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 2hhp_1_A DATA FIRST_RESID 4 DATA SEQUENCE QKVFGITGPV STVGATAAEN KLNDSLIQEL KKEGSFETEQ ETANRVQVLK DATA SEQUENCE ILQELAQRFV YEVSKKKNMS DGMARDAGGK IFTYGSYRLG VHGPGSDIDT DATA SEQUENCE LVVVPKHVTR EDFFTVFDSL LRERKELDEI APVPDAFVPI IKIKFSGISI DATA SEQUENCE DLICARLDQP QVPLSLTLSD KNLLRNLDEK DLRALNGTRV TDEILELVPK DATA SEQUENCE PNVFRIALRA IKLWAQRRAV YANIFGFPGG VAWAMLVARI CQLYPNACSA DATA SEQUENCE VILNRFFIIL SEWNWPQPVI LKPIEDGPLQ VRVWNPKIYA QDRSHRMPVI DATA SEQUENCE TPAYPSMCAT HNITESTKKV ILQEFVRGVQ ITNDIFSNKK SWANLFEKND DATA SEQUENCE FFFRYKFYLE ITAYTRGSDE QHLKWSGLVE SKVRLLVMKL EVLAGIKIAH DATA SEQUENCE PFTKPFESSY CCPTEDDYEM IQDKYGSHKT ETALNALKXX XXXXXXXXXX DATA SEQUENCE XXXPKAYLST MYIGLDFNXX XXKEKVDIHI PCTEFVNLCR SFNEDYGDHK DATA SEQUENCE VFNLALRFVK GYDLPDEVFD ENEKRPS 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.973 176.000 -0.044 0.000 1.003 4 Q CA 0.000 55.839 55.803 0.060 0.000 1.022 4 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 5 K N 0.189 120.538 120.400 -0.085 0.000 2.281 5 K HA -0.075 2.437 4.320 -3.014 0.000 0.203 5 K C 1.143 177.653 176.600 -0.149 0.000 1.046 5 K CA 1.289 57.531 56.287 -0.075 0.000 0.938 5 K CB 0.051 32.513 32.500 -0.064 0.000 0.737 5 K HN 0.302 nan 8.250 nan 0.000 0.458 6 V N 0.940 120.654 119.914 -0.333 0.000 2.913 6 V HA -0.103 2.208 4.120 -3.014 0.000 0.260 6 V C 0.992 176.790 176.094 -0.492 0.000 1.098 6 V CA 1.270 63.289 62.300 -0.469 0.000 1.121 6 V CB -0.552 30.898 31.823 -0.621 0.000 0.714 6 V HN 0.331 nan 8.190 nan 0.000 0.487 7 F N -0.402 119.545 119.950 -0.004 0.000 2.695 7 F HA 0.524 3.249 4.527 -3.004 0.000 0.303 7 F C 1.539 177.336 175.800 -0.005 0.000 1.091 7 F CA 0.407 58.403 58.000 -0.007 0.000 1.300 7 F CB -0.003 38.989 39.000 -0.013 0.000 1.071 7 F HN 0.241 nan 8.300 nan 0.000 0.578 8 G N 2.239 111.094 108.800 0.091 0.000 2.593 8 G HA2 -0.331 1.820 3.960 -3.014 0.000 0.237 8 G HA3 -0.331 1.820 3.960 -3.014 0.000 0.237 8 G C 0.654 175.598 174.900 0.074 0.000 1.312 8 G CA -0.051 45.089 45.100 0.067 0.000 0.896 8 G HN 0.460 nan 8.290 nan 0.000 0.574 9 I N -2.076 118.535 120.570 0.068 0.000 3.419 9 I HA 0.279 2.640 4.170 -3.014 0.000 0.286 9 I C 1.969 178.116 176.117 0.049 0.000 1.268 9 I CA 1.748 63.084 61.300 0.060 0.000 1.414 9 I CB 0.024 38.062 38.000 0.064 0.000 1.074 9 I HN 0.734 nan 8.210 nan 0.000 0.457 10 T N -1.868 112.715 114.554 0.049 0.000 3.044 10 T HA 0.570 3.112 4.350 -3.014 0.000 0.260 10 T C 0.930 175.634 174.700 0.007 0.000 1.019 10 T CA 0.170 62.281 62.100 0.018 0.000 0.921 10 T CB -0.035 68.831 68.868 -0.004 0.000 1.053 10 T HN 0.804 nan 8.240 nan 0.000 0.533 11 G N 2.657 111.479 108.800 0.037 0.000 2.758 11 G HA2 0.018 2.170 3.960 -3.014 0.000 0.686 11 G HA3 0.018 2.170 3.960 -3.014 0.000 0.686 11 G C -3.054 171.823 174.900 -0.038 0.000 1.389 11 G CA -0.702 44.401 45.100 0.006 0.000 0.845 11 G HN 0.423 nan 8.290 nan 0.000 0.572 12 P HA 0.390 nan 4.420 nan 0.000 0.277 12 P C 1.134 178.301 177.300 -0.220 0.000 1.240 12 P CA -0.364 62.638 63.100 -0.164 0.000 0.798 12 P CB 1.442 33.003 31.700 -0.232 0.000 0.979 13 V N 0.743 120.439 119.914 -0.364 0.000 2.379 13 V HA -0.047 2.264 4.120 -3.014 0.000 0.245 13 V C 1.320 177.256 176.094 -0.263 0.000 1.044 13 V CA 1.873 63.954 62.300 -0.366 0.000 1.036 13 V CB -0.301 31.171 31.823 -0.584 0.000 0.664 13 V HN 0.728 nan 8.190 nan 0.000 0.453 14 S N -1.262 114.264 115.700 -0.290 0.000 2.572 14 S HA 0.354 3.016 4.470 -3.014 0.000 0.274 14 S C 0.496 175.077 174.600 -0.032 0.000 1.150 14 S CA 0.084 58.242 58.200 -0.070 0.000 0.944 14 S CB 1.928 65.193 63.200 0.108 0.000 1.071 14 S HN 0.481 nan 8.310 nan 0.000 0.479 15 T N 0.853 115.387 114.554 -0.034 0.000 3.122 15 T HA 0.271 2.812 4.350 -3.014 0.000 0.250 15 T C 0.487 175.209 174.700 0.037 0.000 1.067 15 T CA -0.108 61.983 62.100 -0.015 0.000 0.966 15 T CB -0.299 68.520 68.868 -0.081 0.000 1.002 15 T HN 0.376 nan 8.240 nan 0.000 0.542 16 V N 2.441 122.391 119.914 0.059 0.000 2.617 16 V HA 0.409 2.721 4.120 -3.014 0.000 0.304 16 V C 1.489 177.636 176.094 0.088 0.000 1.040 16 V CA -0.018 62.323 62.300 0.069 0.000 1.149 16 V CB 0.017 31.886 31.823 0.076 0.000 0.914 16 V HN 0.637 nan 8.190 nan 0.000 0.487 17 G N 3.156 111.999 108.800 0.072 0.000 2.599 17 G HA2 0.524 2.676 3.960 -3.014 0.000 0.264 17 G HA3 0.524 2.676 3.960 -3.014 0.000 0.264 17 G C 0.173 175.120 174.900 0.079 0.000 1.200 17 G CA -0.125 45.020 45.100 0.076 0.000 0.896 17 G HN 1.209 nan 8.290 nan 0.000 0.536 18 A N 0.260 123.128 122.820 0.079 0.000 2.498 18 A HA 0.527 3.038 4.320 -3.014 0.000 0.239 18 A C 1.172 178.793 177.584 0.062 0.000 1.068 18 A CA 0.507 52.591 52.037 0.078 0.000 0.766 18 A CB -0.225 18.819 19.000 0.073 0.000 1.003 18 A HN 1.328 nan 8.150 nan 0.000 0.497 19 T N -0.627 113.964 114.554 0.063 0.000 2.816 19 T HA 0.517 3.059 4.350 -3.014 0.000 0.282 19 T C 1.382 176.102 174.700 0.034 0.000 0.993 19 T CA -0.053 62.075 62.100 0.047 0.000 0.994 19 T CB 1.099 69.996 68.868 0.048 0.000 1.025 19 T HN 1.227 nan 8.240 nan 0.000 0.529 20 A N 0.887 123.722 122.820 0.024 0.000 1.908 20 A HA 0.145 2.657 4.320 -3.014 0.000 0.218 20 A C 2.647 180.234 177.584 0.005 0.000 1.181 20 A CA 1.939 53.984 52.037 0.014 0.000 0.627 20 A CB -1.589 17.417 19.000 0.011 0.000 0.818 20 A HN 1.245 nan 8.150 nan 0.000 0.445 21 A N -0.222 122.599 122.820 0.002 0.000 1.902 21 A HA -0.170 2.342 4.320 -3.014 0.000 0.217 21 A C 1.910 179.467 177.584 -0.045 0.000 1.181 21 A CA 1.675 53.699 52.037 -0.021 0.000 0.623 21 A CB -0.527 18.462 19.000 -0.018 0.000 0.818 21 A HN 0.642 nan 8.150 nan 0.000 0.443 22 E N -0.043 120.150 120.200 -0.011 0.000 2.077 22 E HA -0.164 2.378 4.350 -3.014 0.000 0.193 22 E C 1.689 178.293 176.600 0.006 0.000 0.989 22 E CA 1.081 57.478 56.400 -0.005 0.000 0.800 22 E CB -0.185 29.574 29.700 0.099 0.000 0.746 22 E HN 0.517 nan 8.360 nan 0.000 0.452 23 N N 0.922 119.633 118.700 0.017 0.000 2.244 23 N HA -0.153 2.779 4.740 -3.014 0.000 0.183 23 N C 1.654 177.168 175.510 0.008 0.000 1.016 23 N CA 0.911 53.971 53.050 0.018 0.000 0.866 23 N CB -0.091 38.406 38.487 0.017 0.000 0.980 23 N HN -0.000 nan 8.380 nan 0.000 0.430 24 K N 1.534 121.933 120.400 -0.002 0.000 2.057 24 K HA 0.041 2.552 4.320 -3.014 0.000 0.206 24 K C 1.949 178.561 176.600 0.020 0.000 1.050 24 K CA 0.888 57.175 56.287 -0.000 0.000 0.935 24 K CB -0.541 31.951 32.500 -0.014 0.000 0.715 24 K HN 0.105 nan 8.250 nan 0.000 0.439 25 L N 1.036 122.256 121.223 -0.004 0.000 2.079 25 L HA -0.183 2.349 4.340 -3.014 0.000 0.210 25 L C 2.568 179.560 176.870 0.204 0.000 1.081 25 L CA 1.534 56.425 54.840 0.085 0.000 0.752 25 L CB -0.655 41.295 42.059 -0.182 0.000 0.896 25 L HN 0.409 nan 8.230 nan 0.000 0.433 26 N N 0.001 118.743 118.700 0.070 0.000 2.142 26 N HA -0.200 2.732 4.740 -3.014 0.000 0.186 26 N C 1.369 176.855 175.510 -0.039 0.000 1.023 26 N CA 1.562 54.609 53.050 -0.006 0.000 0.852 26 N CB 0.022 38.512 38.487 0.004 0.000 0.998 26 N HN 0.309 nan 8.380 nan 0.000 0.424 27 D N 0.255 120.653 120.400 -0.003 0.000 2.104 27 D HA -0.086 2.746 4.640 -3.014 0.000 0.194 27 D C 1.972 178.277 176.300 0.008 0.000 0.994 27 D CA 0.876 54.871 54.000 -0.008 0.000 0.830 27 D CB -0.434 40.367 40.800 0.002 0.000 0.959 27 D HN 0.168 nan 8.370 nan 0.000 0.452 28 S N 0.597 116.340 115.700 0.072 0.000 2.370 28 S HA -0.161 2.500 4.470 -3.014 0.000 0.226 28 S C 1.872 176.511 174.600 0.065 0.000 1.033 28 S CA 0.559 58.854 58.200 0.159 0.000 1.011 28 S CB -0.300 63.098 63.200 0.331 0.000 0.852 28 S HN 0.194 nan 8.310 nan 0.000 0.457 29 L N 1.913 122.977 121.223 -0.265 0.000 1.994 29 L HA -0.012 2.520 4.340 -3.014 0.000 0.208 29 L C 1.934 178.633 176.870 -0.286 0.000 1.071 29 L CA 1.658 56.002 54.840 -0.826 0.000 0.745 29 L CB -0.663 40.696 42.059 -1.167 0.000 0.892 29 L HN 0.285 nan 8.230 nan 0.000 0.431 30 I N -0.599 119.878 120.570 -0.155 0.000 2.226 30 I HA -0.339 2.023 4.170 -3.014 0.000 0.245 30 I C 2.655 178.788 176.117 0.027 0.000 1.100 30 I CA 1.717 63.002 61.300 -0.026 0.000 1.374 30 I CB -0.425 37.550 38.000 -0.041 0.000 1.057 30 I HN 0.526 nan 8.210 nan 0.000 0.413 31 Q N 1.021 120.825 119.800 0.007 0.000 2.077 31 Q HA -0.324 2.208 4.340 -3.014 0.000 0.206 31 Q C 2.083 178.123 176.000 0.066 0.000 0.989 31 Q CA 2.312 58.134 55.803 0.033 0.000 0.853 31 Q CB -0.056 28.706 28.738 0.041 0.000 0.907 31 Q HN 0.368 nan 8.270 nan 0.000 0.418 32 E N 0.265 120.518 120.200 0.089 0.000 2.077 32 E HA -0.150 2.392 4.350 -3.014 0.000 0.193 32 E C 1.997 178.631 176.600 0.056 0.000 0.989 32 E CA 1.254 57.735 56.400 0.135 0.000 0.800 32 E CB -0.323 29.550 29.700 0.289 0.000 0.746 32 E HN 0.482 nan 8.360 nan 0.000 0.452 33 L N 0.246 121.473 121.223 0.008 0.000 2.012 33 L HA -0.246 2.286 4.340 -3.014 0.000 0.210 33 L C 2.496 179.385 176.870 0.031 0.000 1.073 33 L CA 1.750 56.538 54.840 -0.088 0.000 0.748 33 L CB -0.469 41.545 42.059 -0.075 0.000 0.891 33 L HN 0.113 nan 8.230 nan 0.000 0.431 34 K N 0.194 120.718 120.400 0.206 0.000 2.002 34 K HA -0.241 2.270 4.320 -3.014 0.000 0.209 34 K C 2.168 178.820 176.600 0.086 0.000 1.048 34 K CA 1.527 57.947 56.287 0.221 0.000 0.930 34 K CB -0.207 32.359 32.500 0.110 0.000 0.714 34 K HN 0.161 nan 8.250 nan 0.000 0.438 35 K N 1.564 121.996 120.400 0.054 0.000 2.113 35 K HA -0.198 2.313 4.320 -3.014 0.000 0.208 35 K C 1.152 177.757 176.600 0.007 0.000 1.047 35 K CA 1.654 57.961 56.287 0.034 0.000 0.928 35 K CB 0.093 32.622 32.500 0.048 0.000 0.716 35 K HN 0.189 nan 8.250 nan 0.000 0.446 36 E N -0.866 119.318 120.200 -0.027 0.000 2.437 36 E HA 0.055 2.597 4.350 -3.014 0.000 0.189 36 E C 0.378 176.913 176.600 -0.109 0.000 1.054 36 E CA 0.375 56.728 56.400 -0.077 0.000 0.874 36 E CB 0.511 30.126 29.700 -0.143 0.000 1.011 36 E HN 0.607 nan 8.360 nan 0.000 0.474 37 G N 2.007 110.763 108.800 -0.072 0.000 2.149 37 G HA2 -0.320 1.832 3.960 -3.014 0.000 0.235 37 G HA3 -0.320 1.832 3.960 -3.014 0.000 0.235 37 G C 0.912 175.723 174.900 -0.149 0.000 1.018 37 G CA 0.602 45.659 45.100 -0.072 0.000 0.728 37 G HN 0.332 nan 8.290 nan 0.000 0.508 38 S N -1.266 114.281 115.700 -0.255 0.000 2.402 38 S HA 0.278 2.939 4.470 -3.014 0.000 0.229 38 S C 0.865 175.106 174.600 -0.598 0.000 1.021 38 S CA 0.758 58.641 58.200 -0.528 0.000 0.974 38 S CB -0.149 62.553 63.200 -0.830 0.000 0.800 38 S HN 0.439 nan 8.310 nan 0.000 0.484 39 F N 2.403 122.265 119.950 -0.146 0.000 2.443 39 F HA 0.414 3.131 4.527 -3.017 0.000 0.335 39 F C 0.444 176.179 175.800 -0.108 0.000 1.104 39 F CA -1.230 56.681 58.000 -0.149 0.000 1.013 39 F CB 1.156 40.082 39.000 -0.122 0.000 1.136 39 F HN 0.201 nan 8.300 nan 0.000 0.470 40 E N 0.146 120.388 120.200 0.070 0.000 2.351 40 E HA 0.389 2.931 4.350 -3.014 0.000 0.255 40 E C -0.341 176.307 176.600 0.080 0.000 1.188 40 E CA -0.830 55.609 56.400 0.066 0.000 0.940 40 E CB 0.842 30.590 29.700 0.080 0.000 1.094 40 E HN 0.583 nan 8.360 nan 0.000 0.474 41 T N -1.743 112.847 114.554 0.061 0.000 2.828 41 T HA 0.064 2.606 4.350 -3.014 0.000 0.290 41 T C 0.942 175.675 174.700 0.054 0.000 1.019 41 T CA -0.327 61.800 62.100 0.045 0.000 1.031 41 T CB 1.081 69.969 68.868 0.032 0.000 1.001 41 T HN 0.609 nan 8.240 nan 0.000 0.531 42 E N 0.058 120.280 120.200 0.036 0.000 2.118 42 E HA -0.237 2.305 4.350 -3.014 0.000 0.195 42 E C 2.151 178.780 176.600 0.049 0.000 0.992 42 E CA 1.278 57.702 56.400 0.041 0.000 0.804 42 E CB -0.092 29.620 29.700 0.020 0.000 0.741 42 E HN 0.721 nan 8.360 nan 0.000 0.458 43 Q N 1.078 120.902 119.800 0.039 0.000 2.084 43 Q HA -0.191 2.341 4.340 -3.014 0.000 0.202 43 Q C 1.556 177.585 176.000 0.049 0.000 0.978 43 Q CA 1.676 57.501 55.803 0.038 0.000 0.844 43 Q CB 0.044 28.797 28.738 0.026 0.000 0.898 43 Q HN 0.290 nan 8.270 nan 0.000 0.426 44 E N -1.165 119.070 120.200 0.059 0.000 2.077 44 E HA -0.149 2.392 4.350 -3.014 0.000 0.193 44 E C 1.902 178.564 176.600 0.103 0.000 0.989 44 E CA 1.566 58.009 56.400 0.072 0.000 0.800 44 E CB -0.053 29.692 29.700 0.075 0.000 0.746 44 E HN 0.376 nan 8.360 nan 0.000 0.452 45 T N 0.944 115.578 114.554 0.134 0.000 2.746 45 T HA -0.163 2.378 4.350 -3.014 0.000 0.267 45 T C 2.040 176.814 174.700 0.123 0.000 1.039 45 T CA 1.192 63.401 62.100 0.181 0.000 1.142 45 T CB -0.281 68.705 68.868 0.195 0.000 0.866 45 T HN 0.260 nan 8.240 nan 0.000 0.444 46 A N 2.397 