.751 61 A CB 0.854 19.880 19.000 0.042 0.000 1.161 61 A HN 0.496 nan 8.150 nan 0.000 0.459 62 R N 1.562 122.022 120.500 -0.067 0.000 2.294 62 R HA 0.459 4.799 4.340 0.000 0.000 0.319 62 R C -0.047 176.206 176.300 -0.078 0.000 0.984 62 R CA -0.518 55.546 56.100 -0.059 0.000 0.861 62 R CB 1.780 32.046 30.300 -0.057 0.000 1.104 62 R HN 0.707 nan 8.270 nan 0.000 0.451 63 V N 3.050 122.931 119.914 -0.055 0.000 2.572 63 V HA 0.138 4.258 4.120 0.000 0.000 0.291 63 V C 0.923 176.983 176.094 -0.058 0.000 1.039 63 V CA -0.012 62.253 62.300 -0.059 0.000 1.055 63 V CB 0.638 32.442 31.823 -0.031 0.000 0.969 63 V HN 0.775 nan 8.190 nan 0.000 0.482 64 L N 2.263 123.444 121.223 -0.071 0.000 2.349 64 L HA 0.423 4.763 4.340 0.000 0.000 0.200 64 L C 1.033 177.875 176.870 -0.047 0.000 1.064 64 L CA 0.467 55.270 54.840 -0.061 0.000 0.821 64 L CB 0.116 42.129 42.059 -0.076 0.000 1.027 64 L HN 0.700 nan 8.230 nan 0.000 0.476 65 E N 0.590 120.760 120.200 -0.049 0.000 2.165 65 E HA 0.171 4.521 4.350 0.000 0.000 0.266 65 E C -1.024 175.560 176.600 -0.026 0.000 0.889 65 E CA -0.141 56.238 56.400 -0.035 0.000 0.756 65 E CB 1.899 31.577 29.700 -0.036 0.000 1.131 65 E HN -0.061 nan 8.360 nan 0.000 0.411 66 D N 3.139 123.530 120.400 -0.015 0.000 2.938 66 D HA 0.114 4.754 4.640 0.000 0.000 0.369 66 D C -0.662 175.639 176.300 0.001 0.000 1.301 66 D CA -0.484 53.513 54.000 -0.005 0.000 0.805 66 D CB 0.193 40.990 40.800 -0.004 0.000 1.161 66 D HN 0.236 nan 8.370 nan 0.000 0.474 67 R N 1.645 122.146 120.500 0.002 0.000 2.522 67 R HA 0.212 4.552 4.340 0.000 0.000 0.284 67 R C -1.952 174.356 176.300 0.013 0.000 1.032 67 R CA -0.791 55.313 56.100 0.006 0.000 1.049 67 R CB 0.342 30.645 30.300 0.006 0.000 0.956 67 R HN 0.209 nan 8.270 nan 0.000 0.422 68 P HA -0.008 nan 4.420 nan 0.000 0.272 68 P C -0.357 176.957 177.300 0.023 0.000 1.230 68 P CA -0.169 62.941 63.100 0.018 0.000 0.788 68 P CB 0.650 32.358 31.700 0.014 0.000 0.949 69 L N 1.061 122.301 121.223 0.029 0.000 2.490 69 L HA 0.064 4.404 4.340 0.000 0.000 0.274 69 L C 1.188 178.075 176.870 0.028 0.000 1.201 69 L CA 0.112 54.973 54.840 0.036 0.000 0.869 69 L CB -0.190 41.894 42.059 0.042 0.000 1.123 69 L HN 0.393 nan 8.230 nan 0.000 0.484 70 S N 1.690 117.408 115.700 0.030 0.000 2.585 70 S HA 0.170 4.640 4.470 0.000 0.000 0.273 70 S C -0.262 174.347 174.600 0.016 0.000 1.339 70 S CA -0.771 57.441 58.200 0.019 0.000 1.028 70 S CB 0.916 64.126 63.200 0.016 0.000 0.906 70 S HN 0.523 nan 8.310 nan 0.000 0.528 71 D N 0.944 121.349 120.400 0.009 0.000 2.607 71 D HA 0.604 5.244 4.640 0.000 0.000 0.253 71 D C -0.079 176.221 176.300 -0.000 0.000 1.171 71 D CA -0.552 53.451 54.000 0.006 0.000 1.084 71 D CB 0.671 41.474 40.800 0.006 0.000 1.203 71 D HN 0.351 nan 8.370 nan 0.000 0.629 80 V N 2.111 122.030 119.914 0.007 0.000 3.559 80 V HA -0.170 3.950 4.120 0.000 0.000 0.476 80 V C -0.846 175.264 176.094 0.028 0.000 0.682 80 V CA 1.410 63.717 62.300 0.012 0.000 1.988 80 V CB -1.270 30.554 31.823 0.001 0.000 2.423 80 V HN 0.475 nan 8.190 nan 0.000 0.500 81 T N 6.732 121.307 114.554 0.035 0.000 2.758 81 T HA 0.473 4.823 4.350 0.000 0.000 0.285 81 T C 0.722 175.467 174.700 0.075 0.000 0.981 81 T CA -0.342 61.788 62.100 0.050 0.000 0.965 81 T CB 1.930 70.820 68.868 0.037 0.000 0.927 81 T HN 0.770 nan 8.240 nan 0.000 0.448 82 Q N 1.394 121.264 119.800 0.116 0.000 2.245 82 Q HA 0.270 4.610 4.340 0.000 0.000 0.236 82 Q C -0.077 176.009 176.000 0.145 0.000 0.842 82 Q CA 0.085 55.995 55.803 0.179 0.000 0.945 82 Q CB 1.102 30.043 28.738 0.339 0.000 1.122 82 Q HN 0.398 nan 8.270 nan 0.000 0.506 83 V N 0.321 120.295 119.914 0.101 0.000 2.604 83 V HA 0.523 4.643 4.120 0.000 0.000 0.305 83 V C -0.708 175.418 176.094 0.054 0.000 1.043 83 V CA -0.635 61.702 62.300 0.062 0.000 0.888 83 V CB 1.943 33.789 31.823 0.039 0.000 0.995 83 V HN -0.065 nan 8.190 nan 0.000 0.429 84 S N 5.784 121.518 115.700 0.056 0.000 2.614 84 S HA 0.676 5.146 4.470 0.000 0.000 0.275 84 S C -2.900 171.736 174.600 0.059 0.000 1.161 84 S CA -1.049 57.179 58.200 0.047 0.000 0.969 84 S CB 2.397 65.623 63.200 0.043 0.000 1.059 84 S HN 0.566 nan 8.310 nan 0.000 0.482 85 P HA 0.388 nan 4.420 nan 0.000 0.279 85 P C -0.310 176.991 177.300 0.001 0.000 1.282 85 P CA -0.230 62.879 63.100 0.016 0.000 0.788 85 P CB 0.739 32.439 31.700 0.000 0.000 1.139 86 Q N -1.274 118.515 119.800 -0.019 0.000 2.394 86 Q HA 0.211 4.551 4.340 0.000 0.000 0.218 86 Q C 0.837 176.795 176.000 -0.070 0.000 0.907 86 Q CA 0.905 56.690 55.803 -0.030 0.000 0.919 86 Q CB 0.431 29.158 28.738 -0.018 0.000 1.051 86 Q HN 0.325 nan 8.270 nan 0.000 0.538 87 R N 0.910 121.358 120.500 -0.086 0.000 2.574 87 R HA 0.562 4.902 4.340 0.000 0.000 0.288 87 R C -1.549 174.658 176.300 -0.156 0.000 1.004 87 R CA -0.478 55.544 56.100 -0.130 0.000 0.895 87 R CB 1.150 31.387 30.300 -0.105 0.000 1.191 87 R HN 0.192 nan 8.270 nan 0.000 0.444 88 I N 0.185 120.614 120.570 -0.236 0.000 2.730 88 I HA 0.753 4.923 4.170 0.000 0.000 0.298 88 I C -0.973 174.976 176.117 -0.281 0.000 1.089 88 I CA -1.129 60.012 61.300 -0.265 0.000 1.041 88 I CB 2.503 40.274 38.000 -0.383 0.000 1.235 88 I HN 0.614 nan 8.210 nan 0.000 0.423 89 A N 6.981 129.670 122.820 -0.218 0.000 2.256 89 A HA 0.710 5.030 4.320 0.000 0.000 0.317 89 A C -0.619 176.850 177.584 -0.191 0.000 1.318 89 A CA -0.522 51.397 52.037 -0.196 0.000 0.894 89 A CB 0.493 19.409 19.000 -0.140 0.000 1.165 89 A HN 0.744 nan 8.150 nan 0.000 0.525 90 L N 2.756 123.849 121.223 -0.216 0.000 2.276 90 L HA 0.481 4.821 4.340 0.000 0.000 0.286 90 L C 0.654 177.422 176.870 -0.170 0.000 1.061 90 L CA -0.286 54.456 54.840 -0.163 0.000 0.807 90 L CB 1.191 43.173 42.059 -0.129 0.000 1.177 90 L HN 0.725 nan 8.230 nan 0.000 0.429 91 R N 4.507 124.933 120.500 -0.123 0.000 2.310 91 R HA 0.620 4.960 4.340 0.000 0.000 0.324 91 R C -1.376 174.873 176.300 -0.086 0.000 0.955 91 R CA -0.550 55.474 56.100 -0.125 0.000 0.830 91 R CB 1.036 31.282 30.300 -0.091 0.000 1.154 91 R HN 0.573 nan 8.270 nan 0.000 0.458 92 L N 5.069 126.239 121.223 -0.088 0.000 2.346 92 L HA 0.576 4.917 4.340 0.000 0.000 0.276 92 L C 0.244 177.148 176.870 0.057 0.000 1.006 92 L CA -1.033 53.809 54.840 0.004 0.000 0.817 92 L CB 1.975 44.075 42.059 0.068 0.000 1.272 92 L HN 0.586 nan 8.230 nan 0.000 0.421 93 R N 1.987 122.502 120.500 0.026 0.000 2.549 93 R HA 0.595 4.935 4.340 0.000 0.000 0.267 93 R C -2.676 173.652 176.300 0.047 0.000 1.045 93 R CA -1.924 54.188 56.100 0.020 0.000 1.115 93 R CB -0.008 30.262 30.300 -0.049 0.000 1.121 93 R HN 0.177 nan 8.270 nan 0.000 0.543 94 P HA -0.061 nan 4.420 nan 0.000 0.262 94 P C -0.797 176.512 177.300 0.016 0.000 1.182 94 P CA 0.636 63.748 63.100 0.020 0.000 0.761 94 P CB 0.228 31.926 31.700 -0.003 0.000 0.795 95 D N -0.829 119.580 120.400 0.015 0.000 3.039 95 D HA -0.189 4.451 4.640 0.000 0.000 0.222 95 D C 0.178 176.489 176.300 0.019 0.000 1.179 95 D CA 1.401 55.408 54.000 0.012 0.000 0.880 95 D CB -0.788 40.014 40.800 0.004 0.000 1.115 95 D HN 0.431 nan 8.370 nan 0.000 0.416 96 D N -0.546 119.872 120.400 0.030 0.000 2.387 96 D HA 0.581 5.221 4.640 0.000 0.000 0.255 96 D C 0.103 176.423 176.300 0.033 0.000 1.081 96 D CA -0.142 53.871 54.000 0.022 0.000 0.994 96 D CB 1.297 42.101 40.800 0.008 0.000 1.127 96 D HN 0.080 nan 8.370 nan 0.000 0.513 97 S N 0.091 115.804 115.700 0.022 0.000 2.704 97 S HA 0.825 5.295 4.470 0.000 0.000 0.296 97 S C -0.924 173.694 174.600 0.030 0.000 1.138 97 S CA -0.839 57.377 58.200 0.027 0.000 0.875 97 S CB 2.570 65.773 63.200 0.005 0.000 1.151 97 S HN 0.357 nan 8.310 nan 0.000 0.500 98 K N 0.709 121.139 120.400 0.049 0.000 2.557 98 K HA 0.482 4.802 4.320 0.000 0.000 0.261 98 K C -1.715 174.940 176.600 0.092 0.000 0.932 98 K CA -0.343 55.986 56.287 0.070 0.000 0.829 98 K CB 1.310 33.864 32.500 0.090 0.000 1.358 98 K HN 0.912 nan 8.250 nan 0.000 0.430 99 N N 1.852 120.582 118.700 0.050 0.000 2.485 99 N HA 0.706 5.446 4.740 0.000 0.000 0.280 99 N C -0.846 174.730 175.510 0.111 0.000 1.205 99 N CA -0.382 52.636 53.050 -0.053 0.000 0.959 99 N CB 0.485 38.910 38.487 -0.102 0.000 1.206 99 N HN 0.420 nan 8.380 nan 0.000 0.545 100 F N -4.150 115.801 119.950 0.002 0.000 2.693 100 F HA 0.633 5.160 4.527 0.000 0.000 0.309 100 F C -0.520 175.300 175.800 0.033 0.000 1.129 100 F CA -1.242 56.765 58.000 0.012 0.000 0.948 100 F CB 1.151 40.154 39.000 0.006 0.000 1.315 100 F HN 0.495 nan 8.300 nan 0.000 0.447 101 S N 1.732 117.566 115.700 0.223 0.000 2.608 101 S HA 0.817 5.287 4.470 0.000 0.000 0.291 101 S C -1.105 173.634 174.600 0.231 0.000 1.146 101 S CA -0.613 57.678 58.200 0.153 0.000 1.043 101 S CB 1.181 64.440 63.200 0.099 0.000 1.037 101 S HN 0.839 nan 8.310 nan 0.000 0.520 102 I N 2.493 123.191 120.570 0.214 0.000 2.656 102 I HA 0.414 4.584 4.170 0.000 0.000 0.292 102 I C -1.291 174.944 176.117 0.198 0.000 1.144 102 I CA -0.497 60.933 61.300 0.217 0.000 1.038 102 I CB 1.993 40.148 38.000 0.257 0.000 1.244 102 I HN 0.691 nan 8.210 nan 0.000 0.420 103 Q N 5.189 125.072 119.800 0.138 0.000 2.309 103 Q HA 0.685 5.025 4.340 0.000 0.000 0.264 103 Q C -1.580 174.484 176.000 0.106 0.000 1.008 103 Q CA -0.818 55.049 55.803 0.107 0.000 0.853 103 Q CB 3.103 31.880 28.738 0.064 0.000 1.314 103 Q HN 0.465 nan 8.270 nan 0.000 0.448 104 V N 2.397 122.372 119.914 0.102 0.000 2.638 104 V HA 0.543 4.663 4.120 0.000 0.000 0.306 104 V C -0.770 175.372 176.094 0.080 0.000 1.052 104 V CA -0.796 61.543 62.300 0.065 0.000 0.885 104 V CB 2.001 33.834 31.823 0.018 0.000 0.999 104 V HN 0.669 nan 8.190 nan 0.000 0.424 105 R N 2.848 123.423 120.500 0.125 0.000 2.621 105 R HA 0.569 4.909 4.340 0.000 0.000 0.292 105 R C -0.803 175.646 176.300 0.248 0.000 0.969 105 R CA -0.811 55.375 56.100 0.144 0.000 0.887 105 R CB 1.893 32.251 30.300 0.097 0.000 1.180 105 R HN 0.704 nan 8.270 nan 0.000 0.450 106 Q N 3.343 123.273 119.800 0.217 0.000 2.369 106 Q HA 0.164 4.504 4.340 0.000 0.000 0.247 106 Q C -0.614 175.404 176.000 0.030 0.000 1.083 106 Q CA 0.098 56.008 55.803 0.178 0.000 0.905 106 Q CB 1.235 30.068 28.738 0.159 0.000 1.305 106 Q HN 0.608 nan 8.270 nan 0.000 0.465 107 V N 2.974 122.892 119.914 0.006 0.000 2.908 107 V HA 0.091 4.211 4.120 0.000 0.000 0.240 107 V C 0.247 176.281 176.094 -0.099 0.000 1.117 107 V CA 0.432 62.712 62.300 -0.034 0.000 1.133 107 V CB -0.091 31.735 31.823 0.005 0.000 0.857 107 V HN 0.666 nan 8.190 nan 0.000 0.478 108 E N 1.726 121.845 120.200 -0.135 0.000 2.392 108 E HA 0.066 4.416 4.350 0.000 0.000 0.264 108 E C -0.714 175.757 176.600 -0.215 0.000 1.024 108 E CA -0.243 56.066 56.400 -0.152 0.000 0.903 108 E CB 0.333 29.932 29.700 -0.168 0.000 0.963 108 E HN 0.374 nan 8.360 nan 0.000 0.432 109 D N 1.601 121.917 120.400 -0.141 0.000 2.382 109 D HA -0.005 4.635 4.640 0.000 0.000 0.240 109 D C -0.375 175.896 176.300 -0.049 0.000 1.146 109 D CA 0.436 54.374 54.000 -0.103 0.000 0.897 109 D CB 0.346 41.147 40.800 0.002 0.000 1.197 109 D HN 0.245 nan 8.370 nan 0.000 0.432 110 Y N 1.125 121.516 120.300 0.153 0.000 2.346 110 Y HA 0.187 4.737 4.550 0.000 0.000 0.330 110 Y C -1.514 174.458 175.900 0.120 0.000 1.178 110 Y CA -2.336 55.794 58.100 0.051 0.000 1.331 110 Y CB -0.053 38.333 38.460 -0.123 0.000 1.253 110 Y HN 0.074 nan 8.280 nan 0.000 0.529 111 P HA 0.150 nan 4.420 nan 0.000 0.276 111 P C -0.959 176.426 177.300 0.140 0.000 1.243 111 P CA 0.081 63.266 63.100 0.141 0.000 0.768 111 P CB 1.233 32.984 31.700 0.085 0.000 0.856 112 V N 4.049 124.055 119.914 0.153 0.000 2.638 112 V HA 0.272 4.392 4.120 0.000 0.000 0.306 112 V C -0.372 175.819 176.094 0.160 0.000 1.052 112 V CA -0.494 61.901 62.300 0.157 0.000 0.885 112 V CB 2.186 34.129 31.823 0.201 0.000 0.999 112 V HN 0.421 nan 8.190 nan 0.000 0.424 113 D N 4.570 125.118 120.400 0.246 0.000 2.280 113 D HA 0.563 5.203 4.640 0.000 0.000 0.236 113 D C -0.466 176.049 176.300 0.358 0.000 1.082 113 D CA 0.045 54.239 54.000 0.323 0.000 0.834 113 D CB 2.008 43.168 40.800 0.600 0.000 1.100 113 D HN 0.335 nan 8.370 nan 0.000 0.486 114 I N 2.700 123.400 120.570 0.216 0.000 2.382 114 I HA 0.208 4.378 4.170 0.000 0.000 0.286 114 I C -1.002 175.261 176.117 0.244 0.000 1.002 114 I CA -1.019 60.416 61.300 0.226 0.000 1.135 114 I CB 1.241 39.285 38.000 0.073 0.000 1.288 114 I HN 0.229 nan 8.210 nan 0.000 0.448 115 Y N 7.410 127.843 120.300 0.223 0.000 2.335 115 Y HA 0.397 4.947 4.550 0.000 0.000 0.338 115 Y C -1.267 174.870 175.900 0.395 0.000 0.977 115 Y CA -0.759 57.465 58.100 0.207 0.000 1.114 115 Y CB 1.129 39.593 38.460 0.006 0.000 1.182 115 Y HN 0.432 nan 8.280 nan 0.000 0.463 116 Y N 6.929 127.125 120.300 -0.173 0.000 2.331 116 Y HA 0.525 5.075 4.550 0.000 0.000 0.338 116 Y C -1.503 174.368 175.900 -0.049 0.000 0.976 116 Y CA -1.502 56.598 58.100 0.001 0.000 1.137 116 Y CB 0.788 39.328 38.460 0.134 0.000 1.172 116 Y HN 0.619 nan 8.280 nan 0.000 0.478 117 L N 7.763 128.900 121.223 -0.143 0.000 2.276 117 L HA 0.455 4.795 4.340 0.000 0.000 0.286 117 L C -0.640 176.068 176.870 -0.271 0.000 1.024 117 L CA -0.392 54.447 54.840 -0.001 0.000 0.826 117 L CB 0.896 43.147 42.059 0.320 0.000 1.211 117 L HN 0.620 nan 8.230 nan 0.000 0.422 118 M N 3.234 122.691 119.600 -0.239 0.000 2.080 118 M HA 0.186 4.666 4.480 0.000 0.000 0.350 118 M C -0.305 175.664 176.300 -0.551 0.000 1.173 118 M CA -0.536 54.523 55.300 -0.402 0.000 1.052 118 M CB 1.077 33.506 32.600 -0.284 0.000 1.577 118 M HN 0.357 nan 8.290 nan 0.000 0.455 119 D N 4.516 124.438 120.400 -0.797 0.000 2.346 119 D HA 0.100 4.740 4.640 0.000 0.000 0.260 119 D C -0.148 175.810 176.300 -0.571 0.000 1.252 119 D CA 0.282 53.585 54.000 -1.161 0.000 0.895 119 D CB 0.640 41.010 40.800 -0.717 0.000 1.097 119 D HN 0.647 nan 8.370 nan 0.000 0.489 120 L N 3.280 124.218 121.223 -0.474 0.000 3.017 120 L HA 0.094 4.434 4.340 0.000 0.000 0.255 120 L C 1.042 177.820 176.870 -0.154 0.000 1.247 120 L CA -0.412 54.309 54.840 -0.199 0.000 1.038 120 L CB -0.108 41.947 42.059 -0.008 0.000 1.380 120 L HN 0.273 nan 8.230 nan 0.000 0.548 121 S N -1.846 113.739 115.700 -0.191 0.000 2.608 121 S HA -0.013 4.457 4.470 0.000 0.000 0.261 121 S C 0.964 175.580 174.600 0.026 0.000 1.314 121 S CA -0.232 57.932 58.200 -0.059 0.000 0.992 121 S CB 0.703 63.880 63.200 -0.038 0.000 0.935 121 S HN 0.270 nan 8.310 nan 0.000 0.564 122 Y N 1.669 121.964 120.300 -0.008 0.000 2.293 122 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 122 Y C 2.714 178.619 175.900 0.009 0.000 1.137 122 Y CA 1.900 60.008 58.100 0.015 0.000 1.202 122 Y CB -0.768 37.721 38.460 0.048 0.000 0.990 122 Y HN 0.854 nan 8.280 nan 0.000 0.537 123 S N -0.751 114.987 115.700 0.065 0.000 2.440 123 S HA -0.196 4.274 4.470 0.000 0.000 0.238 123 S C 1.627 176.175 174.600 -0.086 0.000 1.010 123 S CA 1.321 59.518 58.200 -0.004 0.000 0.972 123 S CB -0.426 62.798 63.200 0.040 0.000 0.774 123 S HN 0.398 nan 8.310 nan 0.000 0.501 124 M N 0.909 120.444 119.600 -0.108 0.000 2.563 124 M HA 0.257 4.737 4.480 0.000 0.000 0.231 124 M C 1.840 178.060 176.300 -0.133 0.000 1.136 124 M CA 0.346 55.579 55.300 -0.111 0.000 1.026 124 M CB -0.719 31.805 32.600 -0.127 0.000 1.597 124 M HN 0.433 nan 8.290 nan 0.000 0.495 125 K N 1.598 121.862 120.400 -0.226 0.000 2.032 125 K HA -0.202 4.118 4.320 0.000 0.000 0.209 125 K C 1.436 177.959 176.600 -0.128 0.000 1.048 125 K CA 1.948 58.093 56.287 -0.235 0.000 0.927 125 K CB 0.023 32.246 32.500 -0.462 0.000 0.712 125 K HN 0.413 nan 8.250 nan 0.000 0.441 126 D N -0.317 120.014 120.400 -0.116 0.000 2.347 126 D HA -0.140 4.500 4.640 0.000 0.000 0.215 126 D C 0.518 176.815 176.300 -0.005 0.000 0.976 126 D CA 0.802 54.770 54.000 -0.054 0.000 0.884 126 D CB -0.002 40.766 40.800 -0.053 0.000 0.915 126 D HN 0.212 nan 8.370 nan 0.000 0.526 127 D N 0.127 120.520 120.400 -0.011 0.000 2.369 127 D HA 0.013 4.653 4.640 0.000 0.000 0.211 127 D C 1.971 178.294 176.300 0.038 0.000 1.077 127 D CA -0.267 53.748 54.000 0.025 0.000 0.842 127 D CB 0.601 41.398 40.800 -0.006 0.000 0.947 127 D HN 0.137 nan 8.370 nan 0.000 0.509 128 L N 0.092 121.328 121.223 0.022 0.000 2.012 128 L HA -0.100 4.240 4.340 0.000 0.000 0.210 128 L C 2.100 178.996 176.870 0.044 0.000 1.073 128 L CA 1.723 56.566 54.840 0.005 0.000 0.748 128 L CB -0.709 41.346 42.059 -0.006 0.000 0.891 128 L HN 0.131 nan 8.230 nan 0.000 0.431 129 W N -0.034 121.233 121.300 -0.055 0.000 2.321 129 W HA -0.264 4.396 4.660 0.000 0.000 0.306 129 W C 2.614 179.112 176.519 -0.034 0.000 1.217 129 W CA 2.280 59.599 57.345 -0.045 0.000 1.257 129 W CB -0.285 29.152 29.460 -0.039 0.000 1.145 129 W HN 0.152 nan 8.180 nan 0.000 0.509 130 S N 0.655 116.514 115.700 0.266 0.000 2.382 130 S HA -0.224 4.246 4.470 0.000 0.000 0.228 130 S C 1.820 176.393 174.600 -0.046 0.000 1.027 130 S CA 1.764 60.049 58.200 0.142 0.000 0.991 130 S CB -0.783 62.531 63.200 0.189 0.000 0.823 130 S HN 0.539 nan 8.310 nan 0.000 0.469 131 I N -0.289 120.261 120.570 -0.033 0.000 2.617 131 I HA -0.070 4.100 4.170 0.000 0.000 0.256 131 I C 2.109 178.201 176.117 -0.042 0.000 1.167 131 I CA 1.023 62.330 61.300 0.012 0.000 1.469 131 I CB -0.490 37.495 38.000 -0.025 0.000 1.098 131 I HN 0.174 nan 8.210 nan 0.000 0.436 132 Q N 1.532 121.208 119.800 -0.207 0.000 2.049 132 Q HA -0.176 4.164 4.340 0.000 0.000 0.198 132 Q C 2.041 177.789 176.000 -0.418 0.000 0.971 132 Q CA 1.961 57.575 55.803 -0.316 0.000 0.833 132 Q CB -0.297 28.229 28.738 -0.353 0.000 0.896 132 Q HN 0.582 nan 8.270 nan 0.000 0.434 133 N N 0.721 119.035 118.700 -0.644 0.000 2.061 133 N HA -0.212 4.528 4.740 0.000 0.000 0.193 133 N C 1.619 176.921 175.510 -0.346 0.000 1.030 133 N CA 1.022 53.675 53.050 -0.663 0.000 0.856 133 N CB -0.209 37.640 38.487 -1.063 0.000 1.023 133 N HN 0.145 nan 8.380 nan 0.000 0.424 134 L N 0.245 121.321 121.223 -0.245 0.000 2.017 134 L HA 0.078 4.418 4.340 0.000 0.000 0.208 134 L C 2.142 178.836 176.870 -0.294 0.000 1.073 134 L CA 2.255 56.994 54.840 -0.168 0.000 0.745 134 L CB -1.329 40.710 42.059 -0.034 0.000 0.894 134 L HN 0.287 nan 8.230 nan 0.000 0.432 135 G N -1.530 107.034 108.800 -0.394 0.000 2.459 135 G HA2 -0.348 3.612 3.960 0.000 0.000 0.217 135 G HA3 -0.348 3.612 3.960 0.000 0.000 0.217 135 G C 1.500 176.296 174.900 -0.172 0.000 1.183 135 G CA 1.646 46.407 45.100 -0.565 0.000 0.776 135 G HN 0.541 nan 8.290 nan 0.000 0.552 136 T N -0.940 113.521 114.554 -0.156 0.000 2.904 136 T HA 0.047 4.397 4.350 0.000 0.000 0.267 136 T C 2.180 176.825 174.700 -0.092 0.000 1.059 136 T CA 1.304 63.363 62.100 -0.069 0.000 1.137 136 T CB -0.090 68.701 68.868 -0.128 0.000 0.879 136 T HN 0.132 nan 8.240 nan 0.000 0.467 137 K N 1.124 121.442 120.400 -0.138 0.000 2.097 137 K HA 0.152 4.472 4.320 0.000 0.000 0.205 137 K C 2.333 178.859 176.600 -0.123 0.000 1.050 137 K CA 0.660 56.877 56.287 -0.115 0.000 0.938 137 K CB -0.680 31.755 32.500 -0.108 0.000 0.718 137 K HN 0.395 nan 8.250 nan 0.000 0.442 138 L N 0.647 121.770 121.223 -0.166 0.000 1.989 138 L HA -0.241 4.099 4.340 0.000 0.000 0.211 138 L C 2.603 179.359 176.870 -0.191 0.000 1.071 138 L CA 1.512 56.242 54.840 -0.183 0.000 0.749 138 L CB -0.611 41.286 42.059 -0.269 0.000 0.890 138 L HN 0.148 nan 8.230 nan 0.000 0.431 139 A N -0.682 122.008 122.820 -0.217 0.000 1.845 139 A HA -0.226 4.094 4.320 0.000 0.000 0.215 139 A C 2.327 179.822 177.584 -0.149 0.000 1.195 139 A CA 2.517 54.403 52.037 -0.252 0.000 0.616 139 A CB -1.095 17.761 19.000 -0.239 0.000 0.832 139 A HN 0.415 nan 8.150 nan 0.000 0.443 140 T N -0.064 114.431 114.554 -0.099 0.000 2.708 140 T HA -0.138 4.212 4.350 0.000 0.000 0.266 140 T C 2.108 176.759 174.700 -0.083 0.000 1.037 140 T CA 1.600 63.655 62.100 -0.075 0.000 1.146 140 T CB -0.242 68.592 68.868 -0.057 0.000 0.865 140 T HN 0.449 nan 8.240 nan 0.000 0.435 141 Q N 0.192 119.939 119.800 -0.089 0.000 2.123 141 Q HA 0.158 4.498 4.340 0.000 0.000 0.199 141 Q C 2.289 178.223 176.000 -0.110 0.000 0.966 141 Q CA 0.811 56.562 55.803 -0.086 0.000 0.845 141 Q CB -0.319 28.375 28.738 -0.074 0.000 0.907 141 Q HN 0.436 nan 8.270 nan 0.000 0.439 142 M N 0.226 119.750 119.600 -0.126 0.000 2.394 142 M HA -0.051 4.429 4.480 0.000 0.000 0.264 142 M C 1.949 178.154 176.300 -0.158 0.000 1.073 142 M CA 0.926 56.133 55.300 -0.154 0.000 1.111 142 M CB -0.669 31.848 32.600 -0.138 0.000 1.401 142 M HN 0.039 nan 8.290 nan 0.000 0.448 143 R N 1.146 121.569 120.500 -0.128 0.000 2.092 143 R HA -0.055 4.285 4.340 0.000 0.000 0.231 143 R C 1.877 178.115 176.300 -0.103 0.000 1.119 143 R CA 1.589 57.625 56.100 -0.107 0.000 0.970 143 R CB -0.259 29.988 30.300 -0.089 0.000 0.864 143 R HN 0.280 nan 8.270 nan 0.000 0.440 144 K N -0.365 119.974 120.400 -0.101 0.000 2.097 144 K HA -0.106 4.214 4.320 0.000 0.000 0.205 144 K C 1.796 178.323 176.600 -0.123 0.000 1.050 144 K CA 1.291 57.523 56.287 -0.092 0.000 0.938 144 K CB -0.247 32.208 32.500 -0.076 0.000 0.718 144 K HN 0.086 nan 8.250 nan 0.000 0.442 145 L N 0.481 121.598 121.223 -0.178 0.000 2.109 145 L HA -0.023 4.317 4.340 0.000 0.000 0.207 145 L C 0.603 177.262 176.870 -0.351 0.000 1.086 145 L CA 1.541 56.212 54.840 -0.281 0.000 0.760 145 L CB 0.198 42.027 42.059 -0.383 0.000 0.910 145 L HN 0.013 nan 8.230 nan 0.000 0.437 146 T N -2.378 112.009 114.554 -0.278 0.000 3.109 146 T HA 0.250 4.600 4.350 0.000 0.000 0.311 146 T C 0.816 175.464 174.700 -0.088 0.000 1.011 146 T CA 0.006 62.003 62.100 -0.172 0.000 1.026 146 T CB 1.046 69.827 68.868 -0.145 0.000 1.047 146 T HN 0.279 nan 8.240 nan 0.000 0.448 147 S N 3.791 119.458 115.700 -0.056 0.000 2.515 147 S HA 0.021 4.491 4.470 0.000 0.000 0.231 147 S C 1.045 175.632 174.600 -0.022 0.000 0.987 147 S CA 0.352 58.528 58.200 -0.041 0.000 0.936 147 S CB -0.177 63.001 63.200 -0.037 0.000 0.766 147 S HN 0.698 nan 8.310 nan 0.000 0.528 148 N N 1.448 120.148 118.700 -0.000 0.000 2.320 148 N HA 0.254 4.994 4.740 0.000 0.000 0.237 148 N C -0.386 175.145 175.510 0.035 0.000 1.129 148 N CA -0.153 52.911 53.050 0.023 0.000 0.854 148 N CB 0.313 38.827 38.487 0.044 0.000 1.083 148 N HN 0.406 nan 8.380 nan 0.000 0.504 149 L N 1.355 122.580 121.223 0.004 0.000 2.416 149 L HA 0.163 4.503 4.340 0.000 0.000 0.272 149 L C 0.103 176.966 176.870 -0.011 0.000 1.161 149 L CA 0.285 55.121 54.840 -0.006 0.000 0.845 149 L CB 0.408 42.431 42.059 -0.061 0.000 1.119 149 L HN -0.039 nan 8.230 nan 0.000 0.464 150 R N 5.871 126.376 120.500 0.008 0.000 2.599 150 R HA 0.636 4.976 4.340 0.000 0.000 0.295 150 R C -1.275 175.002 176.300 -0.039 0.000 0.963 150 R CA -0.846 55.249 56.100 -0.008 0.000 0.883 150 R CB 2.097 32.414 30.300 0.028 0.000 1.171 150 R HN 0.726 nan 8.270 nan 0.000 0.450 151 I N 0.913 121.418 120.570 -0.109 0.000 2.686 151 I HA 0.668 4.838 4.170 0.000 0.000 0.295 151 I C -0.787 175.285 176.117 -0.076 0.000 1.114 151 I CA -0.347 60.823 61.300 -0.218 0.000 1.038 151 I CB 2.268 39.904 38.000 -0.607 0.000 1.238 151 I HN 0.762 nan 8.210 nan 0.000 0.420 152 G N 5.135 114.016 108.800 0.136 0.000 2.727 152 G HA2 0.737 4.697 3.960 0.000 0.000 0.289 152 G HA3 0.737 4.697 3.960 0.000 0.000 0.289 152 G C -1.777 173.398 174.900 0.458 0.000 1.418 152 G CA -0.591 44.758 45.100 0.416 0.000 0.818 152 G HN 0.720 nan 8.290 nan 0.000 0.486 153 F N -1.865 118.118 119.950 0.055 0.000 2.741 153 F HA 0.891 5.418 4.527 0.000 0.000 0.313 153 F C -0.136 175.505 175.800 -0.264 0.000 1.153 153 F CA -0.558 57.228 58.000 -0.357 0.000 0.931 153 F CB 1.500 40.512 39.000 0.020 0.000 1.335 153 F HN 1.067 nan 8.300 nan 0.000 0.460 154 G N -0.049 108.672 108.800 -0.131 0.000 2.708 154 G HA2 0.866 4.826 3.960 0.000 0.000 0.289 154 G HA3 0.866 4.826 3.960 0.000 0.000 0.289 154 G C -2.301 172.800 174.900 0.334 0.000 1.416 154 G CA -0.582 44.599 45.100 0.135 0.000 0.829 154 G HN 1.378 nan 8.290 nan 0.000 0.480 155 A N -0.844 122.194 122.820 0.364 0.000 2.515 155 A HA 0.956 5.276 4.320 0.000 0.000 0.296 155 A C -1.174 176.835 177.584 0.707 0.000 1.094 155 A CA -0.726 51.553 52.037 0.402 0.000 0.718 155 A CB 1.440 20.634 19.000 0.324 0.000 1.307 155 A HN 1.901 nan 8.150 nan 0.000 0.408 156 F N -0.562 119.633 119.950 0.408 0.000 2.626 156 F HA 0.808 5.335 4.527 -0.000 0.000 0.311 156 F C -0.449 175.310 175.800 -0.068 0.000 1.088 156 F CA -0.799 57.385 58.000 0.306 0.000 0.949 156 F CB 0.905 40.097 39.000 0.319 0.000 1.322 156 F HN 0.358 nan 8.300 nan 0.000 0.461 157 V N -0.702 119.154 119.914 -0.098 0.000 4.508 157 V HA 0.438 4.558 4.120 0.000 0.000 0.169 157 V C -0.924 175.283 176.094 0.188 0.000 1.084 157 V CA 0.511 62.728 62.300 -0.138 0.000 1.371 157 V CB 0.613 32.181 31.823 -0.425 0.000 1.878 157 V HN 0.894 nan 8.190 nan 0.000 0.506 158 D N -1.327 119.146 120.400 0.122 0.000 2.713 158 D HA 0.275 4.915 4.640 0.000 0.000 0.306 158 D C -1.451 174.946 176.300 0.161 0.000 1.299 158 D CA -0.631 53.476 54.000 0.177 0.000 0.823 158 D CB 1.520 42.385 40.800 0.108 0.000 1.353 158 D HN 0.097 nan 8.370 nan 0.000 0.447 159 K N 1.671 122.145 120.400 0.123 0.000 2.402 159 K HA 0.224 4.544 4.320 0.000 0.000 0.285 159 K C -1.929 174.791 176.600 0.199 0.000 1.054 159 K CA -1.090 55.282 56.287 0.141 0.000 1.001 159 K CB 0.519 33.065 32.500 0.075 0.000 0.946 159 K HN 0.119 nan 8.250 nan 0.000 0.473 160 P HA 0.007 nan 4.420 nan 0.000 0.241 160 P C -0.815 176.552 177.300 0.112 0.000 1.760 160 P CA 0.131 63.315 63.100 0.141 0.000 1.081 160 P CB 0.186 31.969 31.700 0.138 0.000 1.975 161 V N 1.125 121.121 119.914 0.137 0.000 2.969 161 V HA 0.334 4.454 4.120 0.000 0.000 0.304 161 V C -0.350 175.741 176.094 -0.005 0.000 1.192 161 V CA -0.767 61.570 62.300 0.062 0.000 0.962 161 V CB 2.425 34.280 31.823 0.054 0.000 1.045 161 V HN 0.274 nan 8.190 nan 0.000 0.428 162 S N 6.311 121.971 115.700 -0.065 0.000 2.560 162 S HA 0.327 4.797 4.470 0.000 0.000 0.284 162 S C -1.414 173.015 174.600 -0.285 0.000 1.327 162 S CA -0.007 58.110 58.200 -0.137 0.000 1.055 162 S CB 1.135 64.281 63.200 -0.090 0.000 0.868 162 S HN 0.811 nan 8.310 nan 0.000 0.506 163 P HA 0.110 nan 4.420 nan 0.000 0.255 163 P C 0.394 177.546 177.300 -0.247 0.000 1.248 163 P CA 0.338 63.267 63.100 -0.286 0.000 0.807 163 P CB -0.125 31.426 31.700 -0.248 0.000 1.150 164 Y N -0.244 120.022 120.300 -0.055 0.000 2.242 164 Y HA 0.006 4.556 4.550 -0.000 0.000 0.291 164 Y C 1.874 177.690 175.900 -0.139 0.000 1.137 164 Y CA 0.131 58.202 58.100 -0.049 0.000 1.181 164 Y CB -0.327 38.154 38.460 0.035 0.000 0.989 164 Y HN -0.043 nan 8.280 nan 0.000 0.527 165 M N 0.041 119.651 119.600 0.018 0.000 2.318 165 M HA 0.258 4.738 4.480 0.000 0.000 0.347 165 M C -1.427 174.809 176.300 -0.107 0.000 1.175 165 M CA -0.675 54.612 55.300 -0.021 0.000 1.075 165 M CB 0.751 33.389 32.600 0.064 0.000 1.614 165 M HN 0.027 nan 8.290 nan 0.000 0.456 166 Y N 5.110 125.440 120.300 0.050 0.000 2.465 166 Y HA 0.176 4.726 4.550 -0.000 0.000 0.331 166 Y C 0.966 176.876 175.900 0.017 0.000 1.102 166 Y CA -0.097 58.019 58.100 0.028 0.000 1.358 166 Y CB 0.236 38.711 38.460 0.024 0.000 1.213 166 Y HN 0.664 nan 8.280 nan 0.000 0.525 167 I N -0.719 119.938 120.570 0.144 0.000 4.050 167 I HA 0.399 4.569 4.170 0.000 0.000 0.327 167 I C -0.243 175.903 176.117 0.048 0.000 1.473 167 I CA -0.209 61.134 61.300 0.071 0.000 1.124 167 I CB 0.265 38.284 38.000 0.032 0.000 1.129 167 I HN 0.364 nan 8.210 nan 0.000 0.428 168 S N 0.426 116.166 115.700 0.066 0.000 2.550 168 S HA 0.707 5.177 4.470 0.000 0.000 0.270 168 S C -2.892 171.716 174.600 0.013 0.000 1.145 168 S CA -0.971 57.242 58.200 0.022 