125.269 122.820 0.086 0.000 1.917 46 A HA -0.213 2.299 4.320 -3.014 0.000 0.219 46 A C 2.245 179.860 177.584 0.051 0.000 1.182 46 A CA 1.776 53.850 52.037 0.062 0.000 0.633 46 A CB -0.688 18.339 19.000 0.046 0.000 0.819 46 A HN 0.387 nan 8.150 nan 0.000 0.448 47 N N -0.394 118.335 118.700 0.048 0.000 2.142 47 N HA -0.097 2.835 4.740 -3.014 0.000 0.186 47 N C 1.838 177.360 175.510 0.020 0.000 1.023 47 N CA 1.313 54.385 53.050 0.036 0.000 0.852 47 N CB -0.405 38.102 38.487 0.034 0.000 0.998 47 N HN 0.548 nan 8.380 nan 0.000 0.424 48 R N 0.172 120.675 120.500 0.005 0.000 2.081 48 R HA 0.003 2.534 4.340 -3.014 0.000 0.235 48 R C 2.069 178.327 176.300 -0.070 0.000 1.131 48 R CA 0.855 56.904 56.100 -0.085 0.000 0.960 48 R CB -0.474 29.735 30.300 -0.152 0.000 0.856 48 R HN 0.034 nan 8.270 nan 0.000 0.436 49 V N 1.175 121.100 119.914 0.019 0.000 2.343 49 V HA -0.283 2.028 4.120 -3.014 0.000 0.247 49 V C 2.412 178.514 176.094 0.014 0.000 1.051 49 V CA 2.023 64.348 62.300 0.041 0.000 1.036 49 V CB -0.501 31.366 31.823 0.073 0.000 0.654 49 V HN 0.303 nan 8.190 nan 0.000 0.451 50 Q N 0.292 120.104 119.800 0.020 0.000 2.050 50 Q HA -0.167 2.364 4.340 -3.014 0.000 0.202 50 Q C 2.056 178.069 176.000 0.021 0.000 0.980 50 Q CA 2.385 58.204 55.803 0.026 0.000 0.840 50 Q CB -0.599 28.162 28.738 0.039 0.000 0.898 50 Q HN 0.424 nan 8.270 nan 0.000 0.424 51 V N 0.625 120.548 119.914 0.016 0.000 2.392 51 V HA -0.255 2.057 4.120 -3.014 0.000 0.249 51 V C 2.297 178.324 176.094 -0.113 0.000 1.059 51 V CA 1.710 64.001 62.300 -0.016 0.000 1.051 51 V CB -0.567 31.257 31.823 0.003 0.000 0.658 51 V HN 0.384 nan 8.190 nan 0.000 0.455 52 L N -0.743 120.424 121.223 -0.093 0.000 2.141 52 L HA -0.148 2.383 4.340 -3.014 0.000 0.209 52 L C 2.572 179.408 176.870 -0.056 0.000 1.094 52 L CA 1.472 56.259 54.840 -0.090 0.000 0.763 52 L CB -0.543 41.474 42.059 -0.071 0.000 0.908 52 L HN 0.265 nan 8.230 nan 0.000 0.437 53 K N 0.265 120.646 120.400 -0.032 0.000 2.063 53 K HA -0.162 2.349 4.320 -3.014 0.000 0.208 53 K C 2.069 178.657 176.600 -0.021 0.000 1.048 53 K CA 1.401 57.678 56.287 -0.017 0.000 0.928 53 K CB -0.213 32.288 32.500 0.001 0.000 0.713 53 K HN 0.263 nan 8.250 nan 0.000 0.442 54 I N 1.187 121.738 120.570 -0.032 0.000 2.226 54 I HA -0.283 2.079 4.170 -3.014 0.000 0.245 54 I C 2.206 178.274 176.117 -0.082 0.000 1.100 54 I CA 1.119 62.396 61.300 -0.037 0.000 1.374 54 I CB -0.246 37.747 38.000 -0.012 0.000 1.057 54 I HN 0.127 nan 8.210 nan 0.000 0.413 55 L N 0.142 121.282 121.223 -0.138 0.000 2.083 55 L HA -0.252 2.280 4.340 -3.014 0.000 0.209 55 L C 2.674 179.570 176.870 0.043 0.000 1.083 55 L CA 1.230 56.030 54.840 -0.067 0.000 0.752 55 L CB -0.563 41.441 42.059 -0.091 0.000 0.899 55 L HN 0.299 nan 8.230 nan 0.000 0.433 56 Q N 0.719 120.523 119.800 0.006 0.000 2.050 56 Q HA -0.263 2.268 4.340 -3.014 0.000 0.202 56 Q C 1.948 177.975 176.000 0.045 0.000 0.980 56 Q CA 1.986 57.798 55.803 0.015 0.000 0.840 56 Q CB -0.138 28.587 28.738 -0.022 0.000 0.898 56 Q HN 0.365 nan 8.270 nan 0.000 0.424 57 E N -0.232 119.988 120.200 0.033 0.000 2.085 57 E HA -0.161 2.380 4.350 -3.014 0.000 0.194 57 E C 1.828 178.483 176.600 0.092 0.000 0.994 57 E CA 1.635 58.062 56.400 0.045 0.000 0.801 57 E CB -0.387 29.330 29.700 0.027 0.000 0.743 57 E HN 0.514 nan 8.360 nan 0.000 0.453 58 L N -0.356 120.939 121.223 0.119 0.000 2.156 58 L HA -0.046 2.485 4.340 -3.014 0.000 0.208 58 L C 2.505 179.610 176.870 0.392 0.000 1.095 58 L CA 0.825 55.784 54.840 0.199 0.000 0.770 58 L CB -0.566 41.561 42.059 0.114 0.000 0.914 58 L HN 0.226 nan 8.230 nan 0.000 0.439 59 A N -0.474 122.561 122.820 0.359 0.000 1.902 59 A HA -0.272 2.240 4.320 -3.014 0.000 0.217 59 A C 2.273 180.011 177.584 0.256 0.000 1.181 59 A CA 1.676 53.911 52.037 0.331 0.000 0.623 59 A CB -0.516 18.568 19.000 0.141 0.000 0.818 59 A HN 0.439 nan 8.150 nan 0.000 0.443 60 Q N -0.799 119.099 119.800 0.162 0.000 2.050 60 Q HA -0.222 2.310 4.340 -3.014 0.000 0.202 60 Q C 2.399 178.503 176.000 0.174 0.000 0.980 60 Q CA 1.796 57.671 55.803 0.120 0.000 0.840 60 Q CB -0.149 28.633 28.738 0.073 0.000 0.898 60 Q HN 0.681 nan 8.270 nan 0.000 0.424 61 R N -0.372 120.243 120.500 0.192 0.000 2.091 61 R HA -0.195 2.337 4.340 -3.014 0.000 0.238 61 R C 2.204 178.700 176.300 0.326 0.000 1.136 61 R CA 1.646 57.874 56.100 0.214 0.000 0.959 61 R CB -0.467 29.931 30.300 0.163 0.000 0.856 61 R HN 0.296 nan 8.270 nan 0.000 0.437 62 F N 0.709 120.783 119.950 0.207 0.000 2.046 62 F HA -0.177 2.541 4.527 -3.015 0.000 0.297 62 F C 1.823 177.718 175.800 0.158 0.000 1.123 62 F CA 1.626 59.758 58.000 0.219 0.000 1.199 62 F CB -0.894 38.307 39.000 0.336 0.000 0.972 62 F HN -0.167 nan 8.300 nan 0.000 0.474 63 V N -0.021 119.745 119.914 -0.247 0.000 2.407 63 V HA -0.315 1.997 4.120 -3.014 0.000 0.248 63 V C 2.223 178.273 176.094 -0.074 0.000 1.055 63 V CA 2.172 64.248 62.300 -0.374 0.000 1.049 63 V CB -1.292 30.372 31.823 -0.265 0.000 0.662 63 V HN 0.595 nan 8.190 nan 0.000 0.455 64 Y N 1.150 121.433 120.300 -0.028 0.000 2.145 64 Y HA -0.238 2.503 4.550 -3.014 0.000 0.286 64 Y C 2.578 178.500 175.900 0.037 0.000 1.145 64 Y CA 2.191 60.303 58.100 0.021 0.000 1.148 64 Y CB -0.103 38.380 38.460 0.038 0.000 0.981 64 Y HN 0.325 nan 8.280 nan 0.000 0.507 65 E N -0.771 119.548 120.200 0.198 0.000 2.077 65 E HA -0.188 2.353 4.350 -3.014 0.000 0.193 65 E C 2.238 178.861 176.600 0.040 0.000 0.989 65 E CA 1.570 58.056 56.400 0.144 0.000 0.800 65 E CB -0.238 29.597 29.700 0.225 0.000 0.746 65 E HN 0.339 nan 8.360 nan 0.000 0.452 66 V N 1.011 120.944 119.914 0.030 0.000 2.343 66 V HA -0.249 2.062 4.120 -3.014 0.000 0.247 66 V C 2.274 178.372 176.094 0.006 0.000 1.051 66 V CA 1.806 64.116 62.300 0.015 0.000 1.036 66 V CB -0.391 31.390 31.823 -0.070 0.000 0.654 66 V HN 0.197 nan 8.190 nan 0.000 0.451 67 S N -0.427 115.257 115.700 -0.026 0.000 2.356 67 S HA -0.187 2.475 4.470 -3.014 0.000 0.223 67 S C 2.060 176.569 174.600 -0.152 0.000 1.032 67 S CA 1.208 59.386 58.200 -0.037 0.000 1.005 67 S CB -0.284 62.884 63.200 -0.053 0.000 0.867 67 S HN 0.450 nan 8.310 nan 0.000 0.449 68 K N 1.569 121.820 120.400 -0.247 0.000 2.097 68 K HA 0.014 2.526 4.320 -3.014 0.000 0.206 68 K C 1.868 178.417 176.600 -0.085 0.000 1.049 68 K CA 1.080 57.242 56.287 -0.207 0.000 0.933 68 K CB -0.341 32.014 32.500 -0.242 0.000 0.717 68 K HN 0.356 nan 8.250 nan 0.000 0.442 69 K N 0.734 121.110 120.400 -0.041 0.000 2.280 69 K HA -0.065 2.447 4.320 -3.014 0.000 0.202 69 K C 1.283 177.880 176.600 -0.006 0.000 1.047 69 K CA 0.817 57.103 56.287 -0.002 0.000 0.942 69 K CB 0.146 32.664 32.500 0.030 0.000 0.739 69 K HN -0.065 nan 8.250 nan 0.000 0.457 70 K N 0.562 120.951 120.400 -0.019 0.000 2.437 70 K HA 0.077 2.589 4.320 -3.014 0.000 0.198 70 K C -0.322 176.246 176.600 -0.054 0.000 1.024 70 K CA 0.200 56.472 56.287 -0.025 0.000 1.148 70 K CB -0.084 32.403 32.500 -0.021 0.000 0.860 70 K HN 0.223 nan 8.250 nan 0.000 0.515 71 N N 0.023 118.689 118.700 -0.057 0.000 2.829 71 N HA -0.158 2.773 4.740 -3.014 0.000 0.250 71 N C -0.584 174.878 175.510 -0.080 0.000 1.090 71 N CA 0.395 53.410 53.050 -0.059 0.000 0.781 71 N CB -1.337 37.126 38.487 -0.039 0.000 1.124 71 N HN 0.216 nan 8.380 nan 0.000 0.559 72 M N 0.791 120.322 119.600 -0.116 0.000 2.241 72 M HA 0.186 2.857 4.480 -3.014 0.000 0.335 72 M C 1.095 177.328 176.300 -0.112 0.000 1.122 72 M CA -0.193 55.028 55.300 -0.132 0.000 1.164 72 M CB 0.633 33.121 32.600 -0.187 0.000 1.459 72 M HN 0.234 nan 8.290 nan 0.000 0.461 73 S N 0.394 116.045 115.700 -0.082 0.000 2.584 73 S HA 0.036 2.698 4.470 -3.014 0.000 0.270 73 S C 0.406 174.977 174.600 -0.049 0.000 1.346 73 S CA -0.647 57.524 58.200 -0.048 0.000 1.018 73 S CB 0.599 63.783 63.200 -0.027 0.000 0.899 73 S HN 0.670 nan 8.310 nan 0.000 0.542 74 D N 2.317 122.723 120.400 0.010 0.000 2.133 74 D HA -0.079 2.753 4.640 -3.014 0.000 0.192 74 D C 2.132 178.508 176.300 0.126 0.000 1.001 74 D CA 1.968 56.035 54.000 0.110 0.000 0.844 74 D CB -1.138 39.759 40.800 0.163 0.000 0.944 74 D HN 0.775 nan 8.370 nan 0.000 0.447 75 G N 0.291 109.131 108.800 0.068 0.000 2.446 75 G HA2 -0.260 1.891 3.960 -3.014 0.000 0.217 75 G HA3 -0.260 1.891 3.960 -3.014 0.000 0.217 75 G C 1.653 176.577 174.900 0.040 0.000 1.168 75 G CA 0.720 45.855 45.100 0.058 0.000 0.771 75 G HN 0.214 nan 8.290 nan 0.000 0.551 76 M N 0.618 120.217 119.600 -0.002 0.000 2.229 76 M HA 0.065 2.736 4.480 -3.014 0.000 0.264 76 M C 2.994 179.276 176.300 -0.030 0.000 1.063 76 M CA 1.126 56.409 55.300 -0.028 0.000 1.114 76 M CB -0.085 32.473 32.600 -0.070 0.000 1.387 76 M HN 0.338 nan 8.290 nan 0.000 0.420 77 A N 0.492 123.273 122.820 -0.064 0.000 1.930 77 A HA -0.129 2.382 4.320 -3.014 0.000 0.217 77 A C 2.128 179.781 177.584 0.115 0.000 1.175 77 A CA 1.336 53.289 52.037 -0.140 0.000 0.627 77 A CB -0.481 18.162 19.000 -0.595 0.000 0.815 77 A HN 0.407 nan 8.150 nan 0.000 0.443 78 R N -0.444 120.207 120.500 0.251 0.000 2.066 78 R HA -0.107 2.425 4.340 -3.014 0.000 0.232 78 R C 1.656 178.032 176.300 0.126 0.000 1.131 78 R CA 1.370 57.619 56.100 0.249 0.000 0.955 78 R CB -0.424 29.986 30.300 0.183 0.000 0.851 78 R HN 0.410 nan 8.270 nan 0.000 0.432 79 D N 0.695 121.144 120.400 0.082 0.000 2.149 79 D HA -0.141 2.691 4.640 -3.014 0.000 0.198 79 D C 1.777 178.110 176.300 0.056 0.000 0.990 79 D CA 1.419 55.450 54.000 0.053 0.000 0.839 79 D CB -0.206 40.613 40.800 0.031 0.000 0.948 79 D HN 0.239 nan 8.370 nan 0.000 0.460 80 A N 0.226 123.089 122.820 0.072 0.000 1.997 80 A HA 0.030 2.541 4.320 -3.014 0.000 0.221 80 A C 1.738 179.353 177.584 0.050 0.000 1.172 80 A CA 2.430 54.526 52.037 0.099 0.000 0.645 80 A CB -0.767 18.336 19.000 0.171 0.000 0.813 80 A HN 0.433 nan 8.150 nan 0.000 0.454 81 G N -1.836 106.997 108.800 0.055 0.000 2.536 81 G HA2 0.328 2.479 3.960 -3.014 0.000 0.277 81 G HA3 0.328 2.479 3.960 -3.014 0.000 0.277 81 G C 1.142 176.050 174.900 0.012 0.000 1.155 81 G CA 0.642 45.763 45.100 0.035 0.000 0.960 81 G HN 2.694 nan 8.290 nan 0.000 0.544 82 G N -0.985 107.813 108.800 -0.004 0.000 2.931 82 G HA2 0.543 2.695 3.960 -3.014 0.000 0.675 82 G HA3 0.543 2.695 3.960 -3.014 0.000 0.675 82 G C -0.889 174.011 174.900 0.001 0.000 1.339 82 G CA 0.628 45.718 45.100 -0.016 0.000 0.866 82 G HN 1.589 nan 8.290 nan 0.000 0.616 83 K N 1.293 121.698 120.400 0.009 0.000 2.543 83 K HA 0.692 3.203 4.320 -3.014 0.000 0.255 83 K C -0.023 176.555 176.600 -0.037 0.000 0.934 83 K CA -1.144 55.111 56.287 -0.054 0.000 0.810 83 K CB 1.768 34.203 32.500 -0.108 0.000 1.315 83 K HN 1.206 nan 8.250 nan 0.000 0.433 84 I N 0.114 120.607 120.570 -0.128 0.000 2.498 84 I HA 0.642 3.003 4.170 -3.014 0.000 0.301 84 I C -1.332 174.656 176.117 -0.215 0.000 0.984 84 I CA -0.582 60.694 61.300 -0.040 0.000 1.204 84 I CB 0.881 38.878 38.000 -0.006 0.000 1.362 84 I HN 0.385 nan 8.210 nan 0.000 0.471 85 F N 1.619 121.595 119.950 0.044 0.000 2.588 85 F HA 0.651 3.367 4.527 -3.018 0.000 0.314 85 F C 0.318 176.197 175.800 0.133 0.000 1.069 85 F CA -0.578 57.469 58.000 0.079 0.000 0.931 85 F CB 2.398 41.440 39.000 0.070 0.000 1.260 85 F HN 0.669 nan 8.300 nan 0.000 0.465 86 T N -0.841 113.919 114.554 0.344 0.000 2.945 86 T HA 0.794 3.336 4.350 -3.014 0.000 0.286 86 T C -1.028 173.891 174.700 0.365 0.000 1.025 86 T CA -0.525 61.751 62.100 0.293 0.000 1.039 86 T CB 1.821 70.859 68.868 0.283 0.000 1.068 86 T HN 0.656 nan 8.240 nan 0.000 0.497 87 Y N -1.105 119.283 120.300 0.147 0.000 2.818 87 Y HA 0.772 3.508 4.550 -3.024 0.000 0.322 87 Y C 0.700 176.672 175.900 0.121 0.000 1.323 87 Y CA -0.706 57.461 58.100 0.113 0.000 1.090 87 Y CB 0.417 38.919 38.460 0.071 0.000 1.328 87 Y HN 1.243 nan 8.280 nan 0.000 0.482 88 G N 0.729 109.665 108.800 0.226 0.000 2.569 88 G HA2 -0.307 1.845 3.960 -3.014 0.000 0.259 88 G HA3 -0.307 1.845 3.960 -3.014 0.000 0.259 88 G C 0.680 175.649 174.900 0.114 0.000 1.263 88 G CA 0.317 45.495 45.100 0.130 0.000 0.928 88 G HN 1.042 nan 8.290 nan 0.000 0.572 89 S N -0.928 114.834 115.700 0.104 0.000 2.370 89 S HA -0.139 2.523 4.470 -3.014 0.000 0.226 89 S C 1.853 176.546 174.600 0.156 0.000 1.033 89 S CA 2.330 60.610 58.200 0.133 0.000 1.011 89 S CB -0.435 62.844 63.200 0.131 0.000 0.852 89 S HN 0.676 nan 8.310 nan 0.000 0.457 90 Y N 2.616 122.911 120.300 -0.008 0.000 2.128 90 Y HA -0.204 