0.000 0.852 168 S CB 1.506 64.723 63.200 0.028 0.000 1.119 168 S HN 0.014 nan 8.310 nan 0.000 0.465 169 P HA 0.350 nan 4.420 nan 0.000 0.275 169 P C -2.086 175.128 177.300 -0.143 0.000 1.270 169 P CA -1.161 61.883 63.100 -0.092 0.000 0.791 169 P CB -0.757 30.866 31.700 -0.127 0.000 1.089 170 P HA -0.168 nan 4.420 nan 0.000 0.217 170 P C 1.149 178.344 177.300 -0.174 0.000 1.148 170 P CA 1.548 64.578 63.100 -0.118 0.000 0.828 170 P CB -0.085 31.560 31.700 -0.092 0.000 0.783 171 E N -0.492 119.508 120.200 -0.334 0.000 2.268 171 E HA -0.087 4.263 4.350 0.000 0.000 0.195 171 E C 2.059 178.465 176.600 -0.322 0.000 0.995 171 E CA 1.139 57.279 56.400 -0.433 0.000 0.836 171 E CB -0.939 28.201 29.700 -0.934 0.000 0.763 171 E HN 0.190 nan 8.360 nan 0.000 0.491 172 A N 0.355 123.013 122.820 -0.269 0.000 2.067 172 A HA -0.112 4.208 4.320 0.000 0.000 0.219 172 A C 2.002 179.590 177.584 0.007 0.000 1.158 172 A CA 0.813 52.805 52.037 -0.076 0.000 0.661 172 A CB -0.447 18.541 19.000 -0.021 0.000 0.801 172 A HN 0.202 nan 8.150 nan 0.000 0.452 173 L N -1.087 120.130 121.223 -0.010 0.000 2.056 173 L HA -0.140 4.200 4.340 0.000 0.000 0.207 173 L C 2.604 179.500 176.870 0.044 0.000 1.078 173 L CA 1.707 56.565 54.840 0.030 0.000 0.749 173 L CB -0.303 41.764 42.059 0.012 0.000 0.901 173 L HN 0.445 nan 8.230 nan 0.000 0.433 174 E N 0.171 120.384 120.200 0.021 0.000 2.230 174 E HA -0.110 4.240 4.350 0.000 0.000 0.192 174 E C 0.484 177.121 176.600 0.061 0.000 0.987 174 E CA 0.413 56.838 56.400 0.040 0.000 0.841 174 E CB 0.190 29.903 29.700 0.022 0.000 0.783 174 E HN 0.219 nan 8.360 nan 0.000 0.481 175 N N -0.101 118.633 118.700 0.057 0.000 2.716 175 N HA 0.251 4.991 4.740 0.000 0.000 0.253 175 N C -2.470 173.091 175.510 0.085 0.000 1.170 175 N CA -2.172 50.930 53.050 0.087 0.000 0.807 175 N CB 1.461 40.019 38.487 0.118 0.000 1.183 175 N HN -0.177 nan 8.380 nan 0.000 0.524 176 P HA -0.039 nan 4.420 nan 0.000 0.221 176 P C 0.451 177.714 177.300 -0.061 0.000 1.145 176 P CA 0.962 64.093 63.100 0.053 0.000 0.795 176 P CB 0.223 31.998 31.700 0.124 0.000 0.775 177 c N -3.193 115.392 118.600 -0.026 0.000 2.613 177 c HA 0.123 4.693 4.570 0.000 0.000 0.273 177 c C 2.208 176.272 174.090 -0.044 0.000 1.304 177 c CA -0.651 55.621 56.329 -0.096 0.000 1.702 177 c CB -2.483 40.000 42.510 -0.046 0.000 1.792 177 c HN 0.252 nan 8.230 nan 0.000 0.588 178 Y N 3.743 123.978 120.300 -0.108 0.000 2.102 178 Y HA -0.284 4.266 4.550 0.000 0.000 0.280 178 Y C 2.211 178.055 175.900 -0.093 0.000 1.178 178 Y CA 2.473 60.525 58.100 -0.079 0.000 1.146 178 Y CB -0.230 38.192 38.460 -0.064 0.000 0.968 178 Y HN 0.494 nan 8.280 nan 0.000 0.504 179 D N -0.556 119.791 120.400 -0.088 0.000 2.371 179 D HA -0.167 4.473 4.640 0.000 0.000 0.221 179 D C 1.388 177.576 176.300 -0.188 0.000 0.986 179 D CA 1.116 55.017 54.000 -0.165 0.000 0.899 179 D CB -0.615 40.127 40.800 -0.097 0.000 0.902 179 D HN 0.517 nan 8.370 nan 0.000 0.530 180 M N -0.190 119.302 119.600 -0.180 0.000 2.431 180 M HA 0.142 4.622 4.480 0.000 0.000 0.237 180 M C -0.070 176.155 176.300 -0.124 0.000 1.130 180 M CA -0.126 55.091 55.300 -0.137 0.000 1.002 180 M CB 0.162 32.686 32.600 -0.128 0.000 1.524 180 M HN -0.208 nan 8.290 nan 0.000 0.482 181 K N 1.446 121.736 120.400 -0.183 0.000 3.071 181 K HA -0.164 4.156 4.320 0.000 0.000 0.265 181 K C 0.004 176.551 176.600 -0.088 0.000 1.060 181 K CA 1.088 57.276 56.287 -0.165 0.000 0.767 181 K CB -2.406 30.013 32.500 -0.134 0.000 1.241 181 K HN 0.626 nan 8.250 nan 0.000 0.486 182 T N -3.958 110.558 114.554 -0.063 0.000 2.716 182 T HA 0.583 4.933 4.350 0.000 0.000 0.286 182 T C -0.181 174.529 174.700 0.017 0.000 1.052 182 T CA -0.736 61.360 62.100 -0.007 0.000 1.024 182 T CB 2.527 71.411 68.868 0.027 0.000 1.349 182 T HN -0.024 nan 8.240 nan 0.000 0.525 183 T N 0.823 115.406 114.554 0.048 0.000 2.863 183 T HA 0.738 5.088 4.350 0.000 0.000 0.285 183 T C -0.194 174.561 174.700 0.092 0.000 1.009 183 T CA -0.625 61.515 62.100 0.067 0.000 0.989 183 T CB 0.541 69.446 68.868 0.061 0.000 1.004 183 T HN 1.218 nan 8.240 nan 0.000 0.455 184 c N 1.448 120.109 118.600 0.102 0.000 3.323 184 c HA 0.792 5.362 4.570 0.000 0.000 0.324 184 c C -0.485 173.680 174.090 0.124 0.000 1.428 184 c CA -1.407 54.999 56.329 0.128 0.000 1.368 184 c CB -0.176 42.440 42.510 0.177 0.000 1.731 184 c HN 0.867 nan 8.230 nan 0.000 0.455 185 L N 1.840 123.151 121.223 0.146 0.000 2.436 185 L HA 0.396 4.736 4.340 0.000 0.000 0.265 185 L C -1.997 174.984 176.870 0.186 0.000 1.168 185 L CA -1.215 53.723 54.840 0.163 0.000 0.815 185 L CB 0.460 42.640 42.059 0.203 0.000 1.109 185 L HN 0.469 nan 8.230 nan 0.000 0.462 186 P HA -0.043 nan 4.420 nan 0.000 0.266 186 P C -0.363 177.107 177.300 0.283 0.000 1.193 186 P CA 0.085 63.304 63.100 0.198 0.000 0.770 186 P CB 0.454 32.258 31.700 0.173 0.000 0.836 187 M N 3.905 123.631 119.600 0.211 0.000 2.240 187 M HA 0.409 4.889 4.480 0.000 0.000 0.333 187 M C -0.703 175.763 176.300 0.277 0.000 1.110 187 M CA 0.466 55.854 55.300 0.147 0.000 1.173 187 M CB -0.128 32.537 32.600 0.109 0.000 1.458 187 M HN 0.339 nan 8.290 nan 0.000 0.458 188 F N 0.844 120.906 119.950 0.186 0.000 2.693 188 F HA 0.691 5.218 4.527 0.000 0.000 0.309 188 F C 0.102 176.065 175.800 0.271 0.000 1.129 188 F CA -0.645 57.497 58.000 0.235 0.000 0.948 188 F CB 0.366 39.536 39.000 0.284 0.000 1.315 188 F HN 0.557 nan 8.300 nan 0.000 0.447 189 G N 0.312 109.406 108.800 0.490 0.000 2.607 189 G HA2 0.120 4.080 3.960 0.000 0.000 0.215 189 G HA3 0.120 4.080 3.960 0.000 0.000 0.215 189 G C -1.172 174.121 174.900 0.654 0.000 1.275 189 G CA 1.112 46.493 45.100 0.468 0.000 0.842 189 G HN 0.859 nan 8.290 nan 0.000 0.555 190 Y N 0.518 121.164 120.300 0.577 0.000 2.386 190 Y HA 0.661 5.211 4.550 0.000 0.000 0.334 190 Y C -0.895 175.197 175.900 0.321 0.000 1.002 190 Y CA -1.547 56.857 58.100 0.507 0.000 1.068 190 Y CB 1.532 40.211 38.460 0.364 0.000 1.203 190 Y HN 0.002 nan 8.280 nan 0.000 0.443 191 K N 4.765 124.973 120.400 -0.319 0.000 2.307 191 K HA 0.192 4.512 4.320 0.000 0.000 0.263 191 K C -1.426 174.709 176.600 -0.776 0.000 0.973 191 K CA -0.999 54.840 56.287 -0.747 0.000 0.846 191 K CB 0.751 32.771 32.500 -0.801 0.000 1.100 191 K HN 0.771 nan 8.250 nan 0.000 0.438 192 H N 2.513 121.087 119.070 -0.826 0.000 2.767 192 H HA 0.107 4.663 4.556 0.000 0.000 0.316 192 H C 0.263 175.379 175.328 -0.354 0.000 1.059 192 H CA 0.060 55.869 56.048 -0.399 0.000 1.461 192 H CB 0.645 30.275 29.762 -0.220 0.000 1.475 192 H HN 0.332 nan 8.280 nan 0.000 0.531 193 V N 4.684 124.096 119.914 -0.835 0.000 3.013 193 V HA 0.140 4.260 4.120 0.000 0.000 0.238 193 V C -0.377 175.195 176.094 -0.869 0.000 1.161 193 V CA 0.092 61.883 62.300 -0.848 0.000 1.170 193 V CB 0.180 31.384 31.823 -1.032 0.000 0.917 193 V HN 0.534 nan 8.190 nan 0.000 0.478 194 L N 0.599 121.252 121.223 -0.950 0.000 2.482 194 L HA 0.560 4.900 4.340 0.000 0.000 0.269 194 L C -0.154 176.630 176.870 -0.143 0.000 0.967 194 L CA 0.109 54.668 54.840 -0.468 0.000 0.851 194 L CB 1.524 43.415 42.059 -0.281 0.000 1.242 194 L HN 0.066 nan 8.230 nan 0.000 0.404 195 T N 4.809 119.367 114.554 0.006 0.000 2.932 195 T HA 0.266 4.616 4.350 0.000 0.000 0.312 195 T C 0.574 175.351 174.700 0.128 0.000 1.071 195 T CA -0.166 62.057 62.100 0.205 0.000 1.128 195 T CB 0.189 69.145 68.868 0.147 0.000 0.984 195 T HN 0.478 nan 8.240 nan 0.000 0.549 196 L N 2.863 124.126 121.223 0.067 0.000 2.700 196 L HA 0.114 4.454 4.340 0.000 0.000 0.276 196 L C 0.990 177.878 176.870 0.030 0.000 1.200 196 L CA 0.406 55.262 54.840 0.026 0.000 0.951 196 L CB -0.272 41.738 42.059 -0.082 0.000 1.226 196 L HN 0.666 nan 8.230 nan 0.000 0.489 197 T N 0.279 114.857 114.554 0.039 0.000 2.896 197 T HA 0.282 4.632 4.350 0.000 0.000 0.297 197 T C 0.191 174.895 174.700 0.007 0.000 1.108 197 T CA -0.690 61.430 62.100 0.034 0.000 1.004 197 T CB 1.511 70.417 68.868 0.062 0.000 1.159 197 T HN 0.690 nan 8.240 nan 0.000 0.499 198 D N 1.361 121.766 120.400 0.008 0.000 2.349 198 D HA 0.052 4.692 4.640 0.000 0.000 0.214 198 D C 0.369 176.668 176.300 -0.001 0.000 1.063 198 D CA 0.097 54.092 54.000 -0.008 0.000 0.847 198 D CB 0.001 40.798 40.800 -0.004 0.000 0.933 198 D HN 0.519 nan 8.370 nan 0.000 0.513 199 Q N 0.934 120.748 119.800 0.023 0.000 2.664 199 Q HA 0.183 4.523 4.340 0.000 0.000 0.223 199 Q C 0.981 177.020 176.000 0.066 0.000 1.298 199 Q CA -0.321 55.506 55.803 0.040 0.000 0.965 199 Q CB 1.325 30.093 28.738 0.050 0.000 1.510 199 Q HN 0.028 nan 8.270 nan 0.000 0.567 200 V N 1.164 121.097 119.914 0.032 0.000 2.332 200 V HA -0.295 3.825 4.120 0.000 0.000 0.248 200 V C 1.954 178.111 176.094 0.105 0.000 1.055 200 V CA 2.297 64.622 62.300 0.042 0.000 1.038 200 V CB -0.346 31.466 31.823 -0.019 0.000 0.651 200 V HN 0.718 nan 8.190 nan 0.000 0.450 201 T N -0.399 114.192 114.554 0.062 0.000 2.720 201 T HA -0.264 4.086 4.350 0.000 0.000 0.268 201 T C 2.034 176.774 174.700 0.066 0.000 1.037 201 T CA 1.967 64.097 62.100 0.051 0.000 1.144 201 T CB -0.283 68.600 68.868 0.026 0.000 0.864 201 T HN 0.444 nan 8.240 nan 0.000 0.444 202 R N -0.075 120.474 120.500 0.081 0.000 2.081 202 R HA -0.074 4.266 4.340 0.000 0.000 0.235 202 R C 2.275 178.646 176.300 0.118 0.000 1.131 202 R CA 1.391 57.539 56.100 0.080 0.000 0.960 202 R CB -0.532 29.814 30.300 0.078 0.000 0.856 202 R HN 0.440 nan 8.270 nan 0.000 0.436 203 F N 2.124 122.092 119.950 0.029 0.000 2.126 203 F HA -0.241 4.286 4.527 0.000 0.000 0.299 203 F C 1.721 177.511 175.800 -0.016 0.000 1.096 203 F CA 1.847 59.882 58.000 0.058 0.000 1.255 203 F CB -0.296 38.730 39.000 0.043 0.000 0.997 203 F HN 0.101 nan 8.300 nan 0.000 0.479 204 N N 0.787 119.538 118.700 0.085 0.000 2.166 204 N HA -0.169 4.571 4.740 0.000 0.000 0.186 204 N C 1.732 177.144 175.510 -0.163 0.000 1.019 204 N CA 1.718 54.719 53.050 -0.081 0.000 0.856 204 N CB -0.517 37.980 38.487 0.017 0.000 0.993 204 N HN 0.532 nan 8.380 nan 0.000 0.426 205 E N 0.628 120.778 120.200 -0.085 0.000 2.077 205 E HA -0.128 4.222 4.350 0.000 0.000 0.193 205 E C 1.576 178.115 176.600 -0.101 0.000 0.989 205 E CA 0.762 57.117 56.400 -0.075 0.000 0.800 205 E CB 0.083 29.766 29.700 -0.029 0.000 0.746 205 E HN 0.311 nan 8.360 nan 0.000 0.452 206 E N 0.403 120.543 120.200 -0.101 0.000 2.072 206 E HA -0.117 4.233 4.350 0.000 0.000 0.191 206 E C 2.347 178.833 176.600 -0.190 0.000 0.985 206 E CA 0.587 56.961 56.400 -0.044 0.000 0.801 206 E CB -0.254 29.529 29.700 0.138 0.000 0.750 206 E HN 0.115 nan 8.360 nan 0.000 0.452 207 V N 1.679 121.262 119.914 -0.551 0.000 2.392 207 V HA -0.252 3.868 4.120 0.000 0.000 0.249 207 V C 2.138 177.995 176.094 -0.395 0.000 1.059 207 V CA 1.789 63.626 62.300 -0.773 0.000 1.051 207 V CB -0.383 30.859 31.823 -0.969 0.000 0.658 207 V HN 0.216 nan 8.190 nan 0.000 0.455 208 K N -0.366 119.867 120.400 -0.279 0.000 2.365 208 K HA -0.061 4.259 4.320 0.000 0.000 0.199 208 K C 1.967 178.499 176.600 -0.113 0.000 1.045 208 K CA 0.659 56.839 56.287 -0.179 0.000 0.962 208 K CB -0.067 32.349 32.500 -0.140 0.000 0.759 208 K HN 0.427 nan 8.250 nan 0.000 0.469 209 K N 0.415 120.756 120.400 -0.098 0.000 2.418 209 K HA 0.024 4.344 4.320 0.000 0.000 0.195 209 K C 0.224 176.804 176.600 -0.032 0.000 1.035 209 K CA 0.277 56.535 56.287 -0.048 0.000 1.003 209 K CB 0.339 32.822 32.500 -0.028 0.000 0.793 209 K HN 0.056 nan 8.250 nan 0.000 0.494 210 Q N 1.271 121.039 119.800 -0.054 0.000 2.332 210 Q HA 0.069 4.409 4.340 0.000 0.000 0.263 210 Q C 0.161 176.154 176.000 -0.012 0.000 0.979 210 Q CA 0.230 56.020 55.803 -0.020 0.000 0.885 210 Q CB 1.471 30.180 28.738 -0.048 0.000 1.218 210 Q HN 0.165 nan 8.270 nan 0.000 0.405 211 S N -0.531 115.184 115.700 0.025 0.000 2.704 211 S HA 0.743 5.213 4.470 0.000 0.000 0.296 211 S C -0.046 174.591 174.600 0.062 0.000 1.138 211 S CA -0.849 57.371 58.200 0.033 0.000 0.875 211 S CB 1.130 64.355 63.200 0.042 0.000 1.151 211 S HN 0.431 nan 8.310 nan 0.000 0.500 212 V N -0.787 119.160 119.914 0.055 0.000 2.904 212 V HA 0.828 4.948 4.120 0.000 0.000 0.305 212 V C 0.440 176.618 176.094 0.140 0.000 1.067 212 V CA -0.233 62.108 62.300 0.069 0.000 1.044 212 V CB 1.027 32.859 31.823 0.015 0.000 1.050 212 V HN 1.065 nan 8.190 nan 0.000 0.475 213 S N 1.506 117.290 115.700 0.139 0.000 2.694 213 S HA 0.743 5.213 4.470 0.000 0.000 0.286 213 S C -0.318 174.401 174.600 0.197 0.000 1.080 213 S CA -0.929 57.367 58.200 0.159 0.000 0.953 213 S CB 1.403 64.668 63.200 0.108 0.000 1.313 213 S HN 1.104 nan 8.310 nan 0.000 0.555 214 R N 0.509 121.104 120.500 0.159 0.000 2.594 214 R HA 0.376 4.716 4.340 0.000 0.000 0.265 214 R C -1.619 174.803 176.300 0.203 0.000 1.070 214 R CA -0.344 55.869 56.100 0.188 0.000 0.909 214 R CB 1.046 31.395 30.300 0.081 0.000 1.243 214 R HN 1.016 nan 8.270 nan 0.000 0.455 215 N N 0.536 119.356 118.700 0.200 0.000 3.229 215 N HA 0.346 5.086 4.740 0.000 0.000 0.315 215 N C -0.005 175.531 175.510 0.043 0.000 1.520 215 N CA -1.030 52.087 53.050 0.111 0.000 0.769 215 N CB 1.710 40.240 38.487 0.071 0.000 1.766 215 N HN 0.481 nan 8.380 nan 0.000 0.618 216 R N -0.678 119.693 120.500 -0.214 0.000 2.087 216 R HA 0.037 4.377 4.340 0.000 0.000 0.216 216 R C -0.601 175.701 176.300 0.003 0.000 1.114 216 R CA 0.770 56.718 56.100 -0.254 0.000 1.002 216 R CB -0.188 29.801 30.300 -0.518 0.000 0.903 216 R HN 0.825 nan 8.270 nan 0.000 0.445 217 D N -0.604 119.839 120.400 0.070 0.000 2.163 217 D HA 0.160 4.800 4.640 0.000 0.000 0.248 217 D C 0.410 176.749 176.300 0.065 0.000 1.035 217 D CA -0.030 54.035 54.000 0.107 0.000 0.872 217 D CB 1.851 42.779 40.800 0.214 0.000 1.183 217 D HN 0.132 nan 8.370 nan 0.000 0.445 218 A N 2.626 125.462 122.820 0.026 0.000 1.883 218 A HA 0.030 4.350 4.320 0.000 0.000 0.217 218 A C -1.421 176.116 177.584 -0.078 0.000 1.186 218 A CA 0.790 52.825 52.037 -0.004 0.000 0.624 218 A CB -1.665 17.333 19.000 -0.004 0.000 0.822 218 A HN 0.581 nan 8.150 nan 0.000 0.444 219 P HA 0.277 nan 4.420 nan 0.000 0.271 219 P C -0.240 176.778 177.300 -0.470 0.000 1.216 219 P CA 0.194 63.011 63.100 -0.471 0.000 0.771 219 P CB 0.752 31.923 31.700 -0.881 0.000 0.864 220 E N 1.136 121.192 120.200 -0.241 0.000 2.316 220 E HA 0.430 4.780 4.350 0.000 0.000 0.258 220 E C 0.921 177.554 176.600 0.055 0.000 0.952 220 E CA -0.900 55.521 56.400 0.035 0.000 0.818 220 E CB 0.888 30.739 29.700 0.251 0.000 1.260 220 E HN 0.440 nan 8.360 nan 0.000 0.416 221 G N -0.198 108.747 108.800 0.240 0.000 3.591 221 G HA2 0.164 4.124 3.960 0.000 0.000 0.282 221 G HA3 0.164 4.124 3.960 0.000 0.000 0.282 221 G C 0.979 175.907 174.900 0.046 0.000 1.238 221 G CA 0.253 45.514 45.100 0.268 0.000 0.993 221 G HN 0.465 nan 8.290 nan 0.000 0.542 222 G N 0.698 109.321 108.800 -0.294 0.000 2.448 222 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 222 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 222 G C 1.351 176.197 174.900 -0.090 0.000 1.127 222 G CA 0.450 45.051 45.100 -0.831 0.000 0.766 222 G HN 0.344 nan 8.290 nan 0.000 0.552 223 F N 1.480 121.302 119.950 -0.212 0.000 2.293 223 F HA 0.056 4.583 4.527 0.000 0.000 0.300 223 F C 2.229 177.949 175.800 -0.132 0.000 1.086 223 F CA 0.200 58.086 58.000 -0.191 0.000 1.375 223 F CB -0.462 38.456 39.000 -0.137 0.000 1.045 223 F HN 0.099 nan 8.300 nan 0.000 0.516 224 D N 0.098 120.585 120.400 0.145 0.000 2.104 224 D HA -0.149 4.491 4.640 0.000 0.000 0.194 224 D C 2.396 178.525 176.300 -0.285 0.000 0.994 224 D CA 1.523 55.500 54.000 -0.038 0.000 0.830 224 D CB -0.447 40.430 40.800 0.128 0.000 0.959 224 D HN 0.186 nan 8.370 nan 0.000 0.452 225 A N 0.552 123.222 122.820 -0.250 0.000 1.902 225 A HA -0.136 4.184 4.320 0.000 0.000 0.217 225 A C 2.420 179.740 177.584 -0.440 0.000 1.181 225 A CA 0.914 52.626 52.037 -0.541 0.000 0.623 225 A CB -0.723 18.129 19.000 -0.246 0.000 0.818 225 A HN 0.207 nan 8.150 nan 0.000 0.443 226 I N -1.309 119.131 120.570 -0.217 0.000 2.163 226 I HA -0.302 3.868 4.170 0.000 0.000 0.243 226 I C 2.668 178.657 176.117 -0.213 0.000 1.085 226 I CA 2.002 63.195 61.300 -0.179 0.000 1.347 226 I CB -0.253 37.569 38.000 -0.297 0.000 1.044 226 I HN 0.446 nan 8.210 nan 0.000 0.408 227 M N 0.412 119.868 119.600 -0.240 0.000 2.080 227 M HA -0.238 4.242 4.480 0.000 0.000 0.260 227 M C 2.216 178.390 176.300 -0.211 0.000 1.068 227 M CA 1.883 57.057 55.300 -0.210 0.000 1.109 227 M CB -0.446 32.046 32.600 -0.180 0.000 1.342 227 M HN 0.094 nan 8.290 nan 0.000 0.405 228 Q N -0.237 119.380 119.800 -0.305 0.000 2.123 228 Q HA 0.058 4.398 4.340 0.000 0.000 0.199 228 Q C 2.253 178.161 176.000 -0.154 0.000 0.966 228 Q CA 1.718 57.377 55.803 -0.239 0.000 0.845 228 Q CB -0.910 27.661 28.738 -0.280 0.000 0.907 228 Q HN 0.691 nan 8.270 nan 0.000 0.439 229 A N 0.442 123.134 122.820 -0.213 0.000 2.019 229 A HA -0.140 4.180 4.320 0.000 0.000 0.219 229 A C 2.235 179.884 177.584 0.107 0.000 1.164 229 A CA 1.869 53.868 52.037 -0.064 0.000 0.644 229 A CB -0.532 18.524 19.000 0.092 0.000 0.805 229 A HN 0.361 nan 8.150 nan 0.000 0.449 230 T N -0.560 113.994 114.554 -0.000 0.000 2.809 230 T HA -0.038 4.312 4.350 0.000 0.000 0.260 230 T C 1.844 176.506 174.700 -0.064 0.000 1.039 230 T CA 1.745 63.807 62.100 -0.063 0.000 1.141 230 T CB -0.400 68.376 68.868 -0.153 0.000 0.869 230 T HN 0.631 nan 8.240 nan 0.000 0.437 231 V N -1.400 118.472 119.914 -0.070 0.000 3.506 231 V HA 0.266 4.386 4.120 0.000 0.000 0.263 231 V C 1.005 177.069 176.094 -0.049 0.000 1.203 231 V CA -0.267 61.989 62.300 -0.074 0.000 1.133 231 V CB -1.063 30.705 31.823 -0.091 0.000 0.802 231 V HN 0.351 nan 8.190 nan 0.000 0.459 232 c N 2.616 121.197 118.600 -0.031 0.000 2.484 232 c HA 0.354 4.924 4.570 0.000 0.000 0.494 232 c C 1.552 175.615 174.090 -0.045 0.000 1.052 232 c CA -0.531 55.768 56.329 -0.050 0.000 1.307 232 c CB -1.724 40.748 42.510 -0.064 0.000 1.464 232 c HN 0.551 nan 8.230 nan 0.000 0.564 233 D N 1.286 121.687 120.400 0.001 0.000 2.137 233 D HA -0.202 4.438 4.640 0.000 0.000 0.189 233 D C 1.990 178.274 176.300 -0.027 0.000 0.998 233 D CA 1.578 55.609 54.000 0.052 0.000 0.839 233 D CB -0.117 40.698 40.800 0.025 0.000 0.962 233 D HN 0.712 nan 8.370 nan 0.000 0.446 234 E N 0.175 120.346 120.200 -0.048 0.000 2.077 234 E HA -0.199 4.151 4.350 0.000 0.000 0.193 234 E C 1.830 178.358 176.600 -0.119 0.000 0.989 234 E CA 1.007 57.370 56.400 -0.062 0.000 0.800 234 E CB 0.234 29.910 29.700 -0.040 0.000 0.746 234 E HN 0.005 nan 8.360 nan 0.000 0.452 235 K N 0.464 120.762 120.400 -0.170 0.000 2.026 235 K HA -0.135 4.185 4.320 0.000 0.000 0.208 235 K C 2.151 178.454 176.600 -0.496 0.000 1.048 235 K CA 0.908 57.020 56.287 -0.291 0.000 0.929 235 K CB -0.314 31.991 32.500 -0.326 0.000 0.713 235 K HN 0.282 nan 8.250 nan 0.000 0.439 236 I N -0.409 119.824 120.570 -0.561 0.000 2.286 236 I HA -0.077 4.093 4.170 0.000 0.000 0.245 236 I C 1.448 177.238 176.117 -0.545 0.000 1.104 236 I CA 1.530 62.388 61.300 -0.736 0.000 1.397 236 I CB -1.200 36.160 38.000 -1.068 0.000 1.072 236 I HN 0.448 nan 8.210 nan 0.000 0.417 237 G N -0.106 108.442 108.800 -0.421 0.000 2.135 237 G HA2 -0.220 3.740 3.960 0.000 0.000 0.183 237 G HA3 -0.220 3.740 3.960 0.000 0.000 0.183 237 G C -0.285 174.525 174.900 -0.150 0.000 1.004 237 G CA -0.425 44.544 45.100 -0.218 0.000 0.677 237 G HN 0.267 nan 8.290 nan 0.000 0.512 238 W N 0.816 122.055 121.300 -0.101 0.000 2.314 238 W HA 0.483 5.143 4.660 -0.000 0.000 0.339 238 W C 1.249 177.762 176.519 -0.009 0.000 1.293 238 W CA -0.379 56.898 57.345 -0.114 0.000 1.288 238 W CB 0.396 29.610 29.460 -0.409 0.000 1.186 238 W HN 0.150 nan 8.180 nan 0.000 0.566 239 R N 2.481 123.215 120.500 0.391 0.000 2.457 239 R HA 0.127 4.467 4.340 0.000 0.000 0.284 239 R C 1.056 177.558 176.300 0.335 0.000 1.024 239 R CA -0.881 55.387 56.100 0.279 0.000 1.025 239 R CB 0.709 31.131 30.300 0.205 0.000 1.063 239 R HN 0.478 nan 8.270 nan 0.000 0.493 240 N N 1.161 119.971 118.700 0.184 0.000 2.069 240 N HA -0.136 4.604 4.740 0.000 0.000 0.191 240 N C -0.137 175.438 175.510 0.108 0.000 1.031 240 N CA 1.428 54.562 53.050 0.140 0.000 0.852 240 N CB 0.103 38.636 38.487 0.076 0.000 1.018 240 N HN 0.511 nan 8.380 nan 0.000 0.423 241 D N 0.100 120.539 120.400 0.066 0.000 3.123 241 D HA 0.426 5.066 4.640 0.000 0.000 0.305 241 D C -0.644 175.636 176.300 -0.033 0.000 1.373 241 D CA -0.013 53.988 54.000 0.001 0.000 0.889 241 D CB 0.230 41.033 40.800 0.006 0.000 1.070 241 D HN 0.142 nan 8.370 nan 0.000 0.494 242 A N -0.154 122.611 122.820 -0.092 0.000 2.454 242 A HA 0.591 4.911 4.320 0.000 0.000 0.302 242 A C -0.073 177.223 177.584 -0.480 0.000 1.079 242 A CA -0.675 51.272 52.037 -0.149 0.000 0.731 242 A CB 1.800 20.822 19.000 0.037 0.000 1.299 242 A HN 0.040 nan 8.150 nan 0.000 0.413 243 S N 0.162 115.695 115.700 -0.279 0.000 2.505 243 S HA 0.353 4.823 4.470 0.000 0.000 0.276 243 S C -0.493 173.989 174.600 -0.196 0.000 1.274 243 S CA -0.054 57.978 58.200 -0.279 0.000 1.053 243 S CB -0.359 62.778 63.200 -0.105 0.000 0.919 243 S HN 0.627 nan 8.310 nan 0.000 0.490 244 H N 4.052 123.126 119.070 0.007 0.000 2.551 244 H HA 0.508 5.064 4.556 0.000 0.000 0.321 244 H C -0.612 174.714 175.328 -0.004 0.000 1.028 244 H CA -0.700 55.349 56.048 0.001 0.000 1.215 244 H CB 0.911 30.425 29.762 -0.413 0.000 1.414 244 H HN 0.392 nan 8.280 nan 0.000 0.480 245 L N 4.024 125.435 121.223 0.313 0.000 2.356 245 L HA 0.309 4.649 4.340 0.000 0.000 0.277 245 L C -1.089 176.009 176.870 0.379 0.000 0.996 245 L CA -0.959 54.021 54.840 0.234 0.000 0.822 245 L CB 1.862 44.036 42.059 0.192 0.000 1.256 245 L HN 0.368 nan 8.230 nan 0.000 0.413 246 L N 5.011 126.398 121.223 0.273 0.000 2.295 246 L HA 0.495 4.835 4.340 0.000 0.000 0.281 246 L C -0.657 176.369 176.870 0.259 0.000 1.018 246 L CA -0.283 54.777 54.840 0.366 0.000 0.841 246 L CB 1.575 43.800 42.059 0.276 0.000 1.218 246 L HN 0.255 nan 8.230 nan 0.000 0.424 247 V N 6.119 126.232 119.914 0.332 0.000 2.364 247 V HA 0.331 4.451 4.120 0.000 0.000 0.272 247 V C -0.357 175.934 176.094 0.328 0.000 1.036 247 V CA -0.389 62.102 62.300 0.317 0.000 0.880 247 V CB 0.847 32.904 31.823 0.390 0.000 0.991 247 V HN 0.622 nan 8.190 nan 0.000 0.460 248 F N 5.157 125.180 119.950 0.122 0.000 2.444 248 F HA 0.702 5.229 4.527 -0.000 0.000 0.342 248 F C 0.406 176.288 175.800 0.135 0.000 1.121 248 F CA -0.218 57.861 58.000 0.131 0.000 0.997 248 F CB 1.713 40.795 39.000 0.136 0.000 1.130 248 F HN 0.564 nan 8.300 nan 0.000 0.454 249 T N 2.313 116.575 114.554 -0.488 0.000 2.856 249 T HA 0.754 5.104 4.350 0.000 0.000 0.283 249 T C -0.516 173.886 174.700 -0.496 0.000 1.008 249 T CA -0.573 61.312 62.100 -0.358 0.000 0.997 249 T CB 1.763 70.463 68.868 -0.281 0.000 0.992 249 T HN 0.854 nan 8.240 nan 0.000 0.454 250 T N 0.572 114.975 114.554 -0.251 0.000 2.770 250 T HA 0.375 4.725 4.350 0.000 0.000 0.323 250 T C -1.364 173.318 174.700 -0.030 0.000 1.683 250 T CA -0.300 61.725 62.100 -0.126 0.000 1.024 250 T CB 1.544 70.424 68.868 0.020 0.000 1.557 250 T HN 0.834 nan 8.240 nan 0.000 0.494 251 D N 0.644 121.051 120.400 0.011 0.000 2.479 251 D HA 0.551 5.191 4.640 0.000 0.000 0.218 251 D C 0.217 176.567 176.300 0.083 0.000 1.177 251 D CA -0.054 53.971 54.000 0.042 0.000 0.830 251 D CB 0.448 41.256 40.800 0.013 0.000 1.014 251 D HN 0.697 nan 8.370 nan 0.000 0.503 252 A N -0.037 122.862 122.820 0.132 0.000 2.583 252 A HA 0.571 4.891 4.320 0.000 0.000 0.289 252 A C -0.447 177.249 177.584 0.187 0.000 1.151 252 A CA -0.931 51.180 52.037 0.122 0.000 0.695 252 A CB 1.292 20.331 19.000 0.065 0.000 1.290 252 A HN -0.030 nan 8.150 nan 0.000 0.419 253 K N -0.206 120.225 120.400 0.052 0.000 2.339 253 K HA 0.345 4.665 4.320 0.000 0.000 0.260 253 K C 0.010 176.561 176.600 -0.081 0.000 0.989 253 K CA 0.686 56.946 56.287 -0.046 0.000 0.888 253 K CB 0.250 32.672 32.500 -0.131 0.000 0.983 253 K HN 0.616 nan 8.250 nan 0.000 0.515 254 T N 0.432 114.839 114.554 -0.246 0.000 2.893 254 T HA 0.177 4.527 4.350 0.000 0.000 0.291 254 T C -0.881 173.432 174.700 -0.645 0.000 1.028 254 T CA -0.846 60.973 62.100 -0.468 0.000 0.995 254 T CB 0.564 68.954 68.868 -0.797 0.000 1.051 254 T HN 0.378 nan 8.240 nan 0.000 0.470 255 H N 3.185 121.865 119.070 -0.650 0.000 2.771 255 H HA 0.448 5.004 4.556 0.000 0.000 0.364 255 H C 0.473 175.319 175.328 -0.803 0.000 1.133 255 H CA 0.242 55.775 56.048 -0.858 0.000 1.423 255 H CB 0.523 29.312 29.762 -1.622 0.000 1.425 255 H HN 0.648 nan 8.280 nan 0.000 0.606 256 I N -1.365 118.998 120.570 -0.344 0.000 3.042 256 I HA 0.636 4.806 4.170 0.000 0.000 0.310 256 I C -0.036 176.135 176.117 0.090 0.000 1.117 256 I CA -1.590 59.653 61.300 -0.095 0.000 1.003 256 I CB 1.712 39.663 38.000 -0.083 0.000 1.228 256 I HN 0.487 nan 8.210 nan 0.000 0.443 257 A N 3.575 126.493 122.820 0.162 0.000 2.587 257 A HA 0.321 4.641 4.320 0.000 0.000 0.235 257 A C 0.918 178.585 177.584 0.138 0.000 1.044 257 A CA 0.677 52.819 52.037 0.175 0.000 0.754 257 A CB -0.424 18.648 19.000 0.121 0.000 0.968 257 A HN 1.160 nan 8.150 nan 0.000 0.509 258 L N -0.205 121.106 121.223 0.148 0.000 4.610 258 L HA -0.285 4.055 4.340 0.000 0.000 0.397 258 L C 1.041 177.993 176.870 0.137 0.000 0.806 258 L CA 1.062 55.971 54.840 0.116 0.000 2.169 258 L CB -1.572 40.535 42.059 0.081 0.000 1.402 258 L HN 0.734 nan 8.230 nan 0.000 0.603 259 D N 0.679 121.189 120.400 0.184 0.000 2.144 259 D HA -0.067 4.573 4.640 0.000 0.000 0.199 259 D C 1.974 178.426 176.300 0.253 0.000 0.984 259 D CA 1.608 55.725 54.000 0.195 0.000 0.834 259 D CB -0.223 40.656 40.800 0.131 0.000 0.955 259 D HN 0.562 nan 8.370 nan 0.000 0.465 260 G N 0.335 109.319 108.800 0.307 0.000 2.501 260 G HA2 -0.309 3.651 3.960 0.000 0.000 0.220 260 G HA3 -0.309 3.651 3.960 0.000 0.000 0.220 260 G C 1.593 176.563 174.900 0.116 0.000 1.114 260 G CA 0.391 45.616 45.100 0.209 0.000 0.757 260 G HN 0.232 nan 8.290 nan 0.000 0.559 261 R N -0.561 119.994 120.500 0.093 0.000 2.159 261 R HA 0.003 4.343 4.340 0.000 0.000 0.237 261 R C 2.043 178.356 176.300 0.020 0.000 1.131 261 R CA 0.676 56.803 56.100 0.045 0.000 0.982 261 R CB -0.244 30.082 30.300 0.044 0.000 0.868 261 R HN 0.349 nan 8.270 nan 0.000 0.453 262 L N -0.228 121.015 121.223 0.034 0.000 2.362 262 L HA -0.053 4.287 4.340 0.000 0.000 0.219 262 L C 1.732 178.509 176.870 -0.155 0.000 1.134 262 L CA 1.397 56.213 54.840 -0.040 0.000 0.807 262 L CB -0.045 42.005 42.059 -0.015 0.000 0.927 262 L HN 0.185 nan 8.230 nan 0.000 0.447 263 A N -1.351 121.391 122.820 -0.130 0.000 2.465 263 A HA 0.531 4.851 4.320 0.000 0.000 0.255 263 A C 1.619 179.156 177.584 -0.078 0.000 1.274 263 A CA 0.388 52.320 52.037 -0.175 0.000 0.920 263 A CB -0.370 18.547 19.000 -0.137 0.000 1.033 263 A HN 0.381 nan 8.150 nan 0.000 0.516 264 G N -0.288 108.483 108.800 -0.050 0.000 2.155 264 G HA2 -0.241 3.719 3.960 0.000 0.000 0.257 264 G HA3 -0.241 3.719 3.960 0.000 0.000 0.257 264 G C 0.062 174.949 174.900 -0.022 0.000 0.983 264 G CA 0.501 45.582 45.100 -0.032 0.000 0.676 264 G HN 0.527 nan 8.290 nan 0.000 0.528 265 I N 1.146 121.708 120.570 -0.014 0.000 2.304 265 I HA 0.373 4.543 4.170 0.000 0.000 0.291 265 I C 1.506 177.621 176.117 -0.004 0.000 1.018 265 I CA -0.367 60.922 61.300 -0.019 0.000 1.260 265 I CB 1.500 39.478 38.000 -0.037 0.000 1.390 265 I HN 0.100 nan 8.210 nan 0.000 0.475 266 V N 1.631 121.541 119.914 -0.006 0.000 3.612 266 V HA 0.158 4.278 4.120 0.000 0.000 0.268 266 V C 0.821 176.918 176.094 0.005 0.000 1.365 266 V CA -0.158 62.146 