2.543 4.550 -3.005 0.000 0.284 90 Y C 2.533 178.410 175.900 -0.039 0.000 1.154 90 Y CA 2.041 60.050 58.100 -0.152 0.000 1.149 90 Y CB -0.389 37.903 38.460 -0.280 0.000 0.976 90 Y HN 0.040 nan 8.280 nan 0.000 0.505 91 R N 0.619 121.100 120.500 -0.031 0.000 2.096 91 R HA -0.119 2.412 4.340 -3.014 0.000 0.235 91 R C 1.994 178.283 176.300 -0.019 0.000 1.127 91 R CA 1.903 57.980 56.100 -0.039 0.000 0.968 91 R CB -0.905 29.469 30.300 0.122 0.000 0.861 91 R HN 0.538 nan 8.270 nan 0.000 0.440 92 L N -0.742 120.519 121.223 0.063 0.000 2.465 92 L HA 0.141 2.672 4.340 -3.014 0.000 0.224 92 L C 1.219 178.149 176.870 0.100 0.000 1.145 92 L CA 0.740 55.662 54.840 0.138 0.000 0.834 92 L CB -0.351 41.838 42.059 0.217 0.000 0.944 92 L HN 0.611 nan 8.230 nan 0.000 0.451 93 G N 0.370 109.196 108.800 0.042 0.000 2.176 93 G HA2 -0.260 1.892 3.960 -3.014 0.000 0.252 93 G HA3 -0.260 1.892 3.960 -3.014 0.000 0.252 93 G C 0.608 175.547 174.900 0.065 0.000 1.024 93 G CA 0.389 45.541 45.100 0.087 0.000 0.755 93 G HN 0.374 nan 8.290 nan 0.000 0.507 94 V N -1.681 118.271 119.914 0.064 0.000 3.214 94 V HA 0.413 2.724 4.120 -3.014 0.000 0.330 94 V C 1.123 177.158 176.094 -0.099 0.000 1.403 94 V CA 0.087 62.334 62.300 -0.089 0.000 1.143 94 V CB -0.703 31.046 31.823 -0.123 0.000 1.098 94 V HN 0.762 nan 8.190 nan 0.000 0.463 95 H N 0.447 119.487 119.070 -0.050 0.000 2.671 95 H HA 0.729 3.472 4.556 -3.021 0.000 0.372 95 H C 0.185 175.474 175.328 -0.064 0.000 1.227 95 H CA 0.111 56.149 56.048 -0.018 0.000 1.426 95 H CB 1.427 31.250 29.762 0.102 0.000 1.480 95 H HN 0.356 nan 8.280 nan 0.000 0.611 96 G N -0.139 108.619 108.800 -0.070 0.000 2.816 96 G HA2 0.357 2.509 3.960 -3.014 0.000 0.288 96 G HA3 0.357 2.509 3.960 -3.014 0.000 0.288 96 G C -2.069 172.823 174.900 -0.012 0.000 1.334 96 G CA -1.727 43.287 45.100 -0.145 0.000 0.978 96 G HN 0.360 nan 8.290 nan 0.000 0.493 97 P HA -0.091 nan 4.420 nan 0.000 0.216 97 P C 1.931 179.240 177.300 0.016 0.000 1.153 97 P CA 1.916 65.024 63.100 0.013 0.000 0.858 97 P CB 0.092 31.787 31.700 -0.008 0.000 0.789 98 G N -1.246 107.545 108.800 -0.014 0.000 2.598 98 G HA2 -0.086 2.065 3.960 -3.014 0.000 0.215 98 G HA3 -0.086 2.065 3.960 -3.014 0.000 0.215 98 G C 0.569 175.468 174.900 -0.002 0.000 1.131 98 G CA 0.090 45.181 45.100 -0.015 0.000 0.785 98 G HN 0.236 nan 8.290 nan 0.000 0.539 99 S N 1.171 116.887 115.700 0.026 0.000 2.564 99 S HA 0.227 2.889 4.470 -3.014 0.000 0.278 99 S C -0.216 174.391 174.600 0.011 0.000 1.333 99 S CA -0.474 57.746 58.200 0.034 0.000 1.048 99 S CB 0.898 64.168 63.200 0.116 0.000 0.900 99 S HN 0.250 nan 8.310 nan 0.000 0.505 100 D N 1.515 121.908 120.400 -0.010 0.000 2.362 100 D HA 0.245 3.077 4.640 -3.014 0.000 0.242 100 D C 0.091 176.343 176.300 -0.079 0.000 1.132 100 D CA 0.036 54.011 54.000 -0.042 0.000 0.907 100 D CB 0.456 41.234 40.800 -0.036 0.000 1.195 100 D HN 0.326 nan 8.370 nan 0.000 0.429 101 I N 1.716 122.200 120.570 -0.143 0.000 2.307 101 I HA 0.096 2.458 4.170 -3.014 0.000 0.289 101 I C -0.149 175.857 176.117 -0.185 0.000 1.021 101 I CA -0.775 60.398 61.300 -0.212 0.000 1.224 101 I CB 0.851 38.617 38.000 -0.391 0.000 1.376 101 I HN -0.036 nan 8.210 nan 0.000 0.470 102 D N 5.627 125.868 120.400 -0.264 0.000 2.339 102 D HA 0.227 3.059 4.640 -3.014 0.000 0.256 102 D C -0.135 175.927 176.300 -0.396 0.000 1.214 102 D CA 0.401 54.104 54.000 -0.495 0.000 0.877 102 D CB 1.230 41.368 40.800 -1.104 0.000 1.111 102 D HN 0.413 nan 8.370 nan 0.000 0.478 103 T N 2.333 116.831 114.554 -0.093 0.000 2.881 103 T HA 0.421 2.963 4.350 -3.014 0.000 0.290 103 T C -0.581 174.256 174.700 0.229 0.000 1.000 103 T CA -0.667 61.488 62.100 0.091 0.000 0.978 103 T CB 1.549 70.437 68.868 0.033 0.000 0.997 103 T HN 0.123 nan 8.240 nan 0.000 0.443 104 L N 4.275 125.665 121.223 0.280 0.000 2.322 104 L HA 0.774 3.306 4.340 -3.014 0.000 0.281 104 L C -1.119 175.817 176.870 0.110 0.000 1.014 104 L CA -0.575 54.368 54.840 0.172 0.000 0.815 104 L CB 1.447 43.589 42.059 0.137 0.000 1.247 104 L HN 0.460 nan 8.230 nan 0.000 0.421 105 V N 5.856 125.736 119.914 -0.057 0.000 2.347 105 V HA 0.488 2.799 4.120 -3.014 0.000 0.280 105 V C -0.249 175.786 176.094 -0.098 0.000 1.021 105 V CA -0.682 61.562 62.300 -0.093 0.000 0.847 105 V CB 1.435 33.084 31.823 -0.291 0.000 0.990 105 V HN 0.543 nan 8.190 nan 0.000 0.444 106 V N 6.165 126.093 119.914 0.024 0.000 2.398 106 V HA 0.649 2.961 4.120 -3.014 0.000 0.286 106 V C -0.043 176.030 176.094 -0.035 0.000 1.026 106 V CA -0.481 61.818 62.300 -0.001 0.000 0.868 106 V CB 1.743 33.631 31.823 0.108 0.000 0.982 106 V HN 0.771 nan 8.190 nan 0.000 0.443 107 V N 3.696 123.549 119.914 -0.102 0.000 2.962 107 V HA 0.791 3.102 4.120 -3.014 0.000 0.313 107 V C -2.654 173.335 176.094 -0.175 0.000 1.099 107 V CA -2.483 59.713 62.300 -0.173 0.000 0.971 107 V CB 2.292 33.962 31.823 -0.255 0.000 1.028 107 V HN 0.640 nan 8.190 nan 0.000 0.430 108 P HA 0.201 nan 4.420 nan 0.000 0.274 108 P C 0.410 177.573 177.300 -0.228 0.000 1.260 108 P CA -0.306 62.689 63.100 -0.176 0.000 0.793 108 P CB 0.758 32.385 31.700 -0.121 0.000 1.048 109 K N 0.636 120.994 120.400 -0.070 0.000 2.209 109 K HA -0.196 2.316 4.320 -3.014 0.000 0.204 109 K C 1.499 178.082 176.600 -0.028 0.000 1.048 109 K CA 1.948 58.216 56.287 -0.032 0.000 0.940 109 K CB -1.148 31.367 32.500 0.025 0.000 0.729 109 K HN 0.575 nan 8.250 nan 0.000 0.451 110 H N -0.788 118.252 119.070 -0.050 0.000 2.547 110 H HA 0.260 3.008 4.556 -3.013 0.000 0.266 110 H C -0.350 174.948 175.328 -0.049 0.000 0.988 110 H CA -0.432 55.590 56.048 -0.045 0.000 1.147 110 H CB 0.181 29.913 29.762 -0.051 0.000 1.365 110 H HN -0.085 nan 8.280 nan 0.000 0.589 111 V N 2.943 122.651 119.914 -0.344 0.000 2.328 111 V HA 0.203 2.514 4.120 -3.014 0.000 0.278 111 V C 0.578 176.624 176.094 -0.081 0.000 1.021 111 V CA -0.384 61.759 62.300 -0.261 0.000 0.838 111 V CB 1.044 32.580 31.823 -0.479 0.000 0.999 111 V HN 0.664 nan 8.190 nan 0.000 0.447 112 T N 2.016 116.590 114.554 0.034 0.000 2.881 112 T HA 0.361 2.903 4.350 -3.014 0.000 0.278 112 T C 1.061 175.865 174.700 0.175 0.000 0.982 112 T CA -0.482 61.668 62.100 0.084 0.000 0.989 112 T CB 1.425 70.351 68.868 0.096 0.000 1.058 112 T HN 0.491 nan 8.240 nan 0.000 0.529 113 R N 0.032 120.636 120.500 0.175 0.000 2.115 113 R HA -0.064 2.468 4.340 -3.014 0.000 0.230 113 R C 2.363 178.928 176.300 0.441 0.000 1.111 113 R CA 1.593 57.870 56.100 0.294 0.000 0.976 113 R CB -0.346 30.112 30.300 0.263 0.000 0.870 113 R HN 0.911 nan 8.270 nan 0.000 0.445 114 E N 0.189 120.572 120.200 0.306 0.000 2.085 114 E HA -0.230 2.311 4.350 -3.014 0.000 0.194 114 E C 0.953 177.735 176.600 0.304 0.000 0.994 114 E CA 1.680 58.252 56.400 0.287 0.000 0.801 114 E CB -0.004 29.801 29.700 0.174 0.000 0.743 114 E HN 0.386 nan 8.360 nan 0.000 0.453 115 D N -0.020 120.561 120.400 0.303 0.000 2.117 115 D HA -0.171 2.661 4.640 -3.014 0.000 0.197 115 D C 1.680 178.244 176.300 0.440 0.000 0.987 115 D CA 0.762 54.988 54.000 0.377 0.000 0.829 115 D CB -0.425 40.606 40.800 0.385 0.000 0.961 115 D HN 0.219 nan 8.370 nan 0.000 0.460 116 F N 0.823 120.895 119.950 0.204 0.000 2.102 116 F HA -0.165 2.554 4.527 -3.013 0.000 0.298 116 F C 1.858 177.482 175.800 -0.294 0.000 1.105 116 F CA 1.193 59.052 58.000 -0.235 0.000 1.239 116 F CB -0.615 38.214 39.000 -0.286 0.000 0.991 116 F HN -0.162 nan 8.300 nan 0.000 0.474 117 F N 0.107 120.056 119.950 -0.002 0.000 2.699 117 F HA -0.028 2.690 4.527 -3.014 0.000 0.298 117 F C 2.185 177.933 175.800 -0.087 0.000 1.154 117 F CA 1.124 59.050 58.000 -0.125 0.000 1.457 117 F CB -0.612 38.388 39.000 -0.000 0.000 1.106 117 F HN 0.137 nan 8.300 nan 0.000 0.585 118 T N -5.031 109.574 114.554 0.085 0.000 3.238 118 T HA 0.075 2.616 4.350 -3.014 0.000 0.242 118 T C 1.782 176.497 174.700 0.025 0.000 0.980 118 T CA 0.634 62.775 62.100 0.068 0.000 1.235 118 T CB -0.777 68.159 68.868 0.113 0.000 1.069 118 T HN -0.084 nan 8.240 nan 0.000 0.407 119 V N 1.191 121.163 119.914 0.097 0.000 2.270 119 V HA 0.049 2.360 4.120 -3.014 0.000 0.245 119 V C 2.289 178.382 176.094 -0.002 0.000 1.043 119 V CA 1.854 64.239 62.300 0.142 0.000 1.014 119 V CB -0.933 31.115 31.823 0.376 0.000 0.645 119 V HN 0.432 nan 8.190 nan 0.000 0.447 120 F N 1.405 121.044 119.950 -0.518 0.000 2.146 120 F HA -0.163 2.555 4.527 -3.014 0.000 0.298 120 F C 2.388 177.901 175.800 -0.478 0.000 1.096 120 F CA 1.976 59.524 58.000 -0.754 0.000 1.275 120 F CB -0.502 37.603 39.000 -1.491 0.000 1.008 120 F HN 0.266 nan 8.300 nan 0.000 0.480 121 D N -0.343 119.776 120.400 -0.468 0.000 2.116 121 D HA -0.204 2.628 4.640 -3.014 0.000 0.193 121 D C 2.054 178.185 176.300 -0.280 0.000 0.998 121 D CA 1.887 55.648 54.000 -0.399 0.000 0.836 121 D CB -0.089 40.562 40.800 -0.249 0.000 0.951 121 D HN 0.357 nan 8.370 nan 0.000 0.449 122 S N 0.150 115.744 115.700 -0.176 0.000 2.382 122 S HA -0.091 2.571 4.470 -3.014 0.000 0.228 122 S C 2.217 176.741 174.600 -0.126 0.000 1.027 122 S CA 0.491 58.626 58.200 -0.108 0.000 0.991 122 S CB -0.217 62.959 63.200 -0.040 0.000 0.823 122 S HN 0.325 nan 8.310 nan 0.000 0.469 123 L N 1.050 122.172 121.223 -0.169 0.000 2.042 123 L HA -0.148 2.383 4.340 -3.014 0.000 0.210 123 L C 2.262 179.014 176.870 -0.197 0.000 1.076 123 L CA 1.126 55.875 54.840 -0.153 0.000 0.749 123 L CB -0.670 41.308 42.059 -0.136 0.000 0.893 123 L HN 0.299 nan 8.230 nan 0.000 0.432 124 L N -0.596 120.413 121.223 -0.356 0.000 2.012 124 L HA -0.230 2.301 4.340 -3.014 0.000 0.210 124 L C 2.790 179.604 176.870 -0.092 0.000 1.073 124 L CA 1.436 56.132 54.840 -0.240 0.000 0.748 124 L CB -0.515 41.318 42.059 -0.375 0.000 0.891 124 L HN 0.208 nan 8.230 nan 0.000 0.431 125 R N -0.043 120.386 120.500 -0.118 0.000 2.148 125 R HA -0.142 2.389 4.340 -3.014 0.000 0.227 125 R C 1.948 178.215 176.300 -0.055 0.000 1.103 125 R CA 0.977 57.033 56.100 -0.073 0.000 0.983 125 R CB -0.220 30.039 30.300 -0.070 0.000 0.874 125 R HN 0.466 nan 8.270 nan 0.000 0.451 126 E N 0.241 120.411 120.200 -0.050 0.000 2.418 126 E HA -0.033 2.508 4.350 -3.014 0.000 0.197 126 E C 0.071 176.654 176.600 -0.029 0.000 1.026 126 E CA 0.277 56.657 56.400 -0.033 0.000 0.862 126 E CB 0.261 29.948 29.700 -0.021 0.000 0.799 126 E HN 0.077 nan 8.360 nan 0.000 0.518 127 R N 1.472 121.958 120.500 -0.023 0.000 2.340 127 R HA 0.044 2.575 4.340 -3.014 0.000 0.300 127 R C 1.167 177.395 176.300 -0.121 0.000 1.069 127 R CA 0.061 56.143 56.100 -0.030 0.000 0.984 127 R CB 0.711 31.062 30.300 0.086 0.000 1.003 127 R HN 0.199 nan 8.270 nan 0.000 0.459 128 K N 1.602 121.928 120.400 -0.123 0.000 2.211 128 K HA -0.170 2.341 4.320 -3.014 0.000 0.204 128 K C 0.445 176.894 176.600 -0.252 0.000 1.047 128 K CA 1.597 57.795 56.287 -0.148 0.000 0.935 128 K CB 0.128 32.566 32.500 -0.104 0.000 0.728 128 K HN 0.393 nan 8.250 nan 0.000 0.452 129 E N 0.874 120.819 120.200 -0.425 0.000 2.358 129 E HA -0.007 2.535 4.350 -3.014 0.000 0.195 129 E C -0.022 176.051 176.600 -0.878 0.000 1.010 129 E CA 0.061 56.039 56.400 -0.702 0.000 0.856 129 E CB 0.029 29.083 29.700 -1.077 0.000 0.795 129 E HN 0.191 nan 8.360 nan 0.000 0.504 130 L N 1.691 122.512 121.223 -0.669 0.000 2.477 130 L HA 0.000 2.532 4.340 -3.014 0.000 0.272 130 L C 0.281 177.032 176.870 -0.199 0.000 1.157 130 L CA 0.516 55.147 54.840 -0.347 0.000 0.889 130 L CB 0.582 42.580 42.059 -0.102 0.000 1.158 130 L HN -0.072 nan 8.230 nan 0.000 0.473 131 D N 3.576 123.896 120.400 -0.133 0.000 2.259 131 D HA 0.091 2.923 4.640 -3.014 0.000 0.216 131 D C -0.108 176.167 176.300 -0.042 0.000 0.961 131 D CA 0.811 54.762 54.000 -0.082 0.000 0.878 131 D CB 0.482 41.243 40.800 -0.065 0.000 1.009 131 D HN 0.634 nan 8.370 nan 0.000 0.490 132 E N -0.283 119.906 120.200 -0.018 0.000 2.392 132 E HA 0.586 3.128 4.350 -3.014 0.000 0.279 132 E C -1.137 175.466 176.600 0.006 0.000 0.964 132 E CA -0.578 55.819 56.400 -0.005 0.000 0.777 132 E CB 3.266 32.968 29.700 0.003 0.000 1.249 132 E HN -0.089 nan 8.360 nan 0.000 0.449 133 I N 0.674 121.246 120.570 0.003 0.000 2.644 133 I HA 0.623 2.985 4.170 -3.014 0.000 0.291 133 I C -1.942 174.184 176.117 0.014 0.000 1.180 133 I CA -0.420 60.882 61.300 0.003 0.000 1.040 133 I CB 1.571 39.559 38.000 -0.020 0.000 1.255 133 I HN 0.653 nan 8.210 nan 0.000 0.422 134 A N 7.908 130.746 122.820 0.029 0.000 2.745 134 A HA 0.724 