62.300 0.006 0.000 1.044 266 V CB -0.245 31.581 31.823 0.006 0.000 0.820 266 V HN 0.786 nan 8.190 nan 0.000 0.444 267 Q N 2.584 122.380 119.800 -0.007 0.000 2.255 267 Q HA 0.201 4.541 4.340 0.000 0.000 0.280 267 Q C -2.330 173.676 176.000 0.009 0.000 1.068 267 Q CA -1.390 54.411 55.803 -0.004 0.000 0.911 267 Q CB 0.816 29.543 28.738 -0.019 0.000 1.157 267 Q HN 0.359 nan 8.270 nan 0.000 0.380 268 P HA -0.058 nan 4.420 nan 0.000 0.269 268 P C -0.637 176.689 177.300 0.044 0.000 1.215 268 P CA -0.206 62.914 63.100 0.034 0.000 0.780 268 P CB 0.473 32.192 31.700 0.033 0.000 0.898 269 N N 2.363 121.099 118.700 0.060 0.000 2.454 269 N HA -0.070 4.670 4.740 0.000 0.000 0.260 269 N C 0.506 176.063 175.510 0.079 0.000 1.218 269 N CA 0.290 53.390 53.050 0.083 0.000 0.904 269 N CB 0.486 39.025 38.487 0.086 0.000 1.065 269 N HN 0.407 nan 8.380 nan 0.000 0.462 270 D N 2.075 122.544 120.400 0.114 0.000 2.360 270 D HA 0.079 4.719 4.640 0.000 0.000 0.210 270 D C 1.081 177.424 176.300 0.071 0.000 1.047 270 D CA 0.489 54.550 54.000 0.102 0.000 0.854 270 D CB -0.363 40.527 40.800 0.150 0.000 0.936 270 D HN 0.707 nan 8.370 nan 0.000 0.514 271 G N 0.419 109.258 108.800 0.064 0.000 2.179 271 G HA2 -0.319 3.641 3.960 0.000 0.000 0.257 271 G HA3 -0.319 3.641 3.960 0.000 0.000 0.257 271 G C -0.064 174.822 174.900 -0.023 0.000 1.010 271 G CA 0.471 45.576 45.100 0.008 0.000 0.736 271 G HN 0.498 nan 8.290 nan 0.000 0.513 272 Q N -1.458 118.327 119.800 -0.025 0.000 2.241 272 Q HA 0.578 4.918 4.340 0.000 0.000 0.262 272 Q C 0.368 176.174 176.000 -0.323 0.000 1.014 272 Q CA -0.704 54.994 55.803 -0.174 0.000 0.885 272 Q CB 2.063 30.674 28.738 -0.211 0.000 1.311 272 Q HN 0.394 nan 8.270 nan 0.000 0.461 273 c N 1.859 120.261 118.600 -0.329 0.000 2.585 273 c HA 0.204 4.774 4.570 0.000 0.000 0.406 273 c C -0.080 173.778 174.090 -0.386 0.000 1.312 273 c CA 0.001 56.188 56.329 -0.235 0.000 1.924 273 c CB -0.775 41.665 42.510 -0.117 0.000 2.578 273 c HN 0.759 nan 8.230 nan 0.000 0.580 274 H N 4.159 123.348 119.070 0.198 0.000 2.767 274 H HA 0.192 4.748 4.556 0.000 0.000 0.235 274 H C 0.796 176.289 175.328 0.274 0.000 1.256 274 H CA -0.025 56.162 56.048 0.233 0.000 0.957 274 H CB 0.131 30.070 29.762 0.294 0.000 2.117 274 H HN 0.534 nan 8.280 nan 0.000 0.602 275 V N -0.365 119.715 119.914 0.277 0.000 2.523 275 V HA 0.319 4.439 4.120 0.000 0.000 0.226 275 V C 1.659 177.844 176.094 0.152 0.000 1.107 275 V CA 1.096 63.536 62.300 0.234 0.000 1.121 275 V CB -0.446 31.478 31.823 0.170 0.000 0.753 275 V HN 0.740 nan 8.190 nan 0.000 0.497 276 G N 0.434 109.288 108.800 0.091 0.000 2.593 276 G HA2 -0.306 3.654 3.960 0.000 0.000 0.237 276 G HA3 -0.306 3.654 3.960 0.000 0.000 0.237 276 G C 0.975 175.912 174.900 0.062 0.000 1.312 276 G CA 1.040 46.180 45.100 0.066 0.000 0.896 276 G HN 1.088 nan 8.290 nan 0.000 0.574 277 S N 0.273 116.004 115.700 0.052 0.000 2.369 277 S HA -0.249 4.221 4.470 0.000 0.000 0.225 277 S C 1.793 176.424 174.600 0.051 0.000 1.043 277 S CA 2.617 60.842 58.200 0.042 0.000 1.074 277 S CB -0.536 62.683 63.200 0.031 0.000 0.962 277 S HN 1.607 nan 8.310 nan 0.000 0.433 278 D N 1.237 121.678 120.400 0.069 0.000 2.363 278 D HA -0.012 4.628 4.640 0.000 0.000 0.226 278 D C 0.137 176.531 176.300 0.157 0.000 1.020 278 D CA 0.369 54.427 54.000 0.098 0.000 0.892 278 D CB -0.916 39.932 40.800 0.080 0.000 0.900 278 D HN 0.352 nan 8.370 nan 0.000 0.531 279 N N -0.359 118.404 118.700 0.104 0.000 2.800 279 N HA -0.192 4.548 4.740 0.000 0.000 0.250 279 N C -1.009 174.452 175.510 -0.082 0.000 1.078 279 N CA 0.704 53.771 53.050 0.028 0.000 0.804 279 N CB -1.946 36.518 38.487 -0.038 0.000 1.135 279 N HN 0.536 nan 8.380 nan 0.000 0.565 280 H N -0.965 118.106 119.070 0.002 0.000 2.533 280 H HA 0.355 4.911 4.556 0.000 0.000 0.343 280 H C -0.196 175.248 175.328 0.193 0.000 1.160 280 H CA -0.531 55.547 56.048 0.050 0.000 1.218 280 H CB 0.564 30.362 29.762 0.060 0.000 1.566 280 H HN 0.068 nan 8.280 nan 0.000 0.522 281 Y N 2.196 122.655 120.300 0.266 0.000 2.674 281 Y HA 0.023 4.573 4.550 0.000 0.000 0.354 281 Y C 1.164 177.202 175.900 0.229 0.000 1.089 281 Y CA -0.610 57.671 58.100 0.303 0.000 1.444 281 Y CB 0.065 38.765 38.460 0.400 0.000 1.187 281 Y HN 0.704 nan 8.280 nan 0.000 0.523 282 S N 3.432 119.176 115.700 0.072 0.000 2.453 282 S HA -0.043 4.427 4.470 0.000 0.000 0.231 282 S C 1.630 176.043 174.600 -0.311 0.000 1.005 282 S CA 0.517 58.674 58.200 -0.072 0.000 0.949 282 S CB -0.220 62.992 63.200 0.020 0.000 0.774 282 S HN 0.703 nan 8.310 nan 0.000 0.510 283 A N 1.004 123.423 122.820 -0.668 0.000 2.337 283 A HA 0.474 4.794 4.320 0.000 0.000 0.227 283 A C 1.929 179.028 177.584 -0.808 0.000 1.259 283 A CA 0.509 52.131 52.037 -0.691 0.000 0.870 283 A CB -0.738 17.881 19.000 -0.636 0.000 0.927 283 A HN 0.470 nan 8.150 nan 0.000 0.497 284 S N 0.518 115.671 115.700 -0.912 0.000 2.387 284 S HA -0.176 4.294 4.470 0.000 0.000 0.230 284 S C 2.013 176.503 174.600 -0.183 0.000 1.035 284 S CA 2.502 60.455 58.200 -0.411 0.000 1.014 284 S CB -0.305 62.863 63.200 -0.054 0.000 0.836 284 S HN 0.812 nan 8.310 nan 0.000 0.466 285 T N -2.073 112.385 114.554 -0.160 0.000 3.086 285 T HA 0.169 4.519 4.350 0.000 0.000 0.250 285 T C 1.234 175.873 174.700 -0.102 0.000 1.074 285 T CA 0.843 62.891 62.100 -0.087 0.000 0.988 285 T CB 0.166 69.006 68.868 -0.047 0.000 0.988 285 T HN 0.488 nan 8.240 nan 0.000 0.530 286 T N -1.664 112.801 114.554 -0.148 0.000 3.004 286 T HA 0.487 4.838 4.350 0.000 0.000 0.266 286 T C 0.028 174.657 174.700 -0.117 0.000 0.986 286 T CA -0.592 61.434 62.100 -0.124 0.000 0.902 286 T CB 0.003 68.792 68.868 -0.132 0.000 1.118 286 T HN 0.383 nan 8.240 nan 0.000 0.522 287 M N 1.975 121.495 119.600 -0.133 0.000 2.457 287 M HA 0.526 5.006 4.480 0.000 0.000 0.300 287 M C -1.668 174.576 176.300 -0.093 0.000 1.141 287 M CA -0.688 54.563 55.300 -0.082 0.000 0.901 287 M CB 2.203 34.773 32.600 -0.050 0.000 1.687 287 M HN -0.105 nan 8.290 nan 0.000 0.449 288 D N 1.953 122.317 120.400 -0.059 0.000 2.360 288 D HA 0.139 4.779 4.640 0.000 0.000 0.242 288 D C -1.066 175.195 176.300 -0.064 0.000 1.184 288 D CA 0.476 54.425 54.000 -0.085 0.000 0.930 288 D CB 0.542 41.355 40.800 0.021 0.000 1.161 288 D HN 0.402 nan 8.370 nan 0.000 0.447 289 Y N 0.961 121.307 120.300 0.077 0.000 2.550 289 Y HA 0.148 4.698 4.550 0.000 0.000 0.343 289 Y C -1.303 174.648 175.900 0.085 0.000 1.245 289 Y CA -1.088 57.066 58.100 0.090 0.000 1.462 289 Y CB -0.274 38.230 38.460 0.074 0.000 1.340 289 Y HN 0.235 nan 8.280 nan 0.000 0.604 290 P HA 0.084 nan 4.420 nan 0.000 0.278 290 P C -0.685 176.685 177.300 0.118 0.000 1.238 290 P CA -0.517 62.656 63.100 0.122 0.000 0.794 290 P CB 1.222 32.947 31.700 0.042 0.000 0.955 291 S N 2.117 117.854 115.700 0.063 0.000 2.614 291 S HA 0.178 4.648 4.470 0.000 0.000 0.265 291 S C 1.630 176.218 174.600 -0.021 0.000 1.303 291 S CA -0.655 57.570 58.200 0.042 0.000 1.000 291 S CB 0.001 63.221 63.200 0.033 0.000 0.935 291 S HN 0.356 nan 8.310 nan 0.000 0.551 292 L N 1.347 122.554 121.223 -0.026 0.000 2.083 292 L HA -0.008 4.332 4.340 0.000 0.000 0.209 292 L C 2.852 179.680 176.870 -0.071 0.000 1.083 292 L CA 1.497 56.289 54.840 -0.081 0.000 0.752 292 L CB -1.387 40.656 42.059 -0.027 0.000 0.899 292 L HN 0.980 nan 8.230 nan 0.000 0.433 293 G N 0.112 108.892 108.800 -0.034 0.000 2.422 293 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 293 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 293 G C 1.580 176.452 174.900 -0.046 0.000 1.146 293 G CA 0.606 45.687 45.100 -0.031 0.000 0.769 293 G HN 0.206 nan 8.290 nan 0.000 0.547 294 L N 0.109 121.304 121.223 -0.047 0.000 2.072 294 L HA 0.258 4.598 4.340 0.000 0.000 0.205 294 L C 2.851 179.667 176.870 -0.089 0.000 1.079 294 L CA 1.349 56.157 54.840 -0.052 0.000 0.752 294 L CB -0.354 41.687 42.059 -0.030 0.000 0.906 294 L HN 0.211 nan 8.230 nan 0.000 0.436 295 M N -1.240 118.283 119.600 -0.128 0.000 2.080 295 M HA -0.240 4.240 4.480 0.000 0.000 0.260 295 M C 2.053 178.254 176.300 -0.165 0.000 1.068 295 M CA 2.478 57.663 55.300 -0.192 0.000 1.109 295 M CB -0.730 31.682 32.600 -0.313 0.000 1.342 295 M HN 0.238 nan 8.290 nan 0.000 0.405 296 T N -0.199 114.276 114.554 -0.133 0.000 2.665 296 T HA -0.234 4.116 4.350 0.000 0.000 0.268 296 T C 1.651 176.294 174.700 -0.096 0.000 1.035 296 T CA 1.800 63.838 62.100 -0.105 0.000 1.151 296 T CB -0.377 68.449 68.868 -0.070 0.000 0.862 296 T HN 0.506 nan 8.240 nan 0.000 0.438 297 E N 0.474 120.624 120.200 -0.083 0.000 2.051 297 E HA -0.198 4.152 4.350 0.000 0.000 0.192 297 E C 2.054 178.600 176.600 -0.089 0.000 0.991 297 E CA 0.973 57.329 56.400 -0.073 0.000 0.799 297 E CB 0.101 29.766 29.700 -0.057 0.000 0.748 297 E HN 0.171 nan 8.360 nan 0.000 0.449 298 K N 0.571 120.908 120.400 -0.105 0.000 2.062 298 K HA -0.050 4.270 4.320 0.000 0.000 0.205 298 K C 2.318 178.827 176.600 -0.152 0.000 1.051 298 K CA 0.582 56.796 56.287 -0.121 0.000 0.941 298 K CB -0.597 31.830 32.500 -0.122 0.000 0.719 298 K HN 0.250 nan 8.250 nan 0.000 0.440 299 L N 0.895 122.020 121.223 -0.165 0.000 2.042 299 L HA -0.206 4.134 4.340 0.000 0.000 0.210 299 L C 2.630 179.402 176.870 -0.164 0.000 1.076 299 L CA 1.438 56.165 54.840 -0.188 0.000 0.749 299 L CB -0.501 41.446 42.059 -0.186 0.000 0.893 299 L HN 0.179 nan 8.230 nan 0.000 0.432 300 S N -0.926 114.698 115.700 -0.127 0.000 2.371 300 S HA -0.230 4.240 4.470 0.000 0.000 0.224 300 S C 1.984 176.525 174.600 -0.100 0.000 1.029 300 S CA 1.234 59.372 58.200 -0.102 0.000 0.978 300 S CB -0.079 63.073 63.200 -0.080 0.000 0.833 300 S HN 0.443 nan 8.310 nan 0.000 0.466 301 Q N -0.137 119.602 119.800 -0.101 0.000 2.124 301 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 301 Q C 1.145 177.078 176.000 -0.112 0.000 0.977 301 Q CA 1.056 56.804 55.803 -0.092 0.000 0.850 301 Q CB 0.040 28.728 28.738 -0.084 0.000 0.901 301 Q HN 0.287 nan 8.270 nan 0.000 0.429 302 K N 0.367 120.671 120.400 -0.160 0.000 2.374 302 K HA 0.038 4.358 4.320 0.000 0.000 0.196 302 K C 0.084 176.541 176.600 -0.239 0.000 1.023 302 K CA 0.059 56.211 56.287 -0.225 0.000 1.103 302 K CB 0.126 32.435 32.500 -0.318 0.000 0.848 302 K HN 0.206 nan 8.250 nan 0.000 0.528 303 N N 1.096 119.699 118.700 -0.162 0.000 2.708 303 N HA -0.183 4.557 4.740 0.000 0.000 0.255 303 N C -1.339 174.106 175.510 -0.109 0.000 1.046 303 N CA 0.331 53.323 53.050 -0.097 0.000 0.715 303 N CB -1.426 37.048 38.487 -0.021 0.000 0.895 303 N HN 0.226 nan 8.380 nan 0.000 0.545 304 I N 0.521 120.954 120.570 -0.230 0.000 2.474 304 I HA 0.317 4.487 4.170 0.000 0.000 0.294 304 I C -0.133 175.872 176.117 -0.186 0.000 1.005 304 I CA -0.854 60.266 61.300 -0.301 0.000 1.113 304 I CB 1.599 39.285 38.000 -0.524 0.000 1.289 304 I HN 0.106 nan 8.210 nan 0.000 0.436 305 N N 6.266 124.890 118.700 -0.126 0.000 2.437 305 N HA 0.305 5.045 4.740 0.000 0.000 0.259 305 N C -0.972 174.485 175.510 -0.088 0.000 0.983 305 N CA -0.582 52.414 53.050 -0.090 0.000 0.937 305 N CB 2.214 40.674 38.487 -0.045 0.000 1.122 305 N HN 0.300 nan 8.380 nan 0.000 0.499 306 L N 3.976 125.108 121.223 -0.153 0.000 2.290 306 L HA 0.494 4.834 4.340 0.000 0.000 0.284 306 L C -0.534 176.187 176.870 -0.248 0.000 1.078 306 L CA -0.165 54.532 54.840 -0.238 0.000 0.815 306 L CB 0.390 42.197 42.059 -0.420 0.000 1.162 306 L HN 0.413 nan 8.230 nan 0.000 0.435 307 I N 5.686 126.158 120.570 -0.164 0.000 2.389 307 I HA 0.246 4.416 4.170 0.000 0.000 0.288 307 I C -0.937 175.154 176.117 -0.044 0.000 0.999 307 I CA -0.507 60.751 61.300 -0.069 0.000 1.129 307 I CB 1.101 39.138 38.000 0.063 0.000 1.288 307 I HN 0.408 nan 8.210 nan 0.000 0.444 308 F N 4.998 125.045 119.950 0.161 0.000 2.413 308 F HA 0.390 4.917 4.527 0.000 0.000 0.359 308 F C 0.823 176.706 175.800 0.137 0.000 1.122 308 F CA -0.492 57.616 58.000 0.181 0.000 1.160 308 F CB 0.984 40.069 39.000 0.142 0.000 1.146 308 F HN 0.446 nan 8.300 nan 0.000 0.514 309 A N 4.814 127.815 122.820 0.302 0.000 2.540 309 A HA 0.647 4.967 4.320 0.000 0.000 0.340 309 A C -0.582 177.070 177.584 0.113 0.000 1.424 309 A CA -0.523 51.628 52.037 0.189 0.000 0.940 309 A CB -0.220 18.891 19.000 0.184 0.000 1.149 309 A HN 0.651 nan 8.150 nan 0.000 0.505 310 V N 0.506 120.479 119.914 0.097 0.000 2.864 310 V HA 0.862 4.982 4.120 0.000 0.000 0.314 310 V C 0.249 176.385 176.094 0.071 0.000 1.073 310 V CA -0.236 62.086 62.300 0.036 0.000 0.956 310 V CB 1.124 32.920 31.823 -0.045 0.000 1.023 310 V HN 0.857 nan 8.190 nan 0.000 0.435 311 T N 0.190 114.780 114.554 0.061 0.000 2.856 311 T HA 0.223 4.573 4.350 0.000 0.000 0.306 311 T C 0.991 175.737 174.700 0.077 0.000 1.062 311 T CA 0.627 62.766 62.100 0.064 0.000 1.083 311 T CB 0.899 69.797 68.868 0.050 0.000 0.984 311 T HN 1.172 nan 8.240 nan 0.000 0.542 312 E N 1.850 122.089 120.200 0.064 0.000 2.160 312 E HA -0.295 4.055 4.350 0.000 0.000 0.195 312 E C 1.714 178.348 176.600 0.057 0.000 0.991 312 E CA 1.741 58.177 56.400 0.060 0.000 0.810 312 E CB -0.599 29.129 29.700 0.047 0.000 0.742 312 E HN 0.771 nan 8.360 nan 0.000 0.466 313 N N 1.403 120.134 118.700 0.053 0.000 2.364 313 N HA -0.141 4.599 4.740 0.000 0.000 0.183 313 N C 1.442 176.984 175.510 0.053 0.000 1.022 313 N CA 1.911 54.987 53.050 0.044 0.000 0.883 313 N CB -0.116 38.393 38.487 0.038 0.000 0.965 313 N HN 0.430 nan 8.380 nan 0.000 0.438 314 V N -3.936 116.036 119.914 0.096 0.000 3.380 314 V HA 0.286 4.406 4.120 0.000 0.000 0.307 314 V C 1.904 178.110 176.094 0.188 0.000 1.434 314 V CA -0.382 62.001 62.300 0.138 0.000 1.075 314 V CB -0.065 31.921 31.823 0.271 0.000 0.954 314 V HN -0.087 nan 8.190 nan 0.000 0.444 315 V N 2.159 122.154 119.914 0.136 0.000 2.287 315 V HA -0.302 3.818 4.120 0.000 0.000 