3.235 4.320 -3.014 0.000 0.301 134 A C -2.930 174.701 177.584 0.078 0.000 1.188 134 A CA -1.251 50.813 52.037 0.044 0.000 0.746 134 A CB 0.430 19.454 19.000 0.040 0.000 1.207 134 A HN 0.376 nan 8.150 nan 0.000 0.432 135 P HA 0.360 nan 4.420 nan 0.000 0.275 135 P C -0.257 177.133 177.300 0.151 0.000 1.227 135 P CA -0.069 63.145 63.100 0.191 0.000 0.781 135 P CB 1.398 33.224 31.700 0.210 0.000 0.906 136 V N 5.285 125.323 119.914 0.207 0.000 2.464 136 V HA 0.149 2.461 4.120 -3.014 0.000 0.255 136 V C -1.637 174.458 176.094 0.002 0.000 0.946 136 V CA -1.018 61.336 62.300 0.089 0.000 0.988 136 V CB 1.206 33.099 31.823 0.116 0.000 1.210 136 V HN 0.502 nan 8.190 nan 0.000 0.523 137 P HA -0.083 nan 4.420 nan 0.000 0.229 137 P C 0.637 177.789 177.300 -0.247 0.000 1.150 137 P CA 1.132 63.790 63.100 -0.737 0.000 0.765 137 P CB 0.379 31.430 31.700 -1.082 0.000 0.783 138 D N -0.263 120.084 120.400 -0.087 0.000 2.262 138 D HA 0.061 2.893 4.640 -3.014 0.000 0.212 138 D C 1.093 177.439 176.300 0.077 0.000 0.964 138 D CA 0.134 54.136 54.000 0.002 0.000 0.875 138 D CB -0.439 40.381 40.800 0.033 0.000 0.996 138 D HN 0.052 nan 8.370 nan 0.000 0.497 139 A N 0.856 123.737 122.820 0.101 0.000 2.653 139 A HA -0.184 2.328 4.320 -3.014 0.000 0.227 139 A C 0.714 178.413 177.584 0.191 0.000 1.066 139 A CA 0.057 52.185 52.037 0.152 0.000 0.771 139 A CB -0.167 18.919 19.000 0.145 0.000 0.980 139 A HN 0.091 nan 8.150 nan 0.000 0.507 140 F N 0.936 120.911 119.950 0.041 0.000 2.546 140 F HA 0.068 2.786 4.527 -3.016 0.000 0.298 140 F C 1.103 176.926 175.800 0.038 0.000 1.120 140 F CA 1.491 59.512 58.000 0.034 0.000 1.456 140 F CB 0.265 39.280 39.000 0.024 0.000 1.088 140 F HN 0.264 nan 8.300 nan 0.000 0.572 141 V N 1.928 121.915 119.914 0.122 0.000 2.349 141 V HA 0.393 2.704 4.120 -3.014 0.000 0.284 141 V C -2.373 173.797 176.094 0.126 0.000 1.014 141 V CA -2.607 59.730 62.300 0.062 0.000 0.826 141 V CB 1.164 33.030 31.823 0.073 0.000 1.009 141 V HN -0.179 nan 8.190 nan 0.000 0.431 142 P HA 0.220 nan 4.420 nan 0.000 0.264 142 P C -0.677 176.891 177.300 0.448 0.000 1.183 142 P CA 0.645 63.935 63.100 0.317 0.000 0.763 142 P CB 0.489 32.427 31.700 0.396 0.000 0.807 143 I N 2.863 123.764 120.570 0.552 0.000 2.913 143 I HA 0.451 2.813 4.170 -3.014 0.000 0.302 143 I C -1.407 174.978 176.117 0.446 0.000 1.246 143 I CA -1.007 60.548 61.300 0.426 0.000 1.010 143 I CB 1.750 39.904 38.000 0.257 0.000 1.259 143 I HN 0.122 nan 8.210 nan 0.000 0.434 144 I N 6.132 126.878 120.570 0.294 0.000 2.410 144 I HA 0.366 2.728 4.170 -3.014 0.000 0.286 144 I C -0.771 175.418 176.117 0.121 0.000 1.009 144 I CA -0.676 60.714 61.300 0.151 0.000 1.111 144 I CB 1.559 39.515 38.000 -0.073 0.000 1.262 144 I HN 0.366 nan 8.210 nan 0.000 0.443 145 K N 7.788 128.246 120.400 0.098 0.000 2.248 145 K HA 0.643 3.155 4.320 -3.014 0.000 0.281 145 K C -0.558 176.069 176.600 0.045 0.000 1.054 145 K CA -0.378 55.950 56.287 0.068 0.000 0.903 145 K CB 1.595 34.131 32.500 0.061 0.000 1.077 145 K HN 0.576 nan 8.250 nan 0.000 0.474 146 I N -1.417 119.177 120.570 0.040 0.000 3.002 146 I HA 0.540 2.902 4.170 -3.014 0.000 0.310 146 I C -1.173 174.976 176.117 0.054 0.000 1.087 146 I CA -1.157 60.170 61.300 0.045 0.000 1.017 146 I CB 2.145 40.178 38.000 0.055 0.000 1.226 146 I HN 0.365 nan 8.210 nan 0.000 0.443 147 K N 2.922 123.360 120.400 0.063 0.000 2.376 147 K HA 0.548 3.060 4.320 -3.014 0.000 0.257 147 K C -2.260 174.409 176.600 0.115 0.000 0.939 147 K CA -0.510 55.816 56.287 0.066 0.000 0.809 147 K CB 1.834 34.348 32.500 0.023 0.000 1.121 147 K HN 0.696 nan 8.250 nan 0.000 0.425 148 F N 2.988 122.910 119.950 -0.047 0.000 2.585 148 F HA 0.178 2.897 4.527 -3.013 0.000 0.319 148 F C -0.333 175.440 175.800 -0.045 0.000 1.165 148 F CA -0.384 57.586 58.000 -0.051 0.000 0.949 148 F CB 1.742 40.707 39.000 -0.058 0.000 1.218 148 F HN 0.746 nan 8.300 nan 0.000 0.453 149 S N 3.736 119.324 115.700 -0.186 0.000 3.549 149 S HA -0.172 2.490 4.470 -3.014 0.000 0.366 149 S C 1.142 175.737 174.600 -0.009 0.000 1.012 149 S CA 1.266 59.417 58.200 -0.080 0.000 1.141 149 S CB -1.794 61.410 63.200 0.007 0.000 0.910 149 S HN 2.078 nan 8.310 nan 0.000 0.471 150 G N -0.766 108.024 108.800 -0.016 0.000 2.205 150 G HA2 -0.287 1.865 3.960 -3.014 0.000 0.261 150 G HA3 -0.287 1.865 3.960 -3.014 0.000 0.261 150 G C -0.003 174.906 174.900 0.015 0.000 0.980 150 G CA 0.269 45.367 45.100 -0.003 0.000 0.632 150 G HN 0.651 nan 8.290 nan 0.000 0.533 151 I N 1.924 122.517 120.570 0.038 0.000 2.353 151 I HA 0.417 2.778 4.170 -3.014 0.000 0.293 151 I C 0.601 176.732 176.117 0.022 0.000 0.992 151 I CA -0.632 60.681 61.300 0.021 0.000 1.268 151 I CB 1.277 39.285 38.000 0.012 0.000 1.387 151 I HN 0.032 nan 8.210 nan 0.000 0.478 152 S N 6.937 122.635 115.700 -0.004 0.000 2.474 152 S HA 0.505 3.167 4.470 -3.014 0.000 0.276 152 S C 0.005 174.586 174.600 -0.032 0.000 1.227 152 S CA -0.396 57.801 58.200 -0.005 0.000 1.050 152 S CB 0.593 63.788 63.200 -0.008 0.000 0.939 152 S HN 0.264 nan 8.310 nan 0.000 0.490 153 I N 3.334 123.893 120.570 -0.017 0.000 2.466 153 I HA 0.369 2.730 4.170 -3.014 0.000 0.289 153 I C -0.693 175.423 176.117 -0.002 0.000 1.026 153 I CA -0.783 60.494 61.300 -0.039 0.000 1.078 153 I CB 1.944 39.913 38.000 -0.051 0.000 1.249 153 I HN 0.421 nan 8.210 nan 0.000 0.429 154 D N 7.343 127.739 120.400 -0.007 0.000 2.392 154 D HA 0.498 3.330 4.640 -3.014 0.000 0.228 154 D C -0.366 175.983 176.300 0.082 0.000 1.074 154 D CA -0.138 53.886 54.000 0.039 0.000 0.838 154 D CB 2.180 42.991 40.800 0.019 0.000 1.067 154 D HN 0.274 nan 8.370 nan 0.000 0.511 155 L N 3.520 124.835 121.223 0.153 0.000 2.305 155 L HA 0.522 3.053 4.340 -3.014 0.000 0.284 155 L C 0.330 177.373 176.870 0.288 0.000 1.013 155 L CA -0.727 54.250 54.840 0.229 0.000 0.819 155 L CB 1.072 43.329 42.059 0.329 0.000 1.227 155 L HN 0.297 nan 8.230 nan 0.000 0.417 156 I N -0.293 120.362 120.570 0.142 0.000 3.023 156 I HA 0.775 3.137 4.170 -3.014 0.000 0.312 156 I C -0.916 174.938 176.117 -0.438 0.000 1.056 156 I CA -0.663 60.606 61.300 -0.051 0.000 1.033 156 I CB 2.263 40.285 38.000 0.037 0.000 1.233 156 I HN 0.591 nan 8.210 nan 0.000 0.462 157 C N 3.143 122.027 119.300 -0.694 0.000 2.609 157 C HA 0.919 3.571 4.460 -3.014 0.000 0.313 157 C C -0.285 174.460 174.990 -0.408 0.000 1.175 157 C CA 0.065 58.607 59.018 -0.794 0.000 1.434 157 C CB 0.803 27.617 27.740 -1.543 0.000 2.005 157 C HN 1.058 nan 8.230 nan 0.000 0.471 158 A N 5.037 127.683 122.820 -0.290 0.000 2.374 158 A HA 0.824 3.336 4.320 -3.014 0.000 0.305 158 A C -0.798 176.690 177.584 -0.161 0.000 1.053 158 A CA -0.551 51.367 52.037 -0.199 0.000 0.726 158 A CB 0.925 19.813 19.000 -0.186 0.000 1.229 158 A HN 0.924 nan 8.150 nan 0.000 0.431 159 R N 3.176 123.598 120.500 -0.130 0.000 2.229 159 R HA 0.576 3.108 4.340 -3.014 0.000 0.332 159 R C -0.970 175.277 176.300 -0.088 0.000 0.989 159 R CA -0.412 55.623 56.100 -0.109 0.000 0.842 159 R CB 0.378 30.626 30.300 -0.086 0.000 1.119 159 R HN 0.762 nan 8.270 nan 0.000 0.456 160 L N 2.491 123.665 121.223 -0.082 0.000 2.456 160 L HA 0.187 2.719 4.340 -3.014 0.000 0.257 160 L C 0.569 177.414 176.870 -0.041 0.000 1.162 160 L CA -0.266 54.539 54.840 -0.059 0.000 0.808 160 L CB 0.918 42.949 42.059 -0.047 0.000 1.136 160 L HN 0.634 nan 8.230 nan 0.000 0.466 161 D N 0.913 121.297 120.400 -0.028 0.000 3.060 161 D HA 0.089 2.920 4.640 -3.014 0.000 0.245 161 D C -0.412 175.885 176.300 -0.004 0.000 1.274 161 D CA -0.106 53.886 54.000 -0.014 0.000 0.864 161 D CB 0.166 40.959 40.800 -0.012 0.000 1.073 161 D HN 0.468 nan 8.370 nan 0.000 0.473 162 Q N -1.113 118.686 119.800 -0.000 0.000 2.416 162 Q HA 0.445 2.977 4.340 -3.014 0.000 0.281 162 Q C -2.598 173.422 176.000 0.033 0.000 1.067 162 Q CA -1.739 54.071 55.803 0.012 0.000 0.809 162 Q CB 2.310 31.052 28.738 0.007 0.000 1.418 162 Q HN -0.197 nan 8.270 nan 0.000 0.411 163 P HA -0.037 nan 4.420 nan 0.000 0.240 163 P C -0.587 176.771 177.300 0.098 0.000 1.190 163 P CA 0.681 63.837 63.100 0.094 0.000 0.781 163 P CB 0.604 32.329 31.700 0.041 0.000 0.931 164 Q N -0.842 118.989 119.800 0.051 0.000 2.397 164 Q HA 0.534 3.066 4.340 -3.014 0.000 0.275 164 Q C -1.285 174.730 176.000 0.025 0.000 1.090 164 Q CA -0.794 55.035 55.803 0.043 0.000 0.809 164 Q CB 3.175 31.934 28.738 0.034 0.000 1.362 164 Q HN -0.309 nan 8.270 nan 0.000 0.431 165 V N 3.350 123.276 119.914 0.020 0.000 2.276 165 V HA 0.358 2.669 4.120 -3.014 0.000 0.268 165 V C -2.243 173.868 176.094 0.029 0.000 1.032 165 V CA -1.475 60.840 62.300 0.026 0.000 0.810 165 V CB 0.775 32.607 31.823 0.015 0.000 1.060 165 V HN 0.646 nan 8.190 nan 0.000 0.446 166 P HA 0.226 nan 4.420 nan 0.000 0.274 166 P C 1.135 178.442 177.300 0.011 0.000 1.237 166 P CA -0.348 62.765 63.100 0.021 0.000 0.793 166 P CB 1.746 33.459 31.700 0.022 0.000 0.977 167 L N 1.153 122.372 121.223 -0.007 0.000 2.191 167 L HA -0.168 2.364 4.340 -3.014 0.000 0.212 167 L C 2.231 179.080 176.870 -0.034 0.000 1.103 167 L CA 2.173 56.992 54.840 -0.036 0.000 0.769 167 L CB -0.641 41.399 42.059 -0.033 0.000 0.908 167 L HN 0.489 nan 8.230 nan 0.000 0.438 168 S N -0.538 115.159 115.700 -0.004 0.000 2.555 168 S HA -0.077 2.585 4.470 -3.014 0.000 0.230 168 S C 0.785 175.410 174.600 0.040 0.000 0.978 168 S CA -0.311 57.895 58.200 0.010 0.000 0.934 168 S CB -0.528 62.680 63.200 0.013 0.000 0.766 168 S HN 0.239 nan 8.310 nan 0.000 0.533 169 L N 4.087 125.350 121.223 0.067 0.000 2.559 169 L HA 0.274 2.806 4.340 -3.014 0.000 0.274 169 L C 0.240 177.253 176.870 0.238 0.000 1.205 169 L CA 0.640 55.562 54.840 0.137 0.000 0.907 169 L CB 0.228 42.393 42.059 0.177 0.000 1.153 169 L HN 0.397 nan 8.230 nan 0.000 0.490 170 T N 2.574 117.232 114.554 0.173 0.000 2.940 170 T HA 0.481 3.023 4.350 -3.014 0.000 0.288 170 T C 0.674 175.413 174.700 0.065 0.000 1.033 170 T CA -0.862 61.351 62.100 0.188 0.000 1.033 170 T CB 1.160 70.095 68.868 0.113 0.000 1.079 170 T HN 0.550 nan 8.240 nan 0.000 0.496 171 L N 1.619 122.821 121.223 -0.035 0.000 2.741 171 L HA 0.162 2.694 4.340 -3.014 0.000 0.237 171 L C 2.238 179.061 176.870 -0.078 0.000 1.178 171 L CA -0.212 54.543 54.840 -0.141 0.000 0.973 171 L CB -0.117 41.731 42.059 -0.352 0.000 1.255 171 L HN 0.913 nan 8.230 nan 0.000 0.498 172 S N -2.309 113.374 115.700 -0.029 0.000 2.461 172 S HA -0.098 2.564 4.470 -3.014 0.000 0.228 172 S C 0.794 175.387 174.600 -0.012 0.000 1.005 172 S CA 0.001 58.191 58.200 -0.017 0.000 0.942 172 S CB -0.275 62.923 63.200 -0.003 0.000 0.776 172 S HN 0.377 nan 8.310 nan 0.000 0.514 173 D N 2.825 123.217 120.400 -0.014 0.000 2.338 173 D HA 0.124 2.956 4.640 -3.014 0.000 0.255 173 D C 1.159 177.451 176.300 -0.013 0.000 1.237 173 D CA -0.253 53.738 54.000 -0.015 0.000 0.883 173 D CB 0.963 41.755 40.800 -0.012 0.000 1.087 173 D HN 0.487 nan 8.370 nan 0.000 0.485 174 K N 2.972 123.364 120.400 -0.012 0.000 2.442 174 K HA -0.132 2.380 4.320 -3.014 0.000 0.198 174 K C 0.765 177.364 176.600 -0.000 0.000 1.042 174 K CA 0.503 56.798 56.287 0.013 0.000 0.958 174 K CB 0.019 32.515 32.500 -0.007 0.000 0.766 174 K HN 0.164 nan 8.250 nan 0.000 0.474 175 N N 1.401 120.086 118.700 -0.024 0.000 2.364 175 N HA -0.081 2.851 4.740 -3.014 0.000 0.183 175 N C 1.563 177.068 175.510 -0.008 0.000 1.022 175 N CA 0.788 53.827 53.050 -0.019 0.000 0.883 175 N CB -0.163 38.309 38.487 -0.024 0.000 0.965 175 N HN 0.282 nan 8.380 nan 0.000 0.438 176 L N 0.312 121.529 121.223 -0.011 0.000 2.353 176 L HA -0.062 2.470 4.340 -3.014 0.000 0.220 176 L C 1.772 178.632 176.870 -0.016 0.000 1.133 176 L CA 0.544 55.373 54.840 -0.019 0.000 0.798 176 L CB -0.211 41.826 42.059 -0.036 0.000 0.922 176 L HN 0.153 nan 8.230 nan 0.000 0.445 177 L N -0.858 120.369 121.223 0.007 0.000 2.492 177 L HA -0.011 2.520 4.340 -3.014 0.000 0.223 177 L C 1.033 177.914 176.870 0.019 0.000 1.132 177 L CA 0.034 54.885 54.840 0.017 0.000 0.850 177 L CB -0.353 41.751 42.059 0.076 0.000 0.966 177 L HN 0.169 nan 8.230 nan 0.000 0.454 178 R N 1.625 122.136 120.500 0.017 0.000 2.570 178 R HA -0.011 2.521 4.340 -3.014 0.000 0.277 178 R C 0.428 176.728 176.300 0.000 0.000 1.039 178 R CA 0.090 56.198 56.100 0.013 0.000 1.065 178 R CB 0.082 30.386 30.300 0.006 0.000 0.964 178 R HN 0.203 nan 8.270 nan 0.000 0.428 179 N N 0.111 118.812 118.700 0.001 0.000 2.878 