0.248 315 V C 2.484 178.629 176.094 0.085 0.000 1.053 315 V CA 3.153 65.536 62.300 0.138 0.000 1.027 315 V CB -0.964 30.918 31.823 0.098 0.000 0.646 315 V HN 0.705 nan 8.190 nan 0.000 0.447 316 N N -0.242 118.471 118.700 0.022 0.000 2.149 316 N HA -0.207 4.533 4.740 0.000 0.000 0.188 316 N C 1.730 177.164 175.510 -0.126 0.000 1.019 316 N CA 1.252 54.281 53.050 -0.035 0.000 0.857 316 N CB -0.222 38.238 38.487 -0.045 0.000 0.997 316 N HN 0.350 nan 8.380 nan 0.000 0.426 317 L N 0.186 121.297 121.223 -0.187 0.000 1.989 317 L HA -0.182 4.158 4.340 0.000 0.000 0.211 317 L C 1.478 177.995 176.870 -0.589 0.000 1.071 317 L CA 1.746 56.314 54.840 -0.454 0.000 0.749 317 L CB -0.680 41.083 42.059 -0.492 0.000 0.890 317 L HN 0.190 nan 8.230 nan 0.000 0.431 318 Y N -1.027 119.150 120.300 -0.205 0.000 2.395 318 Y HA -0.147 4.403 4.550 0.000 0.000 0.293 318 Y C 2.691 178.532 175.900 -0.098 0.000 1.123 318 Y CA 1.210 59.164 58.100 -0.244 0.000 1.227 318 Y CB -0.442 37.810 38.460 -0.346 0.000 1.012 318 Y HN 0.345 nan 8.280 nan 0.000 0.552 319 Q N 0.863 120.712 119.800 0.081 0.000 2.124 319 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 319 Q C 1.532 177.549 176.000 0.028 0.000 0.977 319 Q CA 1.906 57.763 55.803 0.089 0.000 0.850 319 Q CB -0.271 28.505 28.738 0.063 0.000 0.901 319 Q HN 0.298 nan 8.270 nan 0.000 0.429 320 N N -1.049 117.593 118.700 -0.096 0.000 2.171 320 N HA -0.115 4.625 4.740 0.000 0.000 0.184 320 N C 1.244 176.705 175.510 -0.082 0.000 1.021 320 N CA 1.169 54.134 53.050 -0.141 0.000 0.854 320 N CB -0.393 37.930 38.487 -0.272 0.000 0.994 320 N HN 0.322 nan 8.380 nan 0.000 0.426 321 Y N 0.949 121.217 120.300 -0.053 0.000 2.242 321 Y HA -0.026 4.524 4.550 0.000 0.000 0.291 321 Y C 2.717 178.688 175.900 0.119 0.000 1.137 321 Y CA 0.431 58.532 58.100 0.002 0.000 1.181 321 Y CB -0.923 37.503 38.460 -0.057 0.000 0.989 321 Y HN 0.027 nan 8.280 nan 0.000 0.527 322 S N -0.001 115.895 115.700 0.327 0.000 2.370 322 S HA -0.226 4.244 4.470 0.000 0.000 0.226 322 S C 1.823 176.534 174.600 0.186 0.000 1.033 322 S CA 1.639 60.041 58.200 0.336 0.000 1.011 322 S CB -0.229 63.171 63.200 0.333 0.000 0.852 322 S HN 0.582 nan 8.310 nan 0.000 0.457 323 E N 0.125 120.403 120.200 0.130 0.000 2.338 323 E HA -0.004 4.346 4.350 0.000 0.000 0.197 323 E C 1.573 178.219 176.600 0.077 0.000 1.007 323 E CA 0.730 57.179 56.400 0.082 0.000 0.849 323 E CB -0.070 29.661 29.700 0.051 0.000 0.774 323 E HN 0.518 nan 8.360 nan 0.000 0.506 324 L N 0.278 121.564 121.223 0.106 0.000 2.585 324 L HA 0.190 4.530 4.340 0.000 0.000 0.226 324 L C 0.564 177.476 176.870 0.070 0.000 1.113 324 L CA 0.106 54.999 54.840 0.090 0.000 0.876 324 L CB 0.444 42.577 42.059 0.123 0.000 1.072 324 L HN 0.035 nan 8.230 nan 0.000 0.468 325 I N 0.862 121.482 120.570 0.084 0.000 2.621 325 I HA 0.268 4.438 4.170 0.000 0.000 0.276 325 I C -2.381 173.752 176.117 0.027 0.000 1.118 325 I CA -1.822 59.500 61.300 0.036 0.000 1.159 325 I CB 1.008 39.023 38.000 0.025 0.000 1.357 325 I HN -0.225 nan 8.210 nan 0.000 0.513 326 P HA 0.077 nan 4.420 nan 0.000 0.264 326 P C 1.063 178.357 177.300 -0.009 0.000 1.183 326 P CA 0.860 63.965 63.100 0.008 0.000 0.763 326 P CB 0.723 32.423 31.700 -0.001 0.000 0.807 327 G N 1.476 110.275 108.800 -0.001 0.000 2.234 327 G HA2 -0.208 3.752 3.960 0.000 0.000 0.235 327 G HA3 -0.208 3.752 3.960 0.000 0.000 0.235 327 G C 0.319 175.209 174.900 -0.017 0.000 0.997 327 G CA 0.013 45.103 45.100 -0.016 0.000 0.623 327 G HN 0.603 nan 8.290 nan 0.000 0.514 328 T N 2.196 116.746 114.554 -0.006 0.000 2.919 328 T HA 0.534 4.884 4.350 0.000 0.000 0.302 328 T C 0.636 175.372 174.700 0.060 0.000 1.031 328 T CA 0.936 63.028 62.100 -0.013 0.000 1.127 328 T CB 1.412 70.290 68.868 0.017 0.000 0.952 328 T HN 1.017 nan 8.240 nan 0.000 0.540 329 T N -0.912 113.675 114.554 0.056 0.000 2.916 329 T HA 0.720 5.070 4.350 0.000 0.000 0.292 329 T C -0.747 174.068 174.700 0.192 0.000 1.055 329 T CA -0.836 61.331 62.100 0.112 0.000 1.009 329 T CB 1.365 70.278 68.868 0.075 0.000 1.118 329 T HN 0.295 nan 8.240 nan 0.000 0.497 330 V N 1.107 121.150 119.914 0.215 0.000 2.540 330 V HA 0.819 4.939 4.120 0.000 0.000 0.302 330 V C 0.643 176.846 176.094 0.182 0.000 1.035 330 V CA -0.468 61.992 62.300 0.266 0.000 0.873 330 V CB 1.502 33.494 31.823 0.281 0.000 0.992 330 V HN 1.317 nan 8.190 nan 0.000 0.428 331 G N 2.543 111.451 108.800 0.180 0.000 2.537 331 G HA2 0.656 4.616 3.960 0.000 0.000 0.308 331 G HA3 0.656 4.616 3.960 0.000 0.000 0.308 331 G C -1.262 173.716 174.900 0.130 0.000 1.237 331 G CA -0.684 44.497 45.100 0.134 0.000 0.968 331 G HN 0.523 nan 8.290 nan 0.000 0.481 332 V N 1.270 121.245 119.914 0.103 0.000 2.383 332 V HA 0.272 4.392 4.120 0.000 0.000 0.275 332 V C 0.004 176.150 176.094 0.086 0.000 1.036 332 V CA -0.680 61.676 62.300 0.092 0.000 0.889 332 V CB 1.102 32.971 31.823 0.077 0.000 0.985 332 V HN 0.624 nan 8.190 nan 0.000 0.459 333 L N 6.638 127.911 121.223 0.085 0.000 2.361 333 L HA 0.594 4.934 4.340 0.000 0.000 0.278 333 L C 0.405 177.320 176.870 0.075 0.000 1.113 333 L CA 1.138 56.025 54.840 0.078 0.000 0.849 333 L CB 0.594 42.691 42.059 0.064 0.000 1.155 333 L HN 0.961 nan 8.230 nan 0.000 0.452 334 S N 3.820 119.571 115.700 0.085 0.000 2.790 334 S HA 0.400 4.870 4.470 0.000 0.000 0.292 334 S C 0.672 175.358 174.600 0.144 0.000 1.197 334 S CA -0.735 57.522 58.200 0.095 0.000 0.851 334 S CB 0.643 63.890 63.200 0.078 0.000 1.217 334 S HN 0.570 nan 8.310 nan 0.000 0.526 335 M N 1.242 120.942 119.600 0.166 0.000 2.446 335 M HA 0.068 4.548 4.480 0.000 0.000 0.263 335 M C 0.344 176.805 176.300 0.268 0.000 1.066 335 M CA 1.173 56.647 55.300 0.289 0.000 1.087 335 M CB -0.345 32.342 32.600 0.146 0.000 1.406 335 M HN 0.608 nan 8.290 nan 0.000 0.459 336 D N 0.081 120.570 120.400 0.149 0.000 2.256 336 D HA 0.144 4.784 4.640 0.000 0.000 0.240 336 D C 0.466 176.811 176.300 0.075 0.000 1.062 336 D CA -0.020 54.044 54.000 0.107 0.000 0.832 336 D CB 1.452 42.298 40.800 0.077 0.000 1.135 336 D HN 0.101 nan 8.370 nan 0.000 0.484 337 S N 1.725 117.455 115.700 0.050 0.000 2.527 337 S HA -0.079 4.391 4.470 0.000 0.000 0.222 337 S C 1.689 176.302 174.600 0.022 0.000 0.985 337 S CA 0.211 58.423 58.200 0.020 0.000 0.921 337 S CB 0.125 63.314 63.200 -0.019 0.000 0.772 337 S HN 0.361 nan 8.310 nan 0.000 0.529 338 S N 3.128 118.845 115.700 0.029 0.000 2.374 338 S HA -0.180 4.290 4.470 0.000 0.000 0.227 338 S C 1.917 176.537 174.600 0.032 0.000 1.037 338 S CA 1.416 59.631 58.200 0.026 0.000 1.024 338 S CB -0.754 62.463 63.200 0.029 0.000 0.861 338 S HN 0.685 nan 8.310 nan 0.000 0.456 339 N N 1.443 120.169 118.700 0.042 0.000 2.025 339 N HA -0.110 4.630 4.740 0.000 0.000 0.194 339 N C 1.735 177.278 175.510 0.055 0.000 1.044 339 N CA 1.668 54.748 53.050 0.050 0.000 0.851 339 N CB -0.480 38.042 38.487 0.059 0.000 1.036 339 N HN 0.274 nan 8.380 nan 0.000 0.422 340 V N 1.369 121.318 119.914 0.059 0.000 2.358 340 V HA -0.191 3.929 4.120 0.000 0.000 0.246 340 V C 2.536 178.659 176.094 0.048 0.000 1.047 340 V CA 0.983 63.323 62.300 0.066 0.000 1.035 340 V CB -0.489 31.380 31.823 0.077 0.000 0.658 340 V HN 0.194 nan 8.190 nan 0.000 0.452 341 L N -0.327 120.912 121.223 0.026 0.000 2.043 341 L HA -0.210 4.130 4.340 0.000 0.000 0.212 341 L C 2.592 179.475 176.870 0.022 0.000 1.075 341 L CA 1.813 56.659 54.840 0.010 0.000 0.752 341 L CB -0.903 41.152 42.059 -0.008 0.000 0.891 341 L HN 0.292 nan 8.230 nan 0.000 0.432 342 Q N -0.625 119.193 119.800 0.030 0.000 2.135 342 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 342 Q C 2.372 178.401 176.000 0.047 0.000 0.981 342 Q CA 1.537 57.362 55.803 0.036 0.000 0.856 342 Q CB -0.383 28.378 28.738 0.038 0.000 0.902 342 Q HN 0.508 nan 8.270 nan 0.000 0.425 343 L N -0.052 121.203 121.223 0.053 0.000 2.046 343 L HA -0.205 4.135 4.340 0.000 0.000 0.208 343 L C 2.260 179.168 176.870 0.064 0.000 1.077 343 L CA 0.717 55.593 54.840 0.061 0.000 0.747 343 L CB -0.521 41.580 42.059 0.069 0.000 0.896 343 L HN 0.203 nan 8.230 nan 0.000 0.432 344 I N -0.688 119.919 120.570 0.061 0.000 2.202 344 I HA -0.200 3.970 4.170 0.000 0.000 0.242 344 I C 2.610 178.781 176.117 0.090 0.000 1.091 344 I CA 1.242 62.584 61.300 0.070 0.000 1.368 344 I CB -1.057 36.970 38.000 0.045 0.000 1.058 344 I HN 0.056 nan 8.210 nan 0.000 0.410 345 V N 1.415 121.368 119.914 0.064 0.000 2.343 345 V HA -0.272 3.848 4.120 0.000 0.000 0.247 345 V C 2.212 178.381 176.094 0.125 0.000 1.051 345 V CA 1.941 64.290 62.300 0.080 0.000 1.036 345 V CB -0.724 31.121 31.823 0.038 0.000 0.654 345 V HN 0.317 nan 8.190 nan 0.000 0.451 346 D N 0.457 120.910 120.400 0.089 0.000 2.117 346 D HA -0.120 4.520 4.640 0.000 0.000 0.197 346 D C 2.229 178.577 176.300 0.081 0.000 0.987 346 D CA 1.630 55.677 54.000 0.078 0.000 0.829 346 D CB -0.409 40.425 40.800 0.057 0.000 0.961 346 D HN 0.440 nan 8.370 nan 0.000 0.460 347 A N -0.060 122.812 122.820 0.087 0.000 1.902 347 A HA -0.224 4.096 4.320 0.000 0.000 0.217 347 A C 2.190 179.826 177.584 0.088 0.000 1.181 347 A CA 1.231 53.310 52.037 0.070 0.000 0.623 347 A CB -1.057 17.986 19.000 0.071 0.000 0.818 347 A HN 0.341 nan 8.150 nan 0.000 0.443 348 Y N 0.736 121.051 120.300 0.026 0.000 2.242 348 Y HA -0.025 4.525 4.550 0.000 0.000 0.291 348 Y C 2.402 178.340 175.900 0.063 0.000 1.137 348 Y CA 1.290 59.419 58.100 0.048 0.000 1.181 348 Y CB -0.545 37.949 38.460 0.056 0.000 0.989 348 Y HN 0.257 nan 8.280 nan 0.000 0.527 349 G N -0.273 108.620 108.800 0.155 0.000 2.509 349 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 349 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 349 G C 1.531 176.431 174.900 0.000 0.000 1.124 349 G CA 0.561 45.711 45.100 0.083 0.000 0.776 349 G HN 0.367 nan 8.290 nan 0.000 0.547 350 K N -0.324 120.057 120.400 -0.031 0.000 2.393 350 K HA 0.229 4.549 4.320 0.000 0.000 0.193 350 K C 0.373 176.896 176.600 -0.128 0.000 1.026 350 K CA -0.265 55.987 56.287 -0.059 0.000 1.064 350 K CB 0.387 32.862 32.500 -0.043 0.000 0.833 350 K HN 0.303 nan 8.250 nan 0.000 0.521 351 I N 2.757 123.197 120.570 -0.215 0.000 2.556 351 I HA -0.016 4.154 4.170 0.000 0.000 0.284 351 I C 0.403 176.291 176.117 -0.381 0.000 1.114 351 I CA 0.153 61.223 61.300 -0.384 0.000 1.418 351 I CB 0.300 37.919 38.000 -0.634 0.000 1.394 351 I HN -0.046 nan 8.210 nan 0.000 0.552 352 R N 4.305 124.582 120.500 -0.373 0.000 2.807 352 R HA 0.665 5.005 4.340 0.000 0.000 0.276 352 R C -0.748 175.374 176.300 -0.296 0.000 0.979 352 R CA -0.755 55.198 56.100 -0.246 0.000 0.928 352 R CB 2.202 32.431 30.300 -0.119 0.000 1.191 352 R HN 0.774 nan 8.270 nan 0.000 0.471 353 S N -0.118 115.516 115.700 -0.109 0.000 2.667 353 S HA 0.697 5.167 4.470 0.000 0.000 0.292 353 S C -0.777 173.865 174.600 0.070 0.000 1.126 353 S CA -1.003 57.187 58.200 -0.017 0.000 0.881 353 S CB 2.537 65.837 63.200 0.166 0.000 1.132 353 S HN 0.556 nan 8.310 nan 0.000 0.492 354 K N -0.443 120.018 120.400 0.101 0.000 2.340 354 K HA 0.789 5.109 4.320 0.000 0.000 0.244 354 K C -1.657 175.040 176.600 0.161 0.000 0.973 354 K CA -1.073 55.276 56.287 0.104 0.000 0.828 354 K CB 1.959 34.493 32.500 0.057 0.000 1.226 354 K HN 0.382 nan 8.250 nan 0.000 0.437 355 V N 1.750 121.735 119.914 0.118 0.000 2.326 355 V HA 0.248 4.368 4.120 0.000 0.000 0.281 355 V C -0.908 175.203 176.094 0.027 0.000 1.015 355 V CA -0.511 61.821 62.300 0.055 0.000 0.823 355 V CB 0.840 32.711 31.823 0.081 0.000 1.009 355 V HN 0.913 nan 8.190 nan 0.000 0.436 356 E N 5.312 125.480 120.200 -0.054 0.000 2.145 356 E HA 0.489 4.839 4.350 0.000 0.000 0.262 356 E C -0.948 175.517 176.600 -0.224 0.000 0.883 356 E CA -0.640 55.691 56.400 -0.116 0.000 0.748 356 E CB 1.149 30.811 29.700 -0.062 0.000 1.140 356 E HN 0.630 nan 8.360 nan 0.000 0.417 357 L N 4.781 125.764 121.223 -0.399 0.000 2.410 357 L HA 0.220 4.560 4.340 0.000 0.000 0.273 357 L C 0.365 177.037 176.870 -0.330 0.000 1.152 357 L CA 0.157 54.732 54.840 -0.441 0.000 0.855 357 L CB 0.432 42.065 42.059 -0.711 0.000 1.129 357 L HN 0.616 nan 8.230 nan 0.000 0.463 358 E N 2.395 122.481 120.200 -0.189 0.000 2.256 358 E HA 0.644 4.994 4.350 0.000 0.000 0.267 358 E C -1.424 175.164 176.600 -0.020 0.000 0.892 358 E CA -0.997 55.337 56.400 -0.109 0.000 0.775 358 E CB 2.309 31.974 29.700 -0.058 0.000 1.207 358 E HN 0.199 nan 8.360 nan 0.000 0.420 359 V N 2.263 122.194 119.914 0.028 0.000 2.472 359 V HA 0.487 4.607 4.120 0.000 0.000 0.290 359 V C 0.034 176.186 176.094 0.097 0.000 1.037 359 V CA -0.731 61.641 62.300 0.120 0.000 0.908 359 V CB 1.153 33.064 31.823 0.147 0.000 0.985 359 V HN 0.630 nan 8.190 nan 0.000 0.454 360 R N 2.153 122.736 120.500 0.140 0.000 2.750 360 R HA 0.432 4.772 4.340 0.000 0.000 0.281 360 R C -0.706 175.682 176.300 0.146 0.000 0.972 360 R CA -0.779 55.386 56.100 0.109 0.000 0.912 360 R CB 1.516 31.868 30.300 0.085 0.000 1.187 360 R HN 0.836 nan 8.270 nan 0.000 0.464 361 D N 1.225 121.687 120.400 0.103 0.000 2.772 361 D HA -0.191 4.449 4.640 0.000 0.000 0.233 361 D C -0.473 175.909 176.300 0.136 0.000 1.143 361 D CA 0.702 54.768 54.000 0.111 0.000 0.700 361 D CB -0.660 40.211 40.800 0.118 0.000 1.076 361 D HN 0.148 nan 8.370 nan 0.000 0.430 362 L N 1.125 122.389 121.223 0.068 0.000 2.361 362 L HA 0.302 4.642 4.340 0.000 0.000 0.278 362 L C -1.833 175.028 176.870 -0.015 0.000 1.113 362 L CA -0.881 53.934 54.840 -0.042 0.000 0.849 362 L CB 0.369 42.350 42.059 -0.129 0.000 1.155 362 L HN -0.228 nan 8.230 nan 0.000 0.452 363 P HA 0.041 nan 4.420 nan 0.000 0.268 363 P C 0.324 177.617 177.300 -0.013 0.000 1.208 363 P CA -0.169 62.946 63.100 0.025 0.000 0.777 363 P CB 0.613 32.363 31.700 0.084 0.000 0.875 364 E N 2.052 122.245 120.200 -0.012 0.000 2.086 