179 N HA -0.186 2.746 4.740 -3.014 0.000 0.247 179 N C -0.807 174.695 175.510 -0.014 0.000 1.021 179 N CA 1.010 54.057 53.050 -0.005 0.000 0.873 179 N CB -1.103 37.381 38.487 -0.005 0.000 1.128 179 N HN 0.457 nan 8.380 nan 0.000 0.571 180 L N 1.464 122.676 121.223 -0.018 0.000 2.334 180 L HA 0.280 2.812 4.340 -3.014 0.000 0.277 180 L C 0.950 177.798 176.870 -0.036 0.000 1.075 180 L CA -0.830 53.990 54.840 -0.033 0.000 0.804 180 L CB 0.777 42.809 42.059 -0.044 0.000 1.174 180 L HN 0.081 nan 8.230 nan 0.000 0.438 181 D N 0.753 121.128 120.400 -0.042 0.000 2.371 181 D HA -0.015 2.817 4.640 -3.014 0.000 0.242 181 D C 0.761 177.022 176.300 -0.065 0.000 1.218 181 D CA -0.283 53.688 54.000 -0.048 0.000 0.945 181 D CB 0.731 41.504 40.800 -0.045 0.000 1.137 181 D HN 0.535 nan 8.370 nan 0.000 0.464 182 E N -0.171 119.985 120.200 -0.073 0.000 2.058 182 E HA -0.239 2.303 4.350 -3.014 0.000 0.194 182 E C 1.789 178.316 176.600 -0.122 0.000 0.997 182 E CA 1.317 57.662 56.400 -0.091 0.000 0.801 182 E CB -0.076 29.567 29.700 -0.095 0.000 0.746 182 E HN 0.447 nan 8.360 nan 0.000 0.450 183 K N 0.529 120.843 120.400 -0.145 0.000 2.097 183 K HA -0.139 2.372 4.320 -3.014 0.000 0.206 183 K C 1.755 178.281 176.600 -0.122 0.000 1.049 183 K CA 1.369 57.562 56.287 -0.157 0.000 0.933 183 K CB 0.095 32.505 32.500 -0.150 0.000 0.717 183 K HN 0.094 nan 8.250 nan 0.000 0.442 184 D N 0.689 121.026 120.400 -0.106 0.000 2.149 184 D HA -0.112 2.719 4.640 -3.014 0.000 0.201 184 D C 1.921 178.153 176.300 -0.114 0.000 0.972 184 D CA 0.886 54.820 54.000 -0.110 0.000 0.835 184 D CB 0.016 40.760 40.800 -0.094 0.000 0.966 184 D HN 0.159 nan 8.370 nan 0.000 0.476 185 L N 0.561 121.725 121.223 -0.099 0.000 2.017 185 L HA -0.174 2.358 4.340 -3.014 0.000 0.208 185 L C 2.614 179.418 176.870 -0.111 0.000 1.073 185 L CA 0.912 55.694 54.840 -0.097 0.000 0.745 185 L CB -0.271 41.739 42.059 -0.082 0.000 0.894 185 L HN -0.041 nan 8.230 nan 0.000 0.432 186 R N 0.755 121.192 120.500 -0.105 0.000 2.096 186 R HA -0.109 2.423 4.340 -3.014 0.000 0.235 186 R C 2.160 178.382 176.300 -0.130 0.000 1.127 186 R CA 1.657 57.701 56.100 -0.095 0.000 0.968 186 R CB -0.635 29.624 30.300 -0.068 0.000 0.861 186 R HN 0.296 nan 8.270 nan 0.000 0.440 187 A N 0.340 123.074 122.820 -0.144 0.000 1.902 187 A HA -0.073 2.438 4.320 -3.014 0.000 0.217 187 A C 1.850 179.281 177.584 -0.256 0.000 1.181 187 A CA 1.289 53.216 52.037 -0.183 0.000 0.623 187 A CB -0.464 18.434 19.000 -0.169 0.000 0.818 187 A HN 0.298 nan 8.150 nan 0.000 0.443 188 L N 0.644 121.733 121.223 -0.224 0.000 2.291 188 L HA -0.082 2.450 4.340 -3.014 0.000 0.214 188 L C 2.144 178.860 176.870 -0.256 0.000 1.120 188 L CA 1.343 56.031 54.840 -0.254 0.000 0.799 188 L CB -1.514 40.426 42.059 -0.198 0.000 0.925 188 L HN 0.593 nan 8.230 nan 0.000 0.446 189 N N 0.044 118.614 118.700 -0.215 0.000 2.120 189 N HA -0.173 2.758 4.740 -3.014 0.000 0.188 189 N C 1.865 177.250 175.510 -0.209 0.000 1.024 189 N CA 1.338 54.284 53.050 -0.174 0.000 0.852 189 N CB 0.123 38.535 38.487 -0.126 0.000 1.003 189 N HN 0.369 nan 8.380 nan 0.000 0.424 190 G N 0.041 108.640 108.800 -0.335 0.000 2.491 190 G HA2 -0.253 1.899 3.960 -3.014 0.000 0.218 190 G HA3 -0.253 1.899 3.960 -3.014 0.000 0.218 190 G C 1.501 176.224 174.900 -0.296 0.000 1.180 190 G CA 1.518 46.378 45.100 -0.401 0.000 0.774 190 G HN 0.337 nan 8.290 nan 0.000 0.562 191 T N 0.390 114.693 114.554 -0.419 0.000 2.777 191 T HA -0.044 2.497 4.350 -3.014 0.000 0.266 191 T C 2.513 177.153 174.700 -0.100 0.000 1.040 191 T CA 1.118 63.126 62.100 -0.154 0.000 1.141 191 T CB -0.123 68.614 68.868 -0.218 0.000 0.868 191 T HN 0.244 nan 8.240 nan 0.000 0.444 192 R N 0.366 120.776 120.500 -0.150 0.000 2.073 192 R HA -0.052 2.480 4.340 -3.014 0.000 0.234 192 R C 2.508 178.780 176.300 -0.046 0.000 1.134 192 R CA 1.089 57.134 56.100 -0.092 0.000 0.952 192 R CB -0.724 29.520 30.300 -0.095 0.000 0.850 192 R HN 0.232 nan 8.270 nan 0.000 0.433 193 V N 0.380 120.267 119.914 -0.046 0.000 2.295 193 V HA -0.243 2.069 4.120 -3.014 0.000 0.246 193 V C 2.168 178.271 176.094 0.015 0.000 1.049 193 V CA 2.200 64.491 62.300 -0.015 0.000 1.024 193 V CB -0.593 31.221 31.823 -0.016 0.000 0.648 193 V HN 0.409 nan 8.190 nan 0.000 0.447 194 T N -0.259 114.326 114.554 0.051 0.000 2.684 194 T HA -0.218 2.323 4.350 -3.014 0.000 0.267 194 T C 1.674 176.407 174.700 0.055 0.000 1.036 194 T CA 1.841 63.997 62.100 0.092 0.000 1.148 194 T CB -0.426 68.543 68.868 0.168 0.000 0.863 194 T HN 0.465 nan 8.240 nan 0.000 0.436 195 D N 0.894 121.319 120.400 0.042 0.000 2.123 195 D HA -0.074 2.757 4.640 -3.014 0.000 0.196 195 D C 2.313 178.608 176.300 -0.008 0.000 0.992 195 D CA 0.933 54.949 54.000 0.026 0.000 0.833 195 D CB -0.230 40.587 40.800 0.028 0.000 0.954 195 D HN 0.509 nan 8.370 nan 0.000 0.455 196 E N 0.160 120.350 120.200 -0.016 0.000 2.072 196 E HA -0.111 2.431 4.350 -3.014 0.000 0.191 196 E C 2.450 179.008 176.600 -0.069 0.000 0.985 196 E CA 0.395 56.775 56.400 -0.035 0.000 0.801 196 E CB -0.077 29.609 29.700 -0.023 0.000 0.750 196 E HN 0.340 nan 8.360 nan 0.000 0.452 197 I N 1.241 121.770 120.570 -0.070 0.000 2.208 197 I HA -0.311 2.050 4.170 -3.014 0.000 0.245 197 I C 2.441 178.398 176.117 -0.267 0.000 1.097 197 I CA 1.081 62.294 61.300 -0.146 0.000 1.363 197 I CB -0.250 37.700 38.000 -0.082 0.000 1.051 197 I HN 0.103 nan 8.210 nan 0.000 0.413 198 L N 0.164 121.281 121.223 -0.177 0.000 2.131 198 L HA -0.215 2.317 4.340 -3.014 0.000 0.210 198 L C 2.291 179.066 176.870 -0.158 0.000 1.092 198 L CA 1.397 56.128 54.840 -0.180 0.000 0.759 198 L CB -0.498 41.526 42.059 -0.057 0.000 0.903 198 L HN 0.275 nan 8.230 nan 0.000 0.435 199 E N -0.293 119.835 120.200 -0.119 0.000 2.358 199 E HA -0.095 2.447 4.350 -3.014 0.000 0.195 199 E C 1.886 178.407 176.600 -0.132 0.000 1.010 199 E CA 0.583 56.923 56.400 -0.101 0.000 0.856 199 E CB 0.163 29.822 29.700 -0.068 0.000 0.795 199 E HN 0.485 nan 8.360 nan 0.000 0.504 200 L N 0.596 121.720 121.223 -0.165 0.000 2.640 200 L HA 0.121 2.653 4.340 -3.014 0.000 0.230 200 L C 0.326 177.080 176.870 -0.193 0.000 1.123 200 L CA -0.316 54.427 54.840 -0.162 0.000 0.900 200 L CB 0.842 42.825 42.059 -0.127 0.000 1.146 200 L HN -0.031 nan 8.230 nan 0.000 0.484 201 V N -4.479 115.290 119.914 -0.241 0.000 2.547 201 V HA 0.422 2.734 4.120 -3.014 0.000 0.299 201 V C -1.873 174.133 176.094 -0.146 0.000 1.040 201 V CA -1.628 60.549 62.300 -0.206 0.000 0.913 201 V CB 1.216 32.836 31.823 -0.340 0.000 0.992 201 V HN -0.120 nan 8.190 nan 0.000 0.449 202 P HA 0.032 nan 4.420 nan 0.000 0.217 202 P C 0.035 177.329 177.300 -0.011 0.000 1.151 202 P CA 1.256 64.306 63.100 -0.084 0.000 0.828 202 P CB 0.139 31.850 31.700 0.018 0.000 0.788 203 K N -1.331 119.091 120.400 0.037 0.000 2.664 203 K HA 0.250 2.761 4.320 -3.014 0.000 0.234 203 K C -2.416 174.244 176.600 0.100 0.000 0.980 203 K CA -1.765 54.559 56.287 0.063 0.000 0.996 203 K CB 2.091 34.642 32.500 0.084 0.000 1.190 203 K HN -0.213 nan 8.250 nan 0.000 0.479 204 P HA -0.283 nan 4.420 nan 0.000 0.216 204 P C 1.000 178.422 177.300 0.204 0.000 1.154 204 P CA 1.440 64.630 63.100 0.151 0.000 0.865 204 P CB 0.147 31.898 31.700 0.085 0.000 0.789 205 N N -0.318 118.455 118.700 0.121 0.000 2.104 205 N HA -0.119 2.813 4.740 -3.014 0.000 0.190 205 N C 1.554 177.116 175.510 0.087 0.000 1.024 205 N CA 1.576 54.681 53.050 0.092 0.000 0.853 205 N CB -1.406 37.114 38.487 0.056 0.000 1.008 205 N HN 0.047 nan 8.380 nan 0.000 0.424 206 V N 0.936 120.912 119.914 0.104 0.000 2.295 206 V HA -0.188 2.123 4.120 -3.014 0.000 0.246 206 V C 2.265 178.420 176.094 0.102 0.000 1.049 206 V CA 1.733 64.087 62.300 0.089 0.000 1.024 206 V CB -1.028 30.858 31.823 0.106 0.000 0.648 206 V HN 0.221 nan 8.190 nan 0.000 0.447 207 F N 1.512 121.470 119.950 0.013 0.000 2.095 207 F HA -0.221 4.332 4.527 0.044 0.000 0.298 207 F C 2.564 178.359 175.800 -0.008 0.000 1.104 207 F CA 1.888 59.893 58.000 0.008 0.000 1.232 207 F CB -0.375 38.636 39.000 0.019 0.000 0.987 207 F HN -0.035 nan 8.300 nan 0.000 0.475 208 R N 0.054 120.455 120.500 -0.164 0.000 2.081 208 R HA -0.162 2.370 4.340 -3.014 0.000 0.235 208 R C 2.207 178.352 176.300 -0.257 0.000 1.131 208 R CA 1.686 57.617 56.100 -0.282 0.000 0.960 208 R CB -0.499 29.782 30.300 -0.032 0.000 0.856 208 R HN 0.318 nan 8.270 nan 0.000 0.436 209 I N 0.732 121.220 120.570 -0.137 0.000 2.202 209 I HA -0.187 2.174 4.170 -3.014 0.000 0.242 209 I C 2.564 178.555 176.117 -0.210 0.000 1.091 209 I CA 1.270 62.495 61.300 -0.124 0.000 1.368 209 I CB -1.462 36.506 38.000 -0.052 0.000 1.058 209 I HN 0.142 nan 8.210 nan 0.000 0.410 210 A N 0.839 123.526 122.820 -0.221 0.000 1.883 210 A HA -0.240 2.271 4.320 -3.014 0.000 0.217 210 A C 2.323 179.692 177.584 -0.358 0.000 1.186 210 A CA 1.755 53.629 52.037 -0.272 0.000 0.624 210 A CB -1.018 17.858 19.000 -0.206 0.000 0.822 210 A HN 0.382 nan 8.150 nan 0.000 0.444 211 L N -0.173 120.779 121.223 -0.453 0.000 2.093 211 L HA -0.100 2.431 4.340 -3.014 0.000 0.208 211 L C 2.411 179.099 176.870 -0.304 0.000 1.085 211 L CA 1.816 56.400 54.840 -0.425 0.000 0.755 211 L CB -0.675 40.987 42.059 -0.662 0.000 0.904 211 L HN 0.359 nan 8.230 nan 0.000 0.435 212 R N -0.598 119.711 120.500 -0.320 0.000 2.103 212 R HA -0.174 2.358 4.340 -3.014 0.000 0.242 212 R C 2.208 178.334 176.300 -0.290 0.000 1.142 212 R CA 1.435 57.341 56.100 -0.323 0.000 0.960 212 R CB -0.647 29.408 30.300 -0.408 0.000 0.858 212 R HN 0.537 nan 8.270 nan 0.000 0.439 213 A N 1.138 123.818 122.820 -0.233 0.000 1.873 213 A HA -0.108 2.403 4.320 -3.014 0.000 0.215 213 A C 2.058 179.670 177.584 0.046 0.000 1.186 213 A CA 1.005 52.998 52.037 -0.073 0.000 0.616 213 A CB -0.258 18.739 19.000 -0.006 0.000 0.823 213 A HN 0.078 nan 8.150 nan 0.000 0.442 214 I N 0.142 120.624 120.570 -0.147 0.000 2.286 214 I HA -0.199 2.163 4.170 -3.014 0.000 0.248 214 I C 2.202 178.301 176.117 -0.030 0.000 1.115 214 I CA 1.511 62.730 61.300 -0.135 0.000 1.392 214 I CB -1.212 36.507 38.000 -0.469 0.000 1.065 214 I HN 0.366 nan 8.210 nan 0.000 0.418 215 K N 0.290 120.638 120.400 -0.086 0.000 2.026 215 K HA -0.211 2.301 4.320 -3.014 0.000 0.208 215 K C 2.068 178.580 176.600 -0.146 0.000 1.048 215 K CA 1.199 57.447 56.287 -0.064 0.000 0.929 215 K CB -0.386 32.071 32.500 -0.072 0.000 0.713 215 K HN 0.106 nan 8.250 nan 0.000 0.439 216 L N 0.471 121.587 121.223 -0.177 0.000 1.994 216 L HA -0.171 2.361 4.340 -3.014 0.000 0.208 216 L C 2.091 178.950 176.870 -0.018 0.000 1.071 216 L CA 1.737 56.437 54.840 -0.234 0.000 0.745 216 L CB -0.774 40.963 42.059 -0.536 0.000 0.892 216 L HN 0.353 nan 8.230 nan 0.000 0.431 217 W N 0.547 121.881 121.300 0.057 0.000 2.335 217 W HA -0.260 2.589 4.660 -3.019 0.000 0.311 217 W C 2.299 178.829 176.519 0.018 0.000 1.213 217 W CA 2.784 60.264 57.345 0.224 0.000 1.274 217 W CB -0.613 29.033 29.460 0.311 0.000 1.148 217 W HN 0.261 nan 8.180 nan 0.000 0.498 218 A N 0.112 122.745 122.820 -0.311 0.000 1.933 218 A HA -0.236 2.276 4.320 -3.014 0.000 0.218 218 A C 1.878 179.249 177.584 -0.355 0.000 1.175 218 A CA 1.972 53.636 52.037 -0.623 0.000 0.628 218 A CB -0.866 17.788 19.000 -0.576 0.000 0.814 218 A HN 0.566 nan 8.150 nan 0.000 0.444 219 Q N -0.913 118.726 119.800 -0.268 0.000 2.079 219 Q HA -0.093 2.438 4.340 -3.014 0.000 0.200 219 Q C 2.379 178.232 176.000 -0.245 0.000 0.974 219 Q CA 1.203 56.834 55.803 -0.287 0.000 0.840 219 Q CB -0.128 28.399 28.738 -0.351 0.000 0.898 219 Q HN 0.415 nan 8.270 nan 0.000 0.430 220 R N 0.311 120.692 120.500 -0.197 0.000 2.096 220 R HA -0.016 2.516 4.340 -3.014 0.000 0.235 220 R C 1.677 177.889 176.300 -0.146 0.000 1.127 220 R CA 0.956 56.989 56.100 -0.113 0.000 0.968 220 R CB -0.080 30.214 30.300 -0.009 0.000 0.861 220 R HN 0.141 nan 8.270 nan 0.000 0.440 221 R N 0.124 120.436 120.500 -0.313 0.000 2.310 221 R HA 0.177 2.708 4.340 -3.014 0.000 0.202 221 R C 0.595 176.708 176.300 -0.311 0.000 0.933 221 R CA 0.426 56.325 56.100 -0.334 0.000 1.054 221 R CB -0.329 29.605 30.300 -0.609 0.000 0.985 221 R HN 0.224 nan 8.270 nan 0.000 0.489 222 A N 0.690 123.299 122.820 -0.351 0.000 2.739 222 A HA -0.157 2.354 4.320 -3.014 0.000 0.296 222 A C 0.733 177.866 177.584 -0.751 0.000 1.488 222 A CA 0.943 52.684 52.037 -0.494 0.000 0.746 222 A CB -2.138 16.634 19.000 -0.381 0.000 1.047 