364 E HA -0.293 4.057 4.350 0.000 0.000 0.200 364 E C 1.125 177.703 176.600 -0.037 0.000 1.012 364 E CA 2.111 58.495 56.400 -0.026 0.000 0.812 364 E CB -0.524 29.160 29.700 -0.027 0.000 0.743 364 E HN 0.469 nan 8.360 nan 0.000 0.453 365 E N -0.162 120.012 120.200 -0.044 0.000 2.208 365 E HA 0.095 4.445 4.350 0.000 0.000 0.193 365 E C 0.106 176.689 176.600 -0.028 0.000 0.988 365 E CA 0.409 56.771 56.400 -0.062 0.000 0.828 365 E CB -0.018 29.597 29.700 -0.142 0.000 0.763 365 E HN 0.293 nan 8.360 nan 0.000 0.478 366 L N 1.042 122.258 121.223 -0.012 0.000 2.334 366 L HA 0.339 4.679 4.340 0.000 0.000 0.277 366 L C 0.037 176.856 176.870 -0.084 0.000 1.075 366 L CA -0.739 54.083 54.840 -0.029 0.000 0.804 366 L CB 1.327 43.349 42.059 -0.062 0.000 1.174 366 L HN 0.004 nan 8.230 nan 0.000 0.438 367 S N 3.325 118.975 115.700 -0.083 0.000 2.542 367 S HA 0.795 5.265 4.470 0.000 0.000 0.293 367 S C -0.925 173.593 174.600 -0.135 0.000 1.089 367 S CA -0.909 57.234 58.200 -0.094 0.000 0.961 367 S CB 1.903 65.068 63.200 -0.057 0.000 1.062 367 S HN 0.449 nan 8.310 nan 0.000 0.483 368 L N 2.266 123.395 121.223 -0.158 0.000 2.362 368 L HA 0.763 5.103 4.340 0.000 0.000 0.271 368 L C -0.249 176.437 176.870 -0.306 0.000 1.002 368 L CA -0.708 53.951 54.840 -0.301 0.000 0.818 368 L CB 2.423 44.239 42.059 -0.405 0.000 1.298 368 L HN 0.985 nan 8.230 nan 0.000 0.420 369 S N 0.899 116.332 115.700 -0.444 0.000 2.521 369 S HA 0.784 5.254 4.470 0.000 0.000 0.295 369 S C -1.058 173.257 174.600 -0.475 0.000 1.098 369 S CA -0.672 57.353 58.200 -0.292 0.000 0.999 369 S CB 1.442 64.566 63.200 -0.127 0.000 1.034 369 S HN 0.284 nan 8.310 nan 0.000 0.483 370 F N 1.431 121.362 119.950 -0.033 0.000 2.508 370 F HA 0.583 5.110 4.527 0.000 0.000 0.325 370 F C 0.193 176.012 175.800 0.032 0.000 1.090 370 F CA -0.850 57.148 58.000 -0.005 0.000 0.945 370 F CB 1.800 40.807 39.000 0.011 0.000 1.156 370 F HN 0.490 nan 8.300 nan 0.000 0.463 371 N N 1.449 120.282 118.700 0.222 0.000 2.372 371 N HA 0.649 5.389 4.740 0.000 0.000 0.285 371 N C -1.123 174.496 175.510 0.181 0.000 1.008 371 N CA -0.604 52.536 53.050 0.150 0.000 0.880 371 N CB 2.025 40.545 38.487 0.054 0.000 1.239 371 N HN 0.702 nan 8.380 nan 0.000 0.484 372 A N 1.300 124.186 122.820 0.111 0.000 2.292 372 A HA 0.666 4.986 4.320 0.000 0.000 0.319 372 A C -0.350 177.124 177.584 -0.183 0.000 1.206 372 A CA -0.409 51.575 52.037 -0.088 0.000 0.835 372 A CB 0.428 19.439 19.000 0.018 0.000 1.164 372 A HN 0.472 nan 8.150 nan 0.000 0.505 373 T N 2.618 116.974 114.554 -0.331 0.000 2.893 373 T HA 0.398 4.748 4.350 0.000 0.000 0.324 373 T C 0.042 174.588 174.700 -0.257 0.000 1.082 373 T CA -0.308 61.660 62.100 -0.221 0.000 0.983 373 T CB -0.115 68.657 68.868 -0.161 0.000 1.005 373 T HN 0.728 nan 8.240 nan 0.000 0.475 374 c N 1.890 120.384 118.600 -0.178 0.000 2.370 374 c HA 0.427 4.997 4.570 0.000 0.000 0.371 374 c C 2.445 176.484 174.090 -0.085 0.000 2.631 374 c CA -0.808 55.437 56.329 -0.140 0.000 1.819 374 c CB -0.392 42.061 42.510 -0.094 0.000 2.131 374 c HN 0.850 nan 8.230 nan 0.000 0.400 375 L N 2.137 123.329 121.223 -0.052 0.000 2.191 375 L HA -0.133 4.207 4.340 0.000 0.000 0.212 375 L C 2.187 179.040 176.870 -0.028 0.000 1.103 375 L CA 1.584 56.405 54.840 -0.032 0.000 0.769 375 L CB -0.824 41.227 42.059 -0.014 0.000 0.908 375 L HN 0.779 nan 8.230 nan 0.000 0.438 376 N N -0.508 118.173 118.700 -0.031 0.000 2.573 376 N HA -0.208 4.532 4.740 0.000 0.000 0.187 376 N C 0.292 175.786 175.510 -0.028 0.000 1.107 376 N CA 0.609 53.644 53.050 -0.025 0.000 0.918 376 N CB -0.697 37.777 38.487 -0.022 0.000 0.966 376 N HN 0.238 nan 8.380 nan 0.000 0.448 377 N N -0.226 118.451 118.700 -0.038 0.000 2.741 377 N HA -0.178 4.562 4.740 0.000 0.000 0.250 377 N C -1.252 174.236 175.510 -0.036 0.000 1.115 377 N CA 0.875 53.902 53.050 -0.038 0.000 0.724 377 N CB -1.684 36.786 38.487 -0.027 0.000 1.090 377 N HN 0.671 nan 8.380 nan 0.000 0.558 378 E N -0.337 119.839 120.200 -0.039 0.000 2.222 378 E HA 0.436 4.786 4.350 0.000 0.000 0.267 378 E C -0.360 176.217 176.600 -0.039 0.000 0.884 378 E CA -0.843 55.538 56.400 -0.032 0.000 0.764 378 E CB 2.260 31.946 29.700 -0.023 0.000 1.169 378 E HN -0.091 nan 8.360 nan 0.000 0.413 379 V N 4.863 124.758 119.914 -0.031 0.000 2.415 379 V HA 0.102 4.222 4.120 0.000 0.000 0.267 379 V C 0.126 176.211 176.094 -0.016 0.000 1.042 379 V CA 0.203 62.485 62.300 -0.029 0.000 1.000 379 V CB -0.197 31.614 31.823 -0.021 0.000 1.015 379 V HN 0.546 nan 8.190 nan 0.000 0.478 380 I N 9.068 129.630 120.570 -0.013 0.000 2.291 380 I HA 0.299 4.469 4.170 0.000 0.000 0.290 380 I C -1.978 174.155 176.117 0.027 0.000 1.050 380 I CA -1.807 59.496 61.300 0.005 0.000 1.245 380 I CB 1.388 39.390 38.000 0.004 0.000 1.405 380 I HN 0.427 nan 8.210 nan 0.000 0.478 381 P HA 0.143 nan 4.420 nan 0.000 0.275 381 P C 0.766 178.099 177.300 0.056 0.000 1.228 381 P CA 0.254 63.377 63.100 0.039 0.000 0.786 381 P CB 1.288 33.001 31.700 0.022 0.000 0.927 382 G N 0.610 109.460 108.800 0.084 0.000 2.162 382 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 382 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 382 G C -0.356 174.611 174.900 0.111 0.000 0.976 382 G CA 0.106 45.266 45.100 0.100 0.000 0.655 382 G HN 0.588 nan 8.290 nan 0.000 0.533 383 L N 0.397 121.692 121.223 0.121 0.000 2.317 383 L HA 0.778 5.118 4.340 0.000 0.000 0.281 383 L C 0.847 177.808 176.870 0.152 0.000 1.024 383 L CA -0.375 54.524 54.840 0.099 0.000 0.810 383 L CB 1.357 43.463 42.059 0.079 0.000 1.240 383 L HN 0.242 nan 8.230 nan 0.000 0.427 384 K N 1.424 121.830 120.400 0.011 0.000 2.792 384 K HA 0.431 4.751 4.320 0.000 0.000 0.207 384 K C -0.860 175.675 176.600 -0.108 0.000 1.103 384 K CA -0.233 55.946 56.287 -0.181 0.000 1.048 384 K CB 0.362 32.366 32.500 -0.827 0.000 0.777 384 K HN 0.470 nan 8.250 nan 0.000 0.468 385 S N -0.396 115.397 115.700 0.155 0.000 2.543 385 S HA 0.548 5.018 4.470 0.000 0.000 0.273 385 S C -0.675 174.025 174.600 0.167 0.000 1.152 385 S CA -0.792 57.495 58.200 0.145 0.000 0.910 385 S CB 1.108 64.314 63.200 0.010 0.000 1.105 385 S HN 0.254 nan 8.310 nan 0.000 0.465 386 c N 3.478 122.178 118.600 0.168 0.000 2.529 386 c HA 0.820 5.390 4.570 0.000 0.000 0.329 386 c C 0.096 174.221 174.090 0.058 0.000 1.194 386 c CA -0.684 55.688 56.329 0.071 0.000 1.779 386 c CB 1.034 43.554 42.510 0.018 0.000 2.322 386 c HN 0.964 nan 8.230 nan 0.000 0.500 387 M N 0.805 120.423 119.600 0.031 0.000 2.755 387 M HA 0.579 5.059 4.480 0.000 0.000 0.298 387 M C 0.906 177.216 176.300 0.017 0.000 1.251 387 M CA -0.026 55.289 55.300 0.025 0.000 0.817 387 M CB 1.533 34.139 32.600 0.009 0.000 1.760 387 M HN 0.975 nan 8.290 nan 0.000 0.473 388 G N 1.046 109.852 108.800 0.009 0.000 2.176 388 G HA2 -0.190 3.770 3.960 0.000 0.000 0.252 388 G HA3 -0.190 3.770 3.960 0.000 0.000 0.252 388 G C -0.739 174.176 174.900 0.024 0.000 1.024 388 G CA -0.272 44.830 45.100 0.003 0.000 0.755 388 G HN 0.384 nan 8.290 nan 0.000 0.507 389 L N -0.006 121.250 121.223 0.055 0.000 2.395 389 L HA 0.592 4.932 4.340 0.000 0.000 0.269 389 L C 0.879 177.831 176.870 0.137 0.000 1.133 389 L CA 0.190 55.085 54.840 0.093 0.000 0.812 389 L CB 0.906 43.043 42.059 0.130 0.000 1.125 389 L HN 0.262 nan 8.230 nan 0.000 0.452 390 K N 2.098 122.577 120.400 0.131 0.000 2.245 390 K HA 0.547 4.867 4.320 0.000 0.000 0.234 390 K C -0.694 175.975 176.600 0.116 0.000 1.021 390 K CA -1.087 55.303 56.287 0.171 0.000 0.898 390 K CB 1.049 33.609 32.500 0.099 0.000 1.163 390 K HN 0.226 nan 8.250 nan 0.000 0.459 391 I N 2.082 122.659 120.570 0.013 0.000 2.741 391 I HA -0.072 4.098 4.170 0.000 0.000 0.288 391 I C 1.348 177.453 176.117 -0.019 0.000 1.192 391 I CA 1.448 62.679 61.300 -0.114 0.000 1.426 391 I CB -0.557 37.344 38.000 -0.165 0.000 1.367 391 I HN 1.077 nan 8.210 nan 0.000 0.563 392 G N 5.236 114.031 108.800 -0.008 0.000 2.213 392 G HA2 -0.193 3.767 3.960 0.000 0.000 0.236 392 G HA3 -0.193 3.767 3.960 0.000 0.000 0.236 392 G C 0.117 175.035 174.900 0.029 0.000 0.991 392 G CA -0.344 44.764 45.100 0.013 0.000 0.629 392 G HN 0.526 nan 8.290 nan 0.000 0.517 393 D N 1.237 121.662 120.400 0.042 0.000 2.339 393 D HA 0.578 5.218 4.640 0.000 0.000 0.245 393 D C 0.427 176.758 176.300 0.050 0.000 1.115 393 D CA 0.809 54.835 54.000 0.044 0.000 0.917 393 D CB 1.147 41.978 40.800 0.051 0.000 1.192 393 D HN 0.140 nan 8.370 nan 0.000 0.428 394 T N 0.304 114.876 114.554 0.030 0.000 2.861 394 T HA 0.579 4.929 4.350 0.000 0.000 0.287 394 T C -0.142 174.551 174.700 -0.011 0.000 1.003 394 T CA -0.787 61.328 62.100 0.025 0.000 0.977 394 T CB 1.463 70.342 68.868 0.019 0.000 0.996 394 T HN 0.221 nan 8.240 nan 0.000 0.448 395 V N -0.506 119.392 119.914 -0.028 0.000 3.126 395 V HA 0.999 5.119 4.120 0.000 0.000 0.314 395 V C -0.405 175.587 176.094 -0.170 0.000 1.138 395 V CA -0.844 61.375 62.300 -0.135 0.000 1.034 395 V CB 2.070 33.778 31.823 -0.192 0.000 1.075 395 V HN 0.816 nan 8.190 nan 0.000 0.442 396 S N 0.274 115.756 115.700 -0.363 0.000 2.540 396 S HA 0.885 5.355 4.470 0.000 0.000 0.275 396 S C -1.571 172.724 174.600 -0.509 0.000 1.123 396 S CA -0.367 57.683 58.200 -0.250 0.000 0.907 396 S CB 1.222 64.353 63.200 -0.115 0.000 1.081 396 S HN 0.622 nan 8.310 nan 0.000 0.476 397 F N 1.212 121.178 119.950 0.026 0.000 2.577 397 F HA 0.627 5.154 4.527 0.000 0.000 0.318 397 F C 0.416 176.223 175.800 0.011 0.000 1.065 397 F CA -0.742 57.283 58.000 0.041 0.000 0.929 397 F CB 2.191 41.245 39.000 0.092 0.000 1.237 397 F HN 0.433 nan 8.300 nan 0.000 0.468 398 S N 2.221 118.017 115.700 0.160 0.000 2.498 398 S HA 0.782 5.252 4.470 0.000 0.000 0.317 398 S C -1.070 173.450 174.600 -0.133 0.000 1.090 398 S CA -0.384 57.808 58.200 -0.013 0.000 1.089 398 S CB 0.255 63.435 63.200 -0.034 0.000 0.997 398 S HN 0.399 nan 8.310 nan 0.000 0.470 399 I N 3.725 124.022 120.570 -0.454 0.000 2.433 399 I HA 0.481 4.651 4.170 0.000 0.000 0.292 399 I C 0.063 175.668 176.117 -0.853 0.000 1.001 399 I CA -0.296 60.550 61.300 -0.758 0.000 1.119 399 I CB 1.863 39.316 38.000 -0.913 0.000 1.289 399 I HN 0.594 nan 8.210 nan 0.000 0.438 400 E N 4.677 124.539 120.200 -0.564 0.000 2.165 400 E HA 0.763 5.113 4.350 0.000 0.000 0.266 400 E C -1.265 175.196 176.600 -0.232 0.000 0.889 400 E CA -0.872 55.330 56.400 -0.329 0.000 0.756 400 E CB 1.401 30.978 29.700 -0.205 0.000 1.131 400 E HN 0.754 nan 8.360 nan 0.000 0.411 401 A N 5.073 127.861 122.820 -0.054 0.000 2.276 401 A HA 0.410 4.730 4.320 0.000 0.000 0.316 401 A C -0.592 177.005 177.584 0.021 0.000 1.229 401 A CA -0.583 51.464 52.037 0.017 0.000 0.851 401 A CB 0.751 19.876 19.000 0.209 0.000 1.165 401 A HN 0.572 nan 8.150 nan 0.000 0.513 402 K N 2.724 123.119 120.400 -0.008 0.000 2.323 402 K HA 0.549 4.869 4.320 0.000 0.000 0.259 402 K C -1.274 175.347 176.600 0.035 0.000 0.947 402 K CA -0.465 55.831 56.287 0.014 0.000 0.819 402 K CB 1.858 34.351 32.500 -0.011 0.000 1.109 402 K HN 0.532 nan 8.250 nan 0.000 0.429 403 V N 4.380 124.342 119.914 0.079 0.000 2.644 403 V HA 0.391 4.511 4.120 0.000 0.000 0.295 403 V C -0.448 175.656 176.094 0.016 0.000 1.053 403 V CA -0.655 61.699 62.300 0.090 0.000 0.987 403 V CB 1.381 33.341 31.823 0.228 0.000 1.006 403 V HN 0.814 nan 8.190 nan 0.000 0.472 404 R N 4.585 125.067 120.500 -0.030 0.000 2.202 404 R HA 0.547 4.887 4.340 0.000 0.000 0.334 404 R C 0.769 177.023 176.300 -0.077 0.000 1.036 404 R CA 0.782 56.854 56.100 -0.046 0.000 0.878 404 R CB 0.451 30.721 30.300 -0.050 0.000 1.067 404 R HN 1.286 nan 8.270 nan 0.000 0.457 405 G N 2.857 111.624 108.800 -0.055 0.000 2.596 405 G HA2 -0.364 3.596 3.960 0.000 0.000 0.295 405 G HA3 -0.364 3.596 3.960 0.000 0.000 0.295 405 G C -0.732 174.110 174.900 -0.095 0.000 1.240 405 G CA 0.223 45.285 45.100 -0.065 0.000 0.985 405 G HN 0.813 nan 8.290 nan 0.000 0.555 406 c N 3.042 121.566 118.600 -0.127 0.000 2.383 406 c HA 0.747 5.317 4.570 0.000 0.000 0.330 406 c C -2.203 171.746 174.090 -0.236 0.000 1.168 406 c CA -0.902 55.324 56.329 -0.171 0.000 1.374 406 c CB 0.528 42.986 42.510 -0.088 0.000 2.014 406 c HN 0.790 nan 8.230 nan 0.000 0.439 407 P HA 0.333 nan 4.420 nan 0.000 0.278 407 P C 0.322 177.490 177.300 -0.220 0.000 1.238 407 P CA -0.077 62.811 63.100 -0.353 0.000 0.794 407 P CB 0.737 32.108 31.700 -0.547 0.000 0.955 408 Q N 0.387 120.111 119.800 -0.127 0.000 2.369 408 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 408 Q C 1.432 177.415 176.000 -0.028 0.000 0.963 408 Q CA 0.850 56.615 55.803 -0.064 0.000 0.894 408 Q CB 0.139 28.849 28.738 -0.047 0.000 0.965 408 Q HN 0.530 nan 8.270 nan 0.000 0.475 409 E N 0.759 120.942 120.200 -0.029 0.000 2.051 409 E HA -0.183 4.167 4.350 0.000 0.000 0.192 409 E C 0.806 177.468 176.600 0.103 0.000 0.991 409 E CA 0.793 57.214 56.400 0.034 0.000 0.799 409 E CB 0.169 29.899 29.700 0.049 0.000 0.748 409 E HN 0.160 nan 8.360 nan 0.000 0.449 410 K N -0.807 119.708 120.400 0.192 0.000 3.575 410 K HA -0.184 4.136 4.320 0.000 0.000 0.272 410 K C -0.067 176.713 176.600 0.301 0.000 1.019 410 K CA 1.403 57.876 56.287 0.310 0.000 1.123 410 K CB -1.093 31.489 32.500 0.137 0.000 1.364 410 K HN 0.300 nan 8.250 nan 0.000 0.482 411 E N 0.686 121.013 120.200 0.212 0.000 2.343 411 E HA 0.340 4.690 4.350 0.000 0.000 0.260 411 E C -0.840 175.830 176.600 0.117 0.000 0.908 411 E CA -0.380 56.078 56.400 0.096 0.000 0.814 411 E CB 1.883 31.604 29.700 0.034 0.000 1.302 411 E HN 0.061 nan 8.360 nan 0.000 0.408 412 K N 0.819 121.289 120.400 0.116 0.000 2.395 412 K HA 0.659 4.979 4.320 0.000 0.000 0.245 412 K C -0.779 175.866 176.600 0.075 0.000 1.017 412 K CA -0.923 55.448 56.287 0.139 0.000 0.852 412 K CB 2.181 34.841 32.500 0.266 0.000 1.311 412 K HN 0.496 nan 8.250 nan 0.000 0.452 413 S N 0.388 116.148 115.700 0.101 0.000 2.541 413 S HA 0.754 5.224 4.470 0.000 0.000 0.271 413 S C -0.931 173.765 174.600 0.161 0.000 1.133 413 S CA -0.980 57.249 58.200 0.048 0.000 0.876 413 S CB 0.790 63.968 63.200 -0.036 0.000 1.105 413 S HN 0.602 nan 8.310 nan 0.000 0.470 414 F N -1.066 118.879 119.950 -0.008 0.000 2.675 414 F HA 0.936 5.463 4.527 0.000 0.000 0.324 414 F C -0.882 174.921 175.800 0.006 0.000 1.106 414 F CA -0.884 57.123 58.000 0.012 0.000 0.970 414 F CB 1.227 40.248 39.000 0.035 0.000 1.385 414 F HN 0.535 nan 8.300 nan 0.000 0.489 415 T N 1.998 116.663 114.554 0.184 0.000 2.876 415 T HA 0.655 5.005 4.350 0.000 0.000 0.289 415 T C -0.874 173.948 174.700 0.205 0.000 1.014 415 T CA -0.471 61.663 62.100 0.057 0.000 0.986 415 T CB 1.685 70.581 68.868 0.047 0.000 1.021 415 T HN 0.558 nan 8.240 nan 0.000 0.458 416 I N 2.621 123.263 120.570 0.121 0.000 2.418 416 I HA 0.527 4.697 4.170 0.000 0.000 0.287 416 I C -0.243 175.899 176.117 0.042 0.000 1.008 416 I CA -0.702 60.688 61.300 0.150 0.000 1.104 416 I CB 1.707 39.851 38.000 0.240 0.000 1.264 416 I HN 0.316 nan 8.210 nan 0.000 0.438 417 K N 8.220 128.620 120.400 -0.000 0.000 2.535 417 K HA 0.541 4.861 4.320 0.000 0.000 0.250 417 K C -2.883 173.660 176.600 -0.095 0.000 0.948 417 K CA -1.657 54.614 56.287 -0.027 0.000 0.796 417 K CB 2.689 35.200 32.500 0.019 0.000 1.216 417 K HN 0.103 nan 8.250 nan 0.000 0.432 418 P HA 0.031 nan 4.420 nan 0.000 0.275 418 P C -0.613 176.679 177.300 -0.012 0.000 1.227 418 P CA -0.547 62.401 63.100 -0.254 0.000 0.781 418 P CB 0.766 32.005 31.700 -0.768 0.000 0.906 419 V N 3.130 123.056 119.914 0.019 0.000 2.540 419 V HA 0.253 4.373 4.120 0.000 0.000 0.297 419 V C 1.679 177.924 176.094 0.252 0.000 1.024 419 V CA 1.724 64.084 62.300 0.100 0.000 1.105 419 V CB -0.545 31.307 31.823 0.048 0.000 0.938 419 V HN 1.035 nan 8.190 nan 0.000 0.482 420 G N 4.182 113.105 108.800 0.206 0.000 2.143 420 G HA2 -0.256 3.704 3.960 0.000 0.000 0.249 420 G HA3 -0.256 3.704 3.960 0.000 0.000 0.249 420 G C -0.256 174.743 174.900 0.164 0.000 0.981 420 G CA -0.141 45.061 45.100 0.170 0.000 0.665 420 G HN 0.484 nan 8.290 nan 0.000 0.528 421 F N 0.131 120.095 119.950 0.023 0.000 2.450 421 F HA 0.583 5.110 4.527 0.000 0.000 0.332 421 F C 1.515 177.326 175.800 0.019 0.000 1.093 421 F CA -1.005 57.010 58.000 0.024 0.000 1.003 421 F CB 1.518 40.533 39.000 0.026 0.000 1.151 421 F HN -0.133 nan 8.300 nan 0.000 0.474 422 K N 0.299 120.788 120.400 0.147 0.000 2.103 422 K HA -0.063 4.257 4.320 0.000 0.000 0.204 422 K C -0.283 176.390 176.600 0.122 0.000 1.052 422 K CA 0.977 57.325 56.287 0.101 0.000 0.945 422 K CB -0.173 32.358 32.500 0.052 0.000 0.722 422 K HN 0.642 nan 8.250 nan 0.000 0.443 423 D N 0.883 121.390 120.400 0.177 0.000 2.399 423 D HA 0.076 4.716 4.640 0.000 0.000 0.241 423 D C -0.045 176.312 176.300 0.094 0.000 1.133 423 D CA 0.309 54.390 54.000 0.135 0.000 0.890 423 D CB 0.954 41.857 40.800 0.172 0.000 1.201 423 D HN 0.109 nan 8.370 nan 0.000 0.432 424 S N 0.555 116.283 115.700 0.047 0.000 2.615 424 S HA 0.536 5.006 4.470 0.000 0.000 0.269 424 S C -1.701 172.897 174.600 -0.003 0.000 1.161 424 S CA -1.146 57.065 58.200 0.018 0.000 0.817 424 S CB 0.948 64.159 63.200 0.018 0.000 1.131 424 S HN 0.335 nan 8.310 nan 0.000 0.467 425 L N 1.758 122.971 121.223 -0.016 0.000 2.276 425 L HA 0.629 4.969 4.340 0.000 0.000 0.286 425 L C -1.055 175.735 176.870 -0.132 0.000 1.024 425 L CA -0.773 54.034 54.840 -0.055 0.000 0.826 425 L CB 0.379 42.429 42.059 -0.015 0.000 1.211 425 L HN 0.751 nan 8.230 nan 0.000 0.422 426 I N 5.969 126.441 120.570 -0.163 0.000 2.396 426 I HA 0.219 4.389 4.170 0.000 0.000 0.289 426 I C -0.442 175.445 176.117 -0.383 0.000 1.056 426 I CA -0.540 60.614 61.300 -0.242 0.000 1.365 426 I CB 1.156 39.059 38.000 -0.163 0.000 1.407 426 I HN 0.276 nan 8.210 nan 0.000 0.509 427 V N 7.034 126.552 119.914 -0.659 0.000 2.328 427 V HA 0.201 4.321 4.120 0.000 0.000 0.278 427 V C 0.039 175.781 176.094 -0.585 0.000 1.021 427 V CA -0.665 61.158 62.300 -0.793 0.000 0.838 427 V CB 1.047 32.060 31.823 -1.351 0.000 0.999 427 V HN 0.694 nan 8.190 nan 0.000 0.447 428 Q N 3.478 123.060 119.800 -0.362 0.000 2.294 428 Q HA 0.476 4.816 4.340 0.000 0.000 0.257 428 Q C -0.780 175.083 176.000 -0.229 0.000 0.955 428 Q CA -0.336 55.325 55.803 -0.237 0.000 0.936 428 Q CB 1.966 30.596 28.738 -0.179 0.000 1.188 428 Q HN 0.610 nan 8.270 nan 0.000 0.420 429 V N 3.020 122.815 119.914 -0.199 0.000 2.398 429 V HA 0.350 4.470 4.120 0.000 0.000 0.286 429 V C 0.006 175.818 176.094 -0.471 0.000 1.026 429 V CA -0.560 61.547 62.300 -0.321 0.000 0.868 429 V CB 1.652 33.298 31.823 -0.295 0.000 0.982 429 V HN 0.738 nan 8.190 nan 0.000 0.443 430 T N 5.239 119.501 114.554 -0.487 0.000 2.823 430 T HA 0.651 5.001 4.350 0.000 0.000 0.279 430 T C -0.673 173.707 174.700 -0.534 0.000 0.998 430 T CA -0.135 61.723 62.100 -0.404 0.000 0.994 430 T CB 0.915 69.670 68.868 -0.188 0.000 0.960 430 T HN 0.317 nan 8.240 nan 0.000 0.448 431 F N 1.841 121.784 119.950 -0.011 0.000 2.361 431 F HA 0.331 4.858 4.527 0.000 0.000 0.364 431 F C 0.571 176.356 175.800 -0.025 0.000 1.117 431 F CA -1.069 56.922 58.000 -0.016 0.000 1.071 431 F CB 0.919 39.911 39.000 -0.012 0.000 1.188 431 F HN 0.443 nan 8.300 nan 0.000 0.464 432 D N 2.909 123.370 120.400 0.102 0.000 2.500 432 D HA 0.252 4.892 4.640 0.000 0.000 0.219 432 D C 0.114 176.434 176.300 0.033 0.000 1.137 432 D CA -0.036 53.987 54.000 0.038 0.000 0.946 432 D CB 0.382 41.178 40.800 -0.007 0.000 1.022 432 D HN 0.564 nan 8.370 nan 0.000 0.518 433 c N 2.191 120.810 118.600 0.032 0.000 2.865 433 c HA 0.228 4.798 4.570 0.000 0.000 0.280 433 c C 0.433 174.504 174.090 -0.030 0.000 1.255 433 c CA -0.341 55.990 56.329 0.003 0.000 1.705 433 c CB -0.434 42.077 42.510 0.003 0.000 2.080 433 c HN 0.509 nan 8.230 nan 0.000 0.591 434 D N -0.147 120.234 120.400 -0.032 0.000 2.277 434 D HA 0.358 4.998 4.640 0.000 0.000 0.250 434 D C -0.292 175.972 176.300 -0.060 0.000 1.032 434 D CA -0.103 53.863 54.000 -0.057 0.000 0.947 434 D CB 0.905 41.676 40.800 -0.048 0.000 1.159 434 D HN 0.203 nan 8.370 nan 0.000 0.460 435 c N 0.476 119.024 118.600 -0.087 0.000 2.382 435 c HA 0.534 5.104 4.570 0.000 0.000 0.363 435 c C 1.977 176.037 174.090 -0.050 0.000 1.213 435 c CA -0.493 55.794 56.329 -0.071 0.000 2.363 435 c CB 0.828 43.267 42.510 -0.119 0.000 2.397 435 c HN 0.776 nan 8.230 nan 0.000 0.573 436 A N 0.570 123.377 122.820 -0.023 0.000 1.969 436 A HA -0.146 4.174 4.320 0.000 0.000 0.218 436 A C 1.981 179.555 177.584 -0.018 0.000 1.169 436 A CA 2.098 54.127 52.037 -0.013 0.000 0.635 436 A CB -0.928 18.075 19.000 0.004 0.000 0.810 436 A HN 1.116 nan 8.150 nan 0.000 0.445 437 c N -1.256 117.332 118.600 -0.022 0.000 2.437 437 c HA -0.012 4.558 4.570 0.000 0.000 0.283 437 c C 2.319 176.374 174.090 -0.057 0.000 1.424 437 c CA 0.668 56.981 56.329 -0.028 0.000 1.782 437 c CB -1.780 40.720 42.510 -0.016 0.000 1.833 437 c HN 0.639 nan 8.230 nan 0.000 0.532 438 Q N 1.512 121.269 119.800 -0.072 0.000 2.224 438 Q HA -0.018 4.322 4.340 0.000 0.000 0.203 438 Q C 2.611 178.584 176.000 -0.045 0.000 0.970 438 Q CA 1.530 57.288 55.803 -0.075 0.000 0.865 438 Q CB -0.250 28.437 28.738 -0.085 0.000 0.922 438 Q HN 0.855 nan 8.270 nan 0.000 0.445 439 A N 0.778 123.580 122.820 -0.031 0.000 1.933 439 A HA -0.167 4.153 4.320 0.000 0.000 0.218 439 A C 1.188 178.766 177.584 -0.009 0.000 1.175 439 A CA 1.037 53.063 52.037 -0.017 0.000 0.628 439 A CB -0.051 18.941 19.000 -0.012 0.000 0.814 439 A HN 0.203 nan 8.150 nan 0.000 0.444 440 Q N -0.290 119.504 119.800 -0.009 0.000 3.207 440 Q HA 0.594 4.934 4.340 0.000 0.000 0.335 440 Q C 0.990 176.991 176.000 0.001 0.000 1.374 440 Q CA 0.425 56.230 55.803 0.004 0.000 1.023 440 Q CB 0.240 28.985 28.738 0.011 0.000 1.576 440 Q HN 0.515 nan 8.270 nan 0.000 0.515 441 A N 1.042 123.863 122.820 0.000 0.000 2.014 441 A HA -0.085 4.235 4.320 0.000 0.000 0.218 441 A C 0.217 177.828 177.584 0.046 0.000 1.163 441 A CA 0.268 52.304 52.037 -0.002 0.000 0.652 441 A CB -0.009 18.987 19.000 -0.007 0.000 0.808 441 A HN 0.619 nan 8.150 nan 0.000 0.449 442 E N -1.539 118.698 120.200 0.061 0.000 2.937 442 E HA -0.165 4.186 4.350 0.000 0.000 0.152 442 E C -1.938 174.717 176.600 0.092 0.000 1.769 442 E CA 0.145 56.599 56.400 0.090 0.000 0.688 442 E CB -1.102 28.692 29.700 0.158 0.000 1.091 442 E HN 0.374 nan 8.360 nan 0.000 0.362 443 P HA -0.213 nan 4.420 nan 0.000 0.217 443 P C 0.367 177.708 177.300 0.068 0.000 1.158 443 P CA 1.321 64.454 63.100 0.055 0.000 0.887 443 P CB 0.173 31.896 31.700 0.038 0.000 0.792 444 N N -0.904 117.838 118.700 0.071 0.000 2.454 444 N HA -0.012 4.728 4.740 0.000 0.000 0.254 444 N C 1.458 177.033 175.510 0.108 0.000 1.228 444 N CA 0.454 53.551 53.050 0.079 0.000 0.900 444 N CB 0.419 38.953 38.487 0.079 0.000 1.089 444 N HN 0.147 nan 8.380 nan 0.000 0.449 445 S N 1.813 117.571 115.700 0.097 0.000 2.335 445 S HA -0.191 4.279 4.470 0.000 0.000 0.217 445 S C 1.078 175.754 174.600 0.125 0.000 1.032 445 S CA 1.664 59.928 58.200 0.106 0.000 0.985 445 S CB -0.392 62.848 63.200 0.067 0.000 0.896 445 S HN 0.889 nan 8.310 nan 0.000 0.445 446 H N 0.900 119.950 119.070 -0.034 0.000 4.955 446 H HA -0.278 4.278 4.556 0.000 0.000 0.059 446 H C 1.737 177.003 175.328 -0.102 0.000 0.580 446 H CA 2.333 58.332 56.048 -0.080 0.000 0.969 446 H CB -1.269 28.416 29.762 -0.129 0.000 0.469 446 H HN 0.402 nan 8.280 nan 0.000 0.792 447 R N -0.612 119.888 120.500 0.001 0.000 2.090 447 R HA 0.147 4.487 4.340 0.000 0.000 0.219 447 R C 2.446 178.737 176.300 -0.015 0.000 1.100 447 R CA 1.136 57.206 56.100 -0.051 0.000 0.991 447 R CB 0.037 30.252 30.300 -0.142 0.000 0.893 447 R HN 0.443 nan 8.270 nan 0.000 0.443 448 c N 0.548 119.164 118.600 0.028 0.000 2.541 448 c HA 0.088 4.658 4.570 0.000 0.000 0.282 448 c C 0.666 174.764 174.090 0.013 0.000 1.263 448 c CA -0.104 56.249 56.329 0.041 0.000 1.709 448 c CB -0.746 41.807 42.510 0.073 0.000 2.097 448 c HN 0.567 nan 8.230 nan 0.000 0.480 449 N N 1.365 120.070 118.700 0.007 0.000 2.714 449 N HA -0.168 4.572 4.740 0.000 0.000 0.250 449 N C -0.774 174.736 175.510 -0.001 0.000 1.117 449 N CA 1.085 54.130 53.050 -0.008 0.000 0.719 449 N CB -1.915 36.550 38.487 -0.037 0.000 1.081 449 N HN 0.712 nan 8.380 nan 0.000 0.557 450 N N -0.375 118.331 118.700 0.011 0.000 2.622 450 N HA 0.409 5.149 4.740 0.000 0.000 0.304 450 N C 0.471 175.991 175.510 0.016 0.000 1.844 450 N CA 0.427 53.484 53.050 0.011 0.000 0.886 450 N CB 0.841 39.335 38.487 0.012 0.000 1.366 450 N HN 0.336 nan 8.380 nan 0.000 0.491 451 G N 0.322 109.132 108.800 0.016 0.000 2.246 451 G HA2 -0.325 3.635 3.960 0.000 0.000 0.273 451 G HA3 -0.325 3.635 3.960 0.000 0.000 0.273 451 G C 0.537 175.451 174.900 0.024 0.000 1.055 451 G CA 0.406 45.517 45.100 0.018 0.000 0.851 451 G HN 0.398 nan 8.290 nan 0.000 0.500 452 N N 0.337 119.057 118.700 0.032 0.000 2.622 452 N HA 0.448 5.188 4.740 0.000 0.000 0.213 452 N C 1.314 176.851 175.510 0.045 0.000 1.037 452 N CA 1.729 54.803 53.050 0.040 0.000 0.999 452 N CB -0.284 38.235 38.487 0.053 0.000 1.342 452 N HN 1.734 nan 8.380 nan 0.000 0.465 453 G N 1.100 109.933 108.800 0.055 0.000 2.767 453 G HA2 0.171 4.131 3.960 0.000 0.000 0.686 453 G HA3 0.171 4.131 3.960 0.000 0.000 0.686 453 G C -0.273 174.675 174.900 0.080 0.000 1.213 453 G CA 0.216 45.352 45.100 0.060 0.000 0.803 453 G HN 1.134 nan 8.290 nan 0.000 0.603 454 T N -2.078 112.536 114.554 0.100 0.000 0.541 454 T HA 0.208 4.558 4.350 0.000 0.000 0.774 454 T C -0.504 174.319 174.700 0.205 0.000 0.992 454 T CA 1.051 63.224 62.100 0.121 0.000 4.077 454 T CB -0.768 68.139 68.868 0.065 0.000 2.303 454 T HN 2.299 nan 8.240 nan 0.000 0.398 455 F N 2.998 122.966 119.950 0.031 0.000 2.902 455 F HA 0.542 5.069 4.527 0.000 0.000 0.368 455 F C -0.372 175.447 175.800 0.033 0.000 1.202 455 F CA -0.377 57.647 58.000 0.039 0.000 1.109 455 F CB 1.163 40.191 39.000 0.046 0.000 1.418 455 F HN 0.953 nan 8.300 nan 0.000 0.527 456 E N 3.257 123.231 120.200 -0.377 0.000 2.222 456 E HA 0.496 4.846 4.350 0.000 0.000 0.267 456 E C -0.038 176.339 176.600 -0.372 0.000 0.884 456 E CA -0.993 55.208 56.400 -0.331 0.000 0.764 456 E CB 1.374 30.973 29.700 -0.169 0.000 1.169 456 E HN 0.697 nan 8.360 nan 0.000 0.413 457 c N 2.893 121.326 118.600 -0.279 0.000 4.331 457 c HA -0.078 4.492 4.570 0.000 0.000 0.293 457 c C 1.246 175.335 174.090 -0.002 0.000 1.436 457 c CA 0.671 56.963 56.329 -0.060 0.000 1.993 457 c CB -2.430 40.080 42.510 0.000 0.000 1.266 457 c HN 1.510 nan 8.230 nan 0.000 0.795 458 G N -1.475 107.092 108.800 -0.388 0.000 2.341 458 G HA2 0.166 4.126 3.960 0.000 0.000 0.278 458 G HA3 0.166 4.126 3.960 0.000 0.000 0.278 458 G C -0.456 174.429 174.900 -0.026 0.000 1.111 458 G CA 0.508 45.482 45.100 -0.209 0.000 0.982 458 G HN 2.105 nan 8.290 nan 0.000 0.502 459 V N -0.871 118.945 119.914 -0.164 0.000 3.177 459 V HA 0.606 4.726 4.120 0.000 0.000 0.287 459 V C 0.504 176.704 176.094 0.176 0.000 1.465 459 V CA -0.242 62.132 62.300 0.123 0.000 1.020 459 V CB 1.561 33.498 31.823 0.190 0.000 1.152 459 V HN 0.745 nan 8.190 nan 0.000 0.448 460 c N 3.670 122.402 118.600 0.220 0.000 2.574 460 c HA 0.629 5.199 4.570 0.000 0.000 0.335 460 c C 1.015 175.174 174.090 0.114 0.000 1.493 460 c CA -0.640 55.801 56.329 0.187 0.000 2.217 460 c CB 0.522 43.126 42.510 0.156 0.000 2.056 460 c HN 0.925 nan 8.230 nan 0.000 0.607 461 R N 0.000 120.554 120.500 0.089 0.000 2.786 461 R HA 0.000 4.340 4.340 0.000 0.000 0.208 461 R CA 0.000 56.135 56.100 0.059 0.000 0.921 461 R CB 0.000 30.328 30.300 0.047 0.000 0.687 461 R HN 0.000 nan 8.270 nan 0.000 0.535