222 A HN 0.258 nan 8.150 nan 0.000 0.477 223 V N -4.034 115.504 119.914 -0.627 0.000 2.909 223 V HA 0.620 2.931 4.120 -3.014 0.000 0.362 223 V C -0.268 175.832 176.094 0.010 0.000 1.356 223 V CA 0.208 62.121 62.300 -0.646 0.000 1.195 223 V CB -0.362 31.326 31.823 -0.225 0.000 1.256 223 V HN 1.012 nan 8.190 nan 0.000 0.567 224 Y N 1.198 121.398 120.300 -0.166 0.000 2.426 224 Y HA 0.790 3.529 4.550 -3.019 0.000 0.325 224 Y C -0.129 175.807 175.900 0.061 0.000 0.989 224 Y CA -0.116 58.064 58.100 0.134 0.000 1.284 224 Y CB 1.369 39.838 38.460 0.015 0.000 1.104 224 Y HN 0.476 nan 8.280 nan 0.000 0.481 225 A N 4.709 127.692 122.820 0.272 0.000 1.819 225 A HA 0.077 2.589 4.320 -3.014 0.000 0.279 225 A C -0.537 177.104 177.584 0.096 0.000 1.037 225 A CA -0.460 51.708 52.037 0.220 0.000 0.917 225 A CB -0.412 18.791 19.000 0.337 0.000 1.193 225 A HN 0.862 nan 8.150 nan 0.000 0.343 226 N N 1.778 120.440 118.700 -0.063 0.000 2.166 226 N HA -0.155 2.777 4.740 -3.014 0.000 0.186 226 N C 1.474 176.855 175.510 -0.215 0.000 1.019 226 N CA 2.188 55.141 53.050 -0.162 0.000 0.856 226 N CB -0.157 38.215 38.487 -0.191 0.000 0.993 226 N HN 0.842 nan 8.380 nan 0.000 0.426 227 I N -1.003 119.371 120.570 -0.326 0.000 2.454 227 I HA -0.161 2.201 4.170 -3.014 0.000 0.254 227 I C 0.327 176.131 176.117 -0.521 0.000 1.156 227 I CA 1.147 62.134 61.300 -0.522 0.000 1.433 227 I CB -0.035 37.500 38.000 -0.776 0.000 1.082 227 I HN 0.127 nan 8.210 nan 0.000 0.432 228 F N 0.278 120.227 119.950 -0.002 0.000 2.639 228 F HA 0.395 3.113 4.527 -3.014 0.000 0.302 228 F C 1.458 177.178 175.800 -0.134 0.000 1.097 228 F CA 0.222 58.223 58.000 0.001 0.000 1.294 228 F CB 0.722 39.786 39.000 0.106 0.000 1.027 228 F HN 0.114 nan 8.300 nan 0.000 0.550 229 G N 0.205 108.943 108.800 -0.103 0.000 2.134 229 G HA2 -0.265 1.886 3.960 -3.014 0.000 0.209 229 G HA3 -0.265 1.886 3.960 -3.014 0.000 0.209 229 G C -0.184 174.384 174.900 -0.554 0.000 0.993 229 G CA -0.583 44.319 45.100 -0.329 0.000 0.669 229 G HN 0.255 nan 8.290 nan 0.000 0.519 230 F N 0.261 120.151 119.950 -0.100 0.000 2.541 230 F HA 0.643 3.360 4.527 -3.018 0.000 0.331 230 F C -1.942 173.703 175.800 -0.258 0.000 1.057 230 F CA -2.634 55.289 58.000 -0.128 0.000 0.975 230 F CB 1.621 40.618 39.000 -0.005 0.000 1.246 230 F HN -0.190 nan 8.300 nan 0.000 0.484 231 P HA 0.180 nan 4.420 nan 0.000 0.271 231 P C -0.247 176.759 177.300 -0.491 0.000 1.216 231 P CA -0.013 62.728 63.100 -0.597 0.000 0.776 231 P CB 0.618 31.461 31.700 -1.430 0.000 0.881 232 G N 1.199 109.724 108.800 -0.460 0.000 2.606 232 G HA2 0.407 2.558 3.960 -3.014 0.000 0.262 232 G HA3 0.407 2.558 3.960 -3.014 0.000 0.262 232 G C 1.247 175.908 174.900 -0.399 0.000 1.394 232 G CA -0.182 44.637 45.100 -0.468 0.000 1.044 232 G HN 0.489 nan 8.290 nan 0.000 0.553 233 G N -1.250 107.441 108.800 -0.182 0.000 2.418 233 G HA2 -0.134 2.017 3.960 -3.014 0.000 0.217 233 G HA3 -0.134 2.017 3.960 -3.014 0.000 0.217 233 G C 1.677 176.648 174.900 0.118 0.000 1.158 233 G CA 1.478 46.648 45.100 0.117 0.000 0.771 233 G HN 0.623 nan 8.290 nan 0.000 0.545 234 V N 1.250 121.193 119.914 0.049 0.000 2.358 234 V HA 0.011 2.322 4.120 -3.014 0.000 0.246 234 V C 3.140 179.242 176.094 0.013 0.000 1.047 234 V CA 2.476 64.810 62.300 0.056 0.000 1.035 234 V CB -0.586 31.256 31.823 0.031 0.000 0.658 234 V HN 0.430 nan 8.190 nan 0.000 0.452 235 A N -1.139 121.614 122.820 -0.112 0.000 1.902 235 A HA -0.236 2.275 4.320 -3.014 0.000 0.217 235 A C 1.935 179.453 177.584 -0.109 0.000 1.181 235 A CA 1.995 53.906 52.037 -0.211 0.000 0.623 235 A CB -1.114 17.629 19.000 -0.428 0.000 0.818 235 A HN 0.765 nan 8.150 nan 0.000 0.443 236 W N -0.353 120.960 121.300 0.021 0.000 2.363 236 W HA -0.079 2.755 4.660 -3.044 0.000 0.296 236 W C 2.763 179.376 176.519 0.156 0.000 1.212 236 W CA 1.008 58.428 57.345 0.127 0.000 1.260 236 W CB -0.040 29.483 29.460 0.105 0.000 1.131 236 W HN 0.418 nan 8.180 nan 0.000 0.530 237 A N -0.001 123.029 122.820 0.350 0.000 1.902 237 A HA -0.229 2.283 4.320 -3.014 0.000 0.217 237 A C 1.896 179.707 177.584 0.379 0.000 1.181 237 A CA 1.853 54.105 52.037 0.359 0.000 0.623 237 A CB -0.811 18.396 19.000 0.346 0.000 0.818 237 A HN 0.267 nan 8.150 nan 0.000 0.443 238 M N -0.799 118.935 119.600 0.222 0.000 2.175 238 M HA -0.053 2.619 4.480 -3.014 0.000 0.264 238 M C 2.118 178.509 176.300 0.152 0.000 1.063 238 M CA 1.151 56.532 55.300 0.135 0.000 1.119 238 M CB -0.464 32.152 32.600 0.027 0.000 1.377 238 M HN 0.362 nan 8.290 nan 0.000 0.415 239 L N -0.568 120.774 121.223 0.198 0.000 2.017 239 L HA -0.184 2.347 4.340 -3.014 0.000 0.208 239 L C 2.451 179.569 176.870 0.413 0.000 1.073 239 L CA 0.923 55.893 54.840 0.218 0.000 0.745 239 L CB -0.645 41.604 42.059 0.317 0.000 0.894 239 L HN 0.109 nan 8.230 nan 0.000 0.432 240 V N 0.072 120.310 119.914 0.541 0.000 2.295 240 V HA -0.319 1.992 4.120 -3.014 0.000 0.246 240 V C 2.771 179.109 176.094 0.407 0.000 1.049 240 V CA 1.835 64.389 62.300 0.425 0.000 1.024 240 V CB -0.997 30.925 31.823 0.164 0.000 0.648 240 V HN 0.499 nan 8.190 nan 0.000 0.447 241 A N 0.297 123.373 122.820 0.427 0.000 1.917 241 A HA -0.310 2.201 4.320 -3.014 0.000 0.219 241 A C 2.303 179.973 177.584 0.143 0.000 1.182 241 A CA 2.406 54.572 52.037 0.215 0.000 0.633 241 A CB -0.573 18.434 19.000 0.012 0.000 0.819 241 A HN 0.485 nan 8.150 nan 0.000 0.448 242 R N 0.022 120.602 120.500 0.134 0.000 2.081 242 R HA -0.094 2.437 4.340 -3.014 0.000 0.235 242 R C 1.764 178.151 176.300 0.146 0.000 1.131 242 R CA 1.901 58.057 56.100 0.094 0.000 0.960 242 R CB -0.489 29.820 30.300 0.016 0.000 0.856 242 R HN 0.474 nan 8.270 nan 0.000 0.436 243 I N 0.006 120.692 120.570 0.195 0.000 2.252 243 I HA -0.260 2.102 4.170 -3.014 0.000 0.245 243 I C 2.330 178.628 176.117 0.301 0.000 1.102 243 I CA 0.854 62.312 61.300 0.263 0.000 1.385 243 I CB -1.521 36.651 38.000 0.286 0.000 1.064 243 I HN 0.236 nan 8.210 nan 0.000 0.414 244 C N 0.709 120.163 119.300 0.258 0.000 2.401 244 C HA -0.217 2.434 4.460 -3.014 0.000 0.276 244 C C 2.896 178.009 174.990 0.204 0.000 1.233 244 C CA 0.900 60.059 59.018 0.236 0.000 1.753 244 C CB -1.251 26.625 27.740 0.227 0.000 2.029 244 C HN 0.551 nan 8.230 nan 0.000 0.478 245 Q N 0.018 119.910 119.800 0.154 0.000 2.124 245 Q HA -0.128 2.404 4.340 -3.014 0.000 0.202 245 Q C 2.118 178.220 176.000 0.170 0.000 0.977 245 Q CA 1.235 57.123 55.803 0.142 0.000 0.850 245 Q CB -0.228 28.566 28.738 0.094 0.000 0.901 245 Q HN 0.697 nan 8.270 nan 0.000 0.429 246 L N -1.034 120.257 121.223 0.114 0.000 2.217 246 L HA -0.095 2.437 4.340 -3.014 0.000 0.211 246 L C 0.251 176.899 176.870 -0.371 0.000 1.107 246 L CA 0.687 55.457 54.840 -0.117 0.000 0.783 246 L CB 0.168 42.148 42.059 -0.131 0.000 0.919 246 L HN 0.200 nan 8.230 nan 0.000 0.442 247 Y N -0.806 119.563 120.300 0.114 0.000 2.658 247 Y HA 0.256 2.990 4.550 -3.025 0.000 0.362 247 Y C -1.616 174.361 175.900 0.128 0.000 1.017 247 Y CA -2.055 56.105 58.100 0.100 0.000 1.134 247 Y CB 0.235 38.745 38.460 0.084 0.000 1.144 247 Y HN -0.077 nan 8.280 nan 0.000 0.655 248 P HA -0.101 nan 4.420 nan 0.000 0.222 248 P C 0.281 177.710 177.300 0.214 0.000 1.147 248 P CA 1.345 64.612 63.100 0.279 0.000 0.790 248 P CB 0.598 32.576 31.700 0.463 0.000 0.780 249 N N -0.688 118.124 118.700 0.185 0.000 2.214 249 N HA 0.188 3.120 4.740 -3.014 0.000 0.214 249 N C 0.560 176.153 175.510 0.137 0.000 1.132 249 N CA -0.100 53.035 53.050 0.143 0.000 0.856 249 N CB 0.509 39.063 38.487 0.112 0.000 1.020 249 N HN 0.097 nan 8.380 nan 0.000 0.509 250 A N 0.641 123.561 122.820 0.167 0.000 2.287 250 A HA 0.447 2.959 4.320 -3.014 0.000 0.273 250 A C 0.925 178.575 177.584 0.110 0.000 1.091 250 A CA -0.573 51.547 52.037 0.139 0.000 0.817 250 A CB 0.379 19.456 19.000 0.129 0.000 1.069 250 A HN 0.423 nan 8.150 nan 0.000 0.492 251 C N -0.115 119.243 119.300 0.097 0.000 2.500 251 C HA 0.570 3.222 4.460 -3.014 0.000 0.367 251 C C 1.746 176.779 174.990 0.071 0.000 1.283 251 C CA 0.057 59.123 59.018 0.080 0.000 2.456 251 C CB 0.310 28.098 27.740 0.079 0.000 2.457 251 C HN 0.799 nan 8.230 nan 0.000 0.632 252 S N 1.186 116.907 115.700 0.034 0.000 2.382 252 S HA -0.098 2.563 4.470 -3.014 0.000 0.228 252 S C 2.159 176.765 174.600 0.010 0.000 1.027 252 S CA 1.560 59.756 58.200 -0.006 0.000 0.991 252 S CB -0.678 62.481 63.200 -0.068 0.000 0.823 252 S HN 1.075 nan 8.310 nan 0.000 0.469 253 A N 1.223 124.088 122.820 0.074 0.000 1.902 253 A HA -0.056 2.456 4.320 -3.014 0.000 0.217 253 A C 2.343 180.213 177.584 0.477 0.000 1.181 253 A CA 1.526 53.731 52.037 0.280 0.000 0.623 253 A CB -0.893 18.338 19.000 0.386 0.000 0.818 253 A HN 0.352 nan 8.150 nan 0.000 0.443 254 V N 0.583 120.711 119.914 0.356 0.000 2.358 254 V HA -0.229 2.083 4.120 -3.014 0.000 0.246 254 V C 2.430 178.480 176.094 -0.073 0.000 1.047 254 V CA 1.634 64.030 62.300 0.160 0.000 1.035 254 V CB -0.630 31.258 31.823 0.108 0.000 0.658 254 V HN 0.513 nan 8.190 nan 0.000 0.452 255 I N -0.147 120.401 120.570 -0.037 0.000 2.194 255 I HA -0.254 2.107 4.170 -3.014 0.000 0.246 255 I C 2.355 178.423 176.117 -0.082 0.000 1.093 255 I CA 1.854 63.116 61.300 -0.063 0.000 1.355 255 I CB -1.140 36.864 38.000 0.007 0.000 1.046 255 I HN 0.291 nan 8.210 nan 0.000 0.413 256 L N 0.198 121.375 121.223 -0.077 0.000 2.046 256 L HA -0.223 2.309 4.340 -3.014 0.000 0.208 256 L C 2.441 179.279 176.870 -0.054 0.000 1.077 256 L CA 1.540 56.280 54.840 -0.166 0.000 0.747 256 L CB -0.808 41.239 42.059 -0.020 0.000 0.896 256 L HN 0.415 nan 8.230 nan 0.000 0.432 257 N N 0.272 118.978 118.700 0.010 0.000 2.043 257 N HA -0.209 2.723 4.740 -3.014 0.000 0.193 257 N C 2.049 177.500 175.510 -0.097 0.000 1.037 257 N CA 1.170 54.162 53.050 -0.095 0.000 0.851 257 N CB 0.151 38.295 38.487 -0.573 0.000 1.027 257 N HN 0.195 nan 8.380 nan 0.000 0.422 258 R N 0.420 120.807 120.500 -0.189 0.000 2.092 258 R HA -0.101 2.430 4.340 -3.014 0.000 0.231 258 R C 2.060 178.341 176.300 -0.033 0.000 1.119 258 R CA 0.557 56.558 56.100 -0.165 0.000 0.970 258 R CB -1.545 28.484 30.300 -0.451 0.000 0.864 258 R HN 0.382 nan 8.270 nan 0.000 0.440 259 F N 0.779 120.580 119.950 -0.249 0.000 2.065 259 F HA -0.249 2.457 4.527 -3.034 0.000 0.298 259 F C 1.977 177.530 175.800 -0.412 0.000 1.112 259 F CA 1.671 59.457 58.000 -0.357 0.000 1.212 259 F CB -0.411 38.243 39.000 -0.577 0.000 0.975 259 F HN -0.103 nan 8.300 nan 0.000 0.476 260 F N 0.082 120.040 119.950 0.013 0.000 2.186 260 F HA -0.147 2.583 4.527 -2.996 0.000 0.299 260 F C 2.285 177.998 175.800 -0.145 0.000 1.090 260 F CA 1.077 58.994 58.000 -0.138 0.000 1.307 260 F CB -0.445 38.538 39.000 -0.029 0.000 1.019 260 F HN -0.050 nan 8.300 nan 0.000 0.489 261 I N 0.176 120.809 120.570 0.106 0.000 2.113 261 I HA -0.334 2.028 4.170 -3.014 0.000 0.238 261 I C 2.295 178.430 176.117 0.030 0.000 1.070 261 I CA 1.604 62.942 61.300 0.064 0.000 1.332 261 I CB -0.498 37.521 38.000 0.032 0.000 1.044 261 I HN 0.074 nan 8.210 nan 0.000 0.402 262 I N 0.447 121.010 120.570 -0.010 0.000 2.179 262 I HA -0.302 2.059 4.170 -3.014 0.000 0.242 262 I C 2.416 178.557 176.117 0.040 0.000 1.088 262 I CA 1.518 62.844 61.300 0.045 0.000 1.357 262 I CB -0.257 37.800 38.000 0.095 0.000 1.051 262 I HN 0.220 nan 8.210 nan 0.000 0.409 263 L N 0.158 121.232 121.223 -0.249 0.000 2.109 263 L HA -0.139 2.392 4.340 -3.014 0.000 0.207 263 L C 2.820 179.793 176.870 0.171 0.000 1.086 263 L CA 1.353 56.026 54.840 -0.278 0.000 0.760 263 L CB -0.699 40.711 42.059 -1.081 0.000 0.910 263 L HN 0.353 nan 8.230 nan 0.000 0.437 264 S N -0.122 115.664 115.700 0.144 0.000 2.368 264 S HA -0.215 2.447 4.470 -3.014 0.000 0.225 264 S C 1.646 176.452 174.600 0.343 0.000 1.030 264 S CA 1.242 59.707 58.200 0.441 0.000 0.999 264 S CB -0.344 63.067 63.200 0.352 0.000 0.844 264 S HN 0.507 nan 8.310 nan 0.000 0.459 265 E N -0.396 119.927 120.200 0.205 0.000 2.478 265 E HA 0.069 2.610 4.350 -3.014 0.000 0.194 265 E C 0.353 176.994 176.600 0.068 0.000 1.045 265 E CA -0.455 56.022 56.400 0.129 0.000 0.868 265 E CB 0.024 29.762 29.700 0.065 0.000 0.885 265 E HN 0.611 nan 8.360 nan 0.000 0.505 266 W N 2.224 123.399 121.300 -0.208 0.000 2.209 266 W HA -0.040 2.820 4.660 -3.001 0.000 0.344 266 W C 0.417 176.586 176.519 -0.584 0.000 1.285 266 W CA 0.252 57.280 57.345 -0.528 0.000 1.267 266 W CB 0.360 29.225 29.460 -0.990 0.000 1.167 266 W HN -0.086 nan 8.180 nan 0.000 0.574 267 N N 5.095 123.427 118.700 -0.612 0.000 3.254 267 N HA 0.033 2.965 4.740 -3.014 0.000 0.308 267 N C -0.729 174.747 175.510 -0.056 0.000 1.281 267 N CA -0.287 52.589 53.050 -0.290 0.000 1.212 267 N CB -0.602 37.707 38.487 -0.297 0.000 1.478 267 N HN 0.220 nan 8.380 nan 0.000 0.548 268 W N 1.334 122.826 121.300 0.319 0.000 2.231 268 W HA 0.131 2.975 4.660 -3.025 0.000 0.341 268 W C -1.039 175.588 176.519 0.179 0.000 1.298 268 W CA -1.402 56.114 57.345 0.284 0.000 1.266 268 W CB 0.320 29.916 29.460 0.227 0.000 1.172 268 W HN 0.354 nan 8.180 nan 0.000 0.568 269 P HA -0.033 nan 4.420 nan 0.000 0.254 269 P C -0.276 177.314 177.300 0.482 0.000 1.494 269 P CA -0.044 63.352 63.100 0.493 0.000 0.961 269 P CB 0.215 32.123 31.700 0.346 0.000 1.493 270 Q N 2.882 122.912 119.800 0.384 0.000 2.315 270 Q HA 0.116 2.648 4.340 -3.014 0.000 0.289 270 Q C -2.073 174.236 176.000 0.516 0.000 1.044 270 Q CA -1.139 54.864 55.803 0.333 0.000 0.920 270 Q CB 0.375 29.172 28.738 0.099 0.000 1.214 270 Q HN 0.188 nan 8.270 nan 0.000 0.392 271 P HA 0.053 nan 4.420 nan 0.000 0.281 271 P C -1.081 176.391 177.300 0.286 0.000 1.249 271 P CA -0.307 62.962 63.100 0.283 0.000 0.810 271 P CB 0.966 32.698 31.700 0.053 0.000 1.008 272 V N 4.568 124.521 119.914 0.065 0.000 2.432 272 V HA 0.255 2.566 4.120 -3.014 0.000 0.271 272 V C 0.672 176.744 176.094 -0.036 0.000 1.046 272 V CA 0.032 62.296 62.300 -0.060 0.000 0.945 272 V CB -0.039 31.607 31.823 -0.295 0.000 0.992 272 V HN 0.397 nan 8.190 nan 0.000 0.471 273 I N 5.237 125.832 120.570 0.042 0.000 2.533 273 I HA 0.340 2.701 4.170 -3.014 0.000 0.290 273 I C 0.471 176.613 176.117 0.040 0.000 1.056 273 I CA -0.456 60.861 61.300 0.028 0.000 1.057 273 I CB 2.513 40.560 38.000 0.078 0.000 1.240 273 I HN 0.474 nan 8.210 nan 0.000 0.423 274 L N 5.135 126.368 121.223 0.017 0.000 2.513 274 L HA 0.212 2.743 4.340 -3.014 0.000 0.222 274 L C 0.386 177.266 176.870 0.016 0.000 1.096 274 L CA 0.443 55.291 54.840 0.013 0.000 0.857 274 L CB -0.130 41.922 42.059 -0.012 0.000 1.026 274 L HN 0.598 nan 8.230 nan 0.000 0.469 275 K N -1.452 118.965 120.400 0.028 0.000 2.597 275 K HA 0.452 2.964 4.320 -3.014 0.000 0.282 275 K C -3.034 173.596 176.600 0.051 0.000 0.975 275 K CA -1.619 54.686 56.287 0.030 0.000 0.867 275 K CB 0.924 33.433 32.500 0.014 0.000 1.465 275 K HN -0.380 nan 8.250 nan 0.000 0.417 276 P HA 0.081 nan 4.420 nan 0.000 0.265 276 P C -0.513 176.837 177.300 0.083 0.000 1.193 276 P CA -0.034 63.107 63.100 0.068 0.000 0.765 276 P CB 0.290 32.023 31.700 0.054 0.000 0.823 277 I N 2.668 123.305 120.570 0.112 0.000 2.662 277 I HA -0.048 2.313 4.170 -3.014 0.000 0.285 277 I C 1.195 177.392 176.117 0.133 0.000 1.161 277 I CA 0.578 61.962 61.300 0.140 0.000 1.415 277 I CB -0.062 38.053 38.000 0.191 0.000 1.385 277 I HN 0.331 nan 8.210 nan 0.000 0.552 278 E N 5.005 125.296 120.200 0.152 0.000 2.349 278 E HA 0.135 2.677 4.350 -3.014 0.000 0.265 278 E C -0.710 176.002 176.600 0.186 0.000 1.064 278 E CA -0.641 55.838 56.400 0.133 0.000 0.886 278 E CB 0.910 30.682 29.700 0.119 0.000 1.036 278 E HN 0.554 nan 8.360 nan 0.000 0.413 279 D N 0.170 120.607 120.400 0.063 0.000 2.478 279 D HA 0.681 3.513 4.640 -3.014 0.000 0.263 279 D C 0.171 176.260 176.300 -0.351 0.000 1.153 279 D CA -0.705 53.312 54.000 0.029 0.000 1.038 279 D CB 1.201 42.019 40.800 0.030 0.000 1.120 279 D HN 0.492 nan 8.370 nan 0.000 0.564 280 G N -1.843 106.646 108.800 -0.518 0.000 2.561 280 G HA2 0.434 2.586 3.960 -3.014 0.000 0.310 280 G HA3 0.434 2.586 3.960 -3.014 0.000 0.310 280 G C -2.439 172.231 174.900 -0.384 0.000 1.292 280 G CA -0.788 43.736 45.100 -0.959 0.000 0.811 280 G HN 0.453 nan 8.290 nan 0.000 0.482 281 P HA 0.320 nan 4.420 nan 0.000 0.255 281 P C -0.027 177.305 177.300 0.053 0.000 1.248 281 P CA 0.026 63.090 63.100 -0.060 0.000 0.807 281 P CB 0.458 32.123 31.700 -0.058 0.000 1.150 282 L N 0.238 121.567 121.223 0.177 0.000 2.400 282 L HA 0.297 2.828 4.340 -3.014 0.000 0.264 282 L C 1.550 178.503 176.870 0.139 0.000 1.061 282 L CA -0.004 54.937 54.840 0.168 0.000 0.799 282 L CB 0.434 42.614 42.059 0.201 0.000 1.240 282 L HN -0.206 nan 8.230 nan 0.000 0.461 283 Q N 0.373 120.223 119.800 0.083 0.000 2.280 283 Q HA 0.151 2.683 4.340 -3.014 0.000 0.201 283 Q C -0.020 176.009 176.000 0.048 0.000 0.890 283 Q CA -0.113 55.729 55.803 0.064 0.000 0.947 283 Q CB -0.045 28.716 28.738 0.039 0.000 1.081 283 Q HN 0.514 nan 8.270 nan 0.000 0.502 284 V N -0.738 119.199 119.914 0.039 0.000 2.924 284 V HA 0.256 2.568 4.120 -3.014 0.000 0.305 284 V C 0.381 176.471 176.094 -0.007 0.000 1.073 284 V CA -0.893 61.397 62.300 -0.017 0.000 1.098 284 V CB 0.550 32.333 31.823 -0.066 0.000 1.000 284 V HN 0.062 nan 8.190 nan 0.000 0.484 285 R N 2.314 122.770 120.500 -0.073 0.000 2.491 285 R HA 0.530 3.062 4.340 -3.014 0.000 0.283 285 R C -0.538 175.765 176.300 0.004 0.000 1.072 285 R CA -0.310 55.741 56.100 -0.081 0.000 1.048 285 R CB 1.032 31.043 30.300 -0.482 0.000 0.983 285 R HN 0.695 nan 8.270 nan 0.000 0.450 286 V N 2.946 122.953 119.914 0.154 0.000 2.713 286 V HA 0.146 2.458 4.120 -3.014 0.000 0.307 286 V C -0.260 176.013 176.094 0.299 0.000 1.052 286 V CA -0.879 61.526 62.300 0.174 0.000 0.967 286 V CB 1.419 33.358 31.823 0.192 0.000 1.019 286 V HN 0.756 nan 8.190 nan 0.000 0.459 287 W N 5.080 126.456 121.300 0.127 0.000 2.385 287 W HA 0.157 3.017 4.660 -2.999 0.000 0.336 287 W C 0.399 177.032 176.519 0.189 0.000 1.351 287 W CA 0.693 58.141 57.345 0.172 0.000 1.295 287 W CB 0.107 29.651 29.460 0.139 0.000 1.239 287 W HN 0.627 nan 8.180 nan 0.000 0.565 288 N N 7.624 126.039 118.700 -0.475 0.000 3.151 288 N HA 0.103 3.034 4.740 -3.014 0.000 0.219 288 N C -2.075 173.055 175.510 -0.633 0.000 1.434 288 N CA -1.188 51.569 53.050 -0.489 0.000 0.767 288 N CB 1.133 39.471 38.487 -0.249 0.000 1.564 288 N HN 0.121 nan 8.380 nan 0.000 0.612 289 P HA -0.098 nan 4.420 nan 0.000 0.226 289 P C 0.902 178.004 177.300 -0.329 0.000 1.153 289 P CA 0.818 63.588 63.100 -0.550 0.000 0.777 289 P CB 0.624 32.027 31.700 -0.494 0.000 0.794 290 K N 0.182 120.394 120.400 -0.314 0.000 2.063 290 K HA -0.096 2.416 4.320 -3.014 0.000 0.208 290 K C 2.130 178.569 176.600 -0.268 0.000 1.048 290 K CA 1.759 57.905 56.287 -0.235 0.000 0.928 290 K CB -0.333 32.048 32.500 -0.199 0.000 0.713 290 K HN 0.353 nan 8.250 nan 0.000 0.442 291 I N -4.232 116.083 120.570 -0.425 0.000 4.288 291 I HA 0.120 2.481 4.170 -3.014 0.000 0.331 291 I C -0.237 175.581 176.117 -0.497 0.000 1.322 291 I CA -0.405 60.591 61.300 -0.506 0.000 1.149 291 I CB 0.453 38.072 38.000 -0.634 0.000 1.112 291 I HN -0.153 nan 8.210 nan 0.000 0.403 292 Y N 1.535 121.734 120.300 -0.169 0.000 2.345 292 Y HA 0.676 3.417 4.550 -3.016 0.000 0.331 292 Y C 1.430 177.222 175.900 -0.180 0.000 0.959 292 Y CA -0.845 57.159 58.100 -0.161 0.000 1.204 292 Y CB 1.938 40.294 38.460 -0.173 0.000 1.135 292 Y HN 0.006 nan 8.280 nan 0.000 0.477 293 A N 2.548 125.380 122.820 0.019 0.000 1.972 293 A HA -0.233 2.279 4.320 -3.014 0.000 0.219 293 A C 2.165 179.702 177.584 -0.080 0.000 1.169 293 A CA 2.201 54.214 52.037 -0.041 0.000 0.635 293 A CB -0.898 18.087 19.000 -0.023 0.000 0.810 293 A HN 0.908 nan 8.150 nan 0.000 0.446 294 Q N -0.148 119.606 119.800 -0.077 0.000 2.124 294 Q HA -0.261 2.271 4.340 -3.014 0.000 0.202 294 Q C 1.699 177.479 176.000 -0.365 0.000 0.977 294 Q CA 1.988 57.707 55.803 -0.141 0.000 0.850 294 Q CB -0.923 27.763 28.738 -0.086 0.000 0.901 294 Q HN 0.747 nan 8.270 nan 0.000 0.429 295 D N -0.247 119.957 120.400 -0.327 0.000 2.144 295 D HA -0.073 2.758 4.640 -3.014 0.000 0.200 295 D C 1.969 178.064 176.300 -0.342 0.000 0.978 295 D CA 1.013 54.729 54.000 -0.474 0.000 0.833 295 D CB -0.250 40.225 40.800 -0.541 0.000 0.961 295 D HN 0.515 nan 8.370 nan 0.000 0.470 296 R N 0.577 120.939 120.500 -0.230 0.000 2.159 296 R HA -0.091 2.441 4.340 -3.014 0.000 0.237 296 R C 2.211 178.490 176.300 -0.036 0.000 1.131 296 R CA 1.320 57.360 56.100 -0.101 0.000 0.982 296 R CB -0.118 30.132 30.300 -0.084 0.000 0.868 296 R HN 0.198 nan 8.270 nan 0.000 0.453 297 S N -0.713 114.923 115.700 -0.106 0.000 2.489 297 S HA -0.068 2.593 4.470 -3.014 0.000 0.228 297 S C 0.331 174.985 174.600 0.089 0.000 0.995 297 S CA 0.001 58.188 58.200 -0.022 0.000 0.934 297 S CB -0.298 62.881 63.200 -0.035 0.000 0.771 297 S HN 0.372 nan 8.310 nan 0.000 0.522 298 H N 1.499 120.674 119.070 0.175 0.000 3.046 298 H HA 0.230 2.979 4.556 -3.012 0.000 0.303 298 H C 1.362 176.784 175.328 0.155 0.000 1.002 298 H CA -0.344 55.814 56.048 0.183 0.000 1.460 298 H CB 0.622 30.564 29.762 0.299 0.000 1.493 298 H HN 0.254 nan 8.280 nan 0.000 0.559 299 R N 2.608 123.220 120.500 0.186 0.000 2.093 299 R HA 0.054 2.585 4.340 -3.014 0.000 0.224 299 R C 0.187 176.530 176.300 0.071 0.000 1.101 299 R CA 1.016 57.176 56.100 0.100 0.000 0.979 299 R CB 0.336 30.630 30.300 -0.009 0.000 0.877 299 R HN 0.599 nan 8.270 nan 0.000 0.441 300 M N 0.805 120.357 119.600 -0.081 0.000 2.400 300 M HA 0.293 2.964 4.480 -3.014 0.000 0.241 300 M C -2.617 173.567 176.300 -0.194 0.000 1.158 300 M CA -1.784 53.297 55.300 -0.364 0.000 0.613 300 M CB 2.492 34.505 32.600 -0.978 0.000 1.615 300 M HN -0.286 nan 8.290 nan 0.000 0.371 301 P HA 0.213 nan 4.420 nan 0.000 0.276 301 P C -0.746 176.470 177.300 -0.140 0.000 1.243 301 P CA -0.220 62.843 63.100 -0.063 0.000 0.768 301 P CB 1.002 32.700 31.700 -0.004 0.000 0.856 302 V N 5.630 125.377 119.914 -0.278 0.000 2.409 302 V HA 0.293 2.605 4.120 -3.014 0.000 0.290 302 V C -0.068 175.839 176.094 -0.311 0.000 1.017 302 V CA -0.572 61.578 62.300 -0.251 0.000 0.841 302 V CB 1.321 33.001 31.823 -0.238 0.000 1.003 302 V HN 0.378 nan 8.190 nan 0.000 0.426 303 I N 4.108 124.489 120.570 -0.315 0.000 2.331 303 I HA 0.341 2.703 4.170 -3.014 0.000 0.292 303 I C 0.992 177.013 176.117 -0.160 0.000 0.998 303 I CA -0.192 60.910 61.300 -0.331 0.000 1.267 303 I CB 1.695 39.454 38.000 -0.401 0.000 1.386 303 I HN 0.709 nan 8.210 nan 0.000 0.476 304 T N 4.575 119.056 114.554 -0.122 0.000 2.919 304 T HA 0.245 2.786 4.350 -3.014 0.000 0.302 304 T C -1.545 173.137 174.700 -0.029 0.000 1.031 304 T CA -1.126 60.935 62.100 -0.064 0.000 1.127 304 T CB 1.134 69.970 68.868 -0.053 0.000 0.952 304 T HN 0.482 nan 8.240 nan 0.000 0.540 305 P HA 0.145 nan 4.420 nan 0.000 0.224 305 P C 0.500 177.817 177.300 0.029 0.000 1.157 305 P CA 0.272 63.376 63.100 0.007 0.000 0.799 305 P CB -0.059 31.637 31.700 -0.006 0.000 0.809 306 A N 0.254 123.084 122.820 0.016 0.000 2.401 306 A HA 0.163 2.675 4.320 -3.014 0.000 0.259 306 A C -0.437 177.187 177.584 0.066 0.000 1.103 306 A CA -0.432 51.627 52.037 0.037 0.000 0.789 306 A CB -0.661 18.340 19.000 0.001 0.000 1.035 306 A HN 0.149 nan 8.150 nan 0.000 0.491 307 Y N 4.840 125.139 120.300 -0.003 0.000 2.712 307 Y HA 0.309 3.049 4.550 -3.017 0.000 0.333 307 Y C -1.914 173.985 175.900 -0.003 0.000 1.225 307 Y CA -1.157 56.948 58.100 0.008 0.000 1.499 307 Y CB 0.550 39.014 38.460 0.006 0.000 1.288 307 Y HN 0.481 nan 8.280 nan 0.000 0.575 308 P HA 0.167 nan 4.420 nan 0.000 0.297 308 P C -0.971 176.199 177.300 -0.216 0.000 1.319 308 P CA -0.468 62.169 63.100 -0.772 0.000 0.810 308 P CB 1.385 32.548 31.700 -0.894 0.000 0.947 309 S N 3.528 119.204 115.700 -0.040 0.000 2.546 309 S HA 0.266 2.927 4.470 -3.014 0.000 0.290 309 S C 0.641 175.294 174.600 0.089 0.000 1.290 309 S CA 0.125 58.353 58.200 0.046 0.000 1.069 309 S CB -0.479 62.793 63.200 0.120 0.000 0.846 309 S HN 0.486 nan 8.310 nan 0.000 0.495 310 M N 1.319 120.942 119.600 0.039 0.000 2.667 310 M HA 0.575 3.246 4.480 -3.014 0.000 0.286 310 M C -0.857 175.394 176.300 -0.082 0.000 1.270 310 M CA -0.911 54.435 55.300 0.077 0.000 0.826 310 M CB 1.374 34.005 32.600 0.053 0.000 1.743 310 M HN 0.425 nan 8.290 nan 0.000 0.460 311 C N 1.963 121.210 119.300 -0.087 0.000 2.373 311 C HA 0.736 3.388 4.460 -3.014 0.000 0.354 311 C C 1.465 176.350 174.990 -0.175 0.000 1.249 311 C CA 0.231 59.062 59.018 -0.312 0.000 1.784 311 C CB -0.356 27.150 27.740 -0.391 0.000 2.408 311 C HN 0.940 nan 8.230 nan 0.000 0.542 312 A N 3.793 126.472 122.820 -0.235 0.000 2.208 312 A HA 0.096 2.607 4.320 -3.014 0.000 0.209 312 A C 1.576 178.938 177.584 -0.370 0.000 1.161 312 A CA 1.314 53.212 52.037 -0.231 0.000 0.782 312 A CB -0.323 18.559 19.000 -0.197 0.000 0.816 312 A HN 1.059 nan 8.150 nan 0.000 0.477 313 T N -3.048 111.261 114.554 -0.408 0.000 3.296 313 T HA 0.219 2.761 4.350 -3.014 0.000 0.285 313 T C 0.954 175.389 174.700 -0.442 0.000 1.014 313 T CA 0.316 62.147 62.100 -0.449 0.000 0.920 313 T CB -0.867 67.754 68.868 -0.411 0.000 1.143 313 T HN 0.708 nan 8.240 nan 0.000 0.522 314 H N 0.988 119.814 119.070 -0.406 0.000 2.460 314 H HA 0.011 2.759 4.556 -3.013 0.000 0.297 314 H C 1.641 176.867 175.328 -0.171 0.000 1.103 314 H CA 1.508 57.309 56.048 -0.411 0.000 1.292 314 H CB -0.597 28.918 29.762 -0.412 0.000 1.376 314 H HN 0.249 nan 8.280 nan 0.000 0.531 315 N N 0.562 119.061 118.700 -0.334 0.000 2.550 315 N HA 0.033 2.965 4.740 -3.014 0.000 0.186 315 N C 0.042 175.433 175.510 -0.198 0.000 1.110 315 N CA 0.255 53.188 53.050 -0.194 0.000 0.912 315 N CB -0.011 38.311 38.487 -0.276 0.000 0.968 315 N HN 0.431 nan 8.380 nan 0.000 0.448 316 I N 1.342 121.770 120.570 -0.237 0.000 2.683 316 I HA -0.073 2.288 4.170 -3.014 0.000 0.286 316 I C 1.190 177.196 176.117 -0.186 0.000 1.175 316 I CA 0.212 61.351 61.300 -0.270 0.000 1.429 316 I CB 0.472 38.291 38.000 -0.303 0.000 1.371 316 I HN 0.094 nan 8.210 nan 0.000 0.569 317 T N 1.029 115.453 114.554 -0.216 0.000 2.870 317 T HA 0.233 2.775 4.350 -3.014 0.000 0.277 317 T C 0.865 175.484 174.700 -0.134 0.000 1.000 317 T CA -0.659 61.356 62.100 -0.142 0.000 0.982 317 T CB 1.655 70.442 68.868 -0.134 0.000 1.249 317 T HN 0.703 nan 8.240 nan 0.000 0.589 318 E N 0.269 120.416 120.200 -0.089 0.000 2.051 318 E HA -0.138 2.403 4.350 -3.014 0.000 0.192 318 E C 2.033 178.579 176.600 -0.090 0.000 0.991 318 E CA 1.597 57.955 56.400 -0.070 0.000 0.799 318 E CB -0.324 29.352 29.700 -0.041 0.000 0.748 318 E HN 0.616 nan 8.360 nan 0.000 0.449 319 S N -0.097 115.539 115.700 -0.106 0.000 2.355 319 S HA -0.154 2.508 4.470 -3.014 0.000 0.222 319 S C 2.203 176.700 174.600 -0.171 0.000 1.031 319 S CA 1.659 59.792 58.200 -0.111 0.000 0.993 319 S CB -0.523 62.620 63.200 -0.094 0.000 0.859 319 S HN 0.623 nan 8.310 nan 0.000 0.453 320 T N 0.914 115.304 114.554 -0.273 0.000 2.867 320 T HA -0.037 2.505 4.350 -3.014 0.000 0.268 320 T C 1.667 176.200 174.700 -0.280 0.000 1.057 320 T CA 1.361 63.195 62.100 -0.444 0.000 1.136 320 T CB -0.335 67.937 68.868 -0.994 0.000 0.874 320 T HN 0.375 nan 8.240 nan 0.000 0.466 321 K N 1.405 121.658 120.400 -0.244 0.000 2.044 321 K HA -0.194 2.318 4.320 -3.014 0.000 0.210 321 K C 2.403 178.924 176.600 -0.132 0.000 1.049 321 K CA 1.546 57.706 56.287 -0.211 0.000 0.927 321 K CB -0.183 32.206 32.500 -0.186 0.000 0.713 321 K HN 0.349 nan 8.250 nan 0.000 0.443 322 K N 0.142 120.492 120.400 -0.084 0.000 2.063 322 K HA -0.131 2.381 4.320 -3.014 0.000 0.208 322 K C 2.068 178.655 176.600 -0.022 0.000 1.048 322 K CA 1.634 57.903 56.287 -0.030 0.000 0.928 322 K CB -0.111 32.382 32.500 -0.013 0.000 0.713 322 K HN 0.027 nan 8.250 nan 0.000 0.442 323 V N 1.790 121.678 119.914 -0.044 0.000 2.295 323 V HA -0.252 2.060 4.120 -3.014 0.000 0.246 323 V C 2.200 178.309 176.094 0.023 0.000 1.049 323 V CA 1.679 63.975 62.300 -0.007 0.000 1.024 323 V CB -0.422 31.377 31.823 -0.040 0.000 0.648 323 V HN 0.252 nan 8.190 nan 0.000 0.447 324 I N -0.397 120.171 120.570 -0.002 0.000 2.127 324 I HA -0.290 2.071 4.170 -3.014 0.000 0.241 324 I C 2.390 178.291 176.117 -0.360 0.000 1.075 324 I CA 1.719 62.923 61.300 -0.159 0.000 1.334 324 I CB -0.443 37.403 38.000 -0.257 0.000 1.040 324 I HN 0.234 nan 8.210 nan 0.000 0.405 325 L N 0.000 121.102 121.223 -0.203 0.000 2.042 325 L HA -0.276 2.256 4.340 -3.014 0.000 0.210 325 L C 2.725 179.680 176.870 0.143 0.000 1.076 325 L CA 1.494 56.347 54.840 0.021 0.000 0.749 325 L CB -0.605 41.531 42.059 0.129 0.000 0.893 325 L HN 0.382 nan 8.230 nan 0.000 0.432 326 Q N -0.105 119.754 119.800 0.097 0.000 2.061 326 Q HA -0.245 2.287 4.340 -3.014 0.000 0.204 326 Q C 2.096 178.202 176.000 0.178 0.000 0.984 326 Q CA 1.636 57.515 55.803 0.126 0.000 0.846 326 Q CB 0.142 28.936 28.738 0.092 0.000 0.902 326 Q HN 0.370 nan 8.270 nan 0.000 0.421 327 E N -0.175 120.138 120.200 0.188 0.000 2.150 327 E HA -0.137 2.405 4.350 -3.014 0.000 0.193 327 E C 1.790 178.768 176.600 0.630 0.000 0.985 327 E CA 0.854 57.459 56.400 0.342 0.000 0.814 327 E CB -0.275 29.575 29.700 0.249 0.000 0.752 327 E HN 0.509 nan 8.360 nan 0.000 0.466 328 F N 0.410 120.661 119.950 0.502 0.000 2.134 328 F HA -0.190 2.528 4.527 -3.014 0.000 0.299 328 F C 2.408 178.332 175.800 0.208 0.000 1.097 328 F CA 0.358 58.631 58.000 0.455 0.000 1.264 328 F CB -0.061 39.206 39.000 0.445 0.000 1.001 328 F HN -0.105 nan 8.300 nan 0.000 0.479 329 V N 0.310 120.447 119.914 0.371 0.000 2.343 329 V HA -0.294 2.017 4.120 -3.014 0.000 0.247 329 V C 2.325 178.473 176.094 0.091 0.000 1.051 329 V CA 1.843 64.264 62.300 0.202 0.000 1.036 329 V CB -0.725 31.201 31.823 0.172 0.000 0.654 329 V HN 0.275 nan 8.190 nan 0.000 0.451 330 R N 0.411 120.965 120.500 0.090 0.000 2.091 330 R HA -0.152 2.380 4.340 -3.014 0.000 0.238 330 R C 2.365 178.581 176.300 -0.139 0.000 1.136 330 R CA 1.853 57.964 56.100 0.018 0.000 0.959 330 R CB -0.781 29.567 30.300 0.081 0.000 0.856 330 R HN 0.534 nan 8.270 nan 0.000 0.437 331 G N 0.094 108.687 108.800 -0.345 0.000 2.440 331 G HA2 -0.221 1.931 3.960 -3.014 0.000 0.218 331 G HA3 -0.221 1.931 3.960 -3.014 0.000 0.218 331 G C 1.415 175.913 174.900 -0.671 0.000 1.154 331 G CA 0.954 45.337 45.100 -1.195 0.000 0.767 331 G HN 0.232 nan 8.290 nan 0.000 0.552 332 V N 0.621 120.399 119.914 -0.227 0.000 2.255 332 V HA -0.257 2.054 4.120 -3.014 0.000 0.247 332 V C 2.760 178.817 176.094 -0.062 0.000 1.051 332 V CA 2.373 64.657 62.300 -0.026 0.000 1.018 332 V CB -0.645 31.211 31.823 0.055 0.000 0.641 332 V HN 0.435 nan 8.190 nan 0.000 0.445 333 Q N 0.302 120.066 119.800 -0.060 0.000 2.045 333 Q HA -0.211 2.321 4.340 -3.014 0.000 0.206 333 Q C 1.930 177.881 176.000 -0.082 0.000 0.991 333 Q CA 2.324 58.096 55.803 -0.052 0.000 0.851 333 Q CB -0.512 28.206 28.738 -0.032 0.000 0.911 333 Q HN 0.666 nan 8.270 nan 0.000 0.418 334 I N -0.138 120.357 120.570 -0.126 0.000 2.286 334 I HA -0.230 2.132 4.170 -3.014 0.000 0.245 334 I C 2.310 178.325 176.117 -0.169 0.000 1.104 334 I CA 1.559 62.772 61.300 -0.146 0.000 1.397 334 I CB -0.746 37.159 38.000 -0.159 0.000 1.072 334 I HN 0.425 nan 8.210 nan 0.000 0.417 335 T N -1.903 112.559 114.554 -0.154 0.000 2.867 335 T HA -0.145 2.397 4.350 -3.014 0.000 0.268 335 T C 1.513 176.196 174.700 -0.028 0.000 1.057 335 T CA 1.660 63.706 62.100 -0.090 0.000 1.136 335 T CB -0.854 68.056 68.868 0.069 0.000 0.874 335 T HN 0.378 nan 8.240 nan 0.000 0.466 336 N N 1.447 120.110 118.700 -0.061 0.000 2.069 336 N HA -0.128 2.803 4.740 -3.014 0.000 0.191 336 N C 1.556 177.068 175.510 0.004 0.000 1.031 336 N CA 1.496 54.525 53.050 -0.035 0.000 0.852 336 N CB -0.206 38.255 38.487 -0.042 0.000 1.018 336 N HN 0.370 nan 8.380 nan 0.000 0.423 337 D N 0.711 121.085 120.400 -0.045 0.000 2.144 337 D HA -0.076 2.756 4.640 -3.014 0.000 0.199 337 D C 1.891 178.134 176.300 -0.096 0.000 0.984 337 D CA 0.690 54.654 54.000 -0.061 0.000 0.834 337 D CB -0.168 40.586 40.800 -0.078 0.000 0.955 337 D HN 0.322 nan 8.370 nan 0.000 0.465 338 I N -0.102 120.370 120.570 -0.163 0.000 2.226 338 I HA -0.252 2.110 4.170 -3.014 0.000 0.245 338 I C 1.931 177.925 176.117 -0.205 0.000 1.100 338 I CA 0.704 61.817 61.300 -0.312 0.000 1.374 338 I CB -0.177 37.388 38.000 -0.726 0.000 1.057 338 I HN -0.108 nan 8.210 nan 0.000 0.413 339 F N 0.978 120.795 119.950 -0.223 0.000 2.269 339 F HA -0.186 2.531 4.527 -3.017 0.000 0.301 339 F C 2.683 178.431 175.800 -0.086 0.000 1.082 339 F CA 1.449 59.377 58.000 -0.120 0.000 1.360 339 F CB -0.581 38.374 39.000 -0.075 0.000 1.041 339 F HN 0.124 nan 8.300 nan 0.000 0.512 340 S N -0.980 114.756 115.700 0.059 0.000 2.597 340 S HA 0.094 2.756 4.470 -3.014 0.000 0.224 340 S C 0.359 174.940 174.600 -0.033 0.000 0.955 340 S CA 0.128 58.337 58.200 0.014 0.000 0.933 340 S CB -1.067 62.142 63.200 0.015 0.000 0.788 340 S HN 0.527 nan 8.310 nan 0.000 0.488 341 N N 0.798 119.454 118.700 -0.074 0.000 2.741 341 N HA -0.162 2.770 4.740 -3.014 0.000 0.250 341 N C 0.498 175.962 175.510 -0.076 0.000 1.115 341 N CA 1.142 54.138 53.050 -0.091 0.000 0.724 341 N CB -1.254 37.190 38.487 -0.071 0.000 1.090 341 N HN 0.537 nan 8.380 nan 0.000 0.558 342 K N -0.185 120.168 120.400 -0.077 0.000 2.334 342 K HA 0.195 2.707 4.320 -3.014 0.000 0.195 342 K C 0.428 176.979 176.600 -0.081 0.000 1.045 342 K CA 0.646 56.894 56.287 -0.066 0.000 1.004 342 K CB 0.434 32.903 32.500 -0.051 0.000 0.837 342 K HN 0.185 nan 8.250 nan 0.000 0.510 343 K N 0.270 120.598 120.400 -0.120 0.000 2.466 343 K HA 0.280 2.792 4.320 -3.014 0.000 0.260 343 K C -0.853 175.626 176.600 -0.202 0.000 1.011 343 K CA -0.688 55.517 56.287 -0.136 0.000 0.871 343 K CB 2.224 34.640 32.500 -0.140 0.000 1.404 343 K HN -0.035 nan 8.250 nan 0.000 0.450 344 S N -1.297 114.295 115.700 -0.179 0.000 2.704 344 S HA 0.304 2.965 4.470 -3.014 0.000 0.305 344 S C 0.451 174.913 174.600 -0.230 0.000 1.107 344 S CA -0.795 57.291 58.200 -0.190 0.000 0.993 344 S CB 0.537 63.715 63.200 -0.038 0.000 1.110 344 S HN 0.782 nan 8.310 nan 0.000 0.534 345 W N 0.588 121.860 121.300 -0.045 0.000 2.342 345 W HA -0.042 2.813 4.660 -3.008 0.000 0.297 345 W C 2.773 179.214 176.519 -0.129 0.000 1.213 345 W CA 1.043 58.319 57.345 -0.115 0.000 1.251 345 W CB -0.569 28.909 29.460 0.030 0.000 1.136 345 W HN 0.910 nan 8.180 nan 0.000 0.526 346 A N 0.785 123.761 122.820 0.261 0.000 1.948 346 A HA -0.304 2.208 4.320 -3.014 0.000 0.220 346 A C 1.605 179.268 177.584 0.132 0.000 1.177 346 A CA 2.251 54.440 52.037 0.253 0.000 0.636 346 A CB -1.194 17.916 19.000 0.183 0.000 0.815 346 A HN 0.529 nan 8.150 nan 0.000 0.449 347 N N -0.634 118.083 118.700 0.028 0.000 2.104 347 N HA -0.155 2.777 4.740 -3.014 0.000 0.190 347 N C 1.596 177.087 175.510 -0.031 0.000 1.024 347 N CA 1.279 54.323 53.050 -0.011 0.000 0.853 347 N CB -0.257 38.195 38.487 -0.058 0.000 1.008 347 N HN 0.417 nan 8.380 nan 0.000 0.424 348 L N 0.100 121.241 121.223 -0.137 0.000 2.083 348 L HA -0.048 2.483 4.340 -3.014 0.000 0.209 348 L C 0.895 177.758 176.870 -0.012 0.000 1.083 348 L CA 1.627 56.363 54.840 -0.174 0.000 0.752 348 L CB -0.310 41.527 42.059 -0.369 0.000 0.899 348 L HN 0.169 nan 8.230 nan 0.000 0.433 349 F N -0.659 119.424 119.950 0.222 0.000 2.732 349 F HA 0.184 2.899 4.527 -3.020 0.000 0.303 349 F C 1.004 176.859 175.800 0.092 0.000 1.110 349 F CA -0.679 57.427 58.000 0.176 0.000 1.355 349 F CB -0.208 38.875 39.000 0.139 0.000 1.081 349 F HN -0.005 nan 8.300 nan 0.000 0.565 350 E N 2.362 122.687 120.200 0.209 0.000 2.452 350 E HA -0.046 2.496 4.350 -3.014 0.000 0.261 350 E C 0.403 177.063 176.600 0.099 0.000 0.987 350 E CA -0.025 56.452 56.400 0.127 0.000 0.926 350 E CB 0.618 30.364 29.700 0.077 0.000 0.934 350 E HN 0.111 nan 8.360 nan 0.000 0.452 351 K N 3.168 123.618 120.400 0.084 0.000 2.414 351 K HA -0.050 2.462 4.320 -3.014 0.000 0.272 351 K C 0.066 176.715 176.600 0.083 0.000 0.993 351 K CA -0.143 56.191 56.287 0.078 0.000 0.964 351 K CB 0.338 32.894 32.500 0.093 0.000 0.925 351 K HN 0.527 nan 8.250 nan 0.000 0.487 352 N N 1.311 120.067 118.700 0.093 0.000 2.237 352 N HA -0.148 2.783 4.740 -3.014 0.000 0.222 352 N C -0.265 175.349 175.510 0.173 0.000 1.311 352 N CA 0.229 53.354 53.050 0.125 0.000 0.880 352 N CB 0.407 38.997 38.487 0.171 0.000 1.106 352 N HN 0.561 nan 8.380 nan 0.000 0.435 353 D N -0.736 119.770 120.400 0.176 0.000 2.788 353 D HA 0.003 2.835 4.640 -3.014 0.000 0.289 353 D C 0.382 176.829 176.300 0.246 0.000 1.340 353 D CA -0.648 53.498 54.000 0.244 0.000 0.831 353 D CB -0.864 40.002 40.800 0.111 0.000 1.103 353 D HN 0.516 nan 8.370 nan 0.000 0.476 354 F N 1.044 120.983 119.950 -0.018 0.000 2.085 354 F HA -0.181 2.539 4.527 -3.013 0.000 0.299 354 F C 1.061 176.669 175.800 -0.320 0.000 1.096 354 F CA 1.653 59.493 58.000 -0.267 0.000 1.227 354 F CB -0.259 38.401 39.000 -0.566 0.000 0.983 354 F HN -0.021 nan 8.300 nan 0.000 0.482 355 F N -1.688 118.230 119.950 -0.052 0.000 2.811 355 F HA 0.040 2.758 4.527 -3.014 0.000 0.301 355 F C 1.206 176.747 175.800 -0.431 0.000 1.151 355 F CA 0.186 57.903 58.000 -0.471 0.000 1.412 355 F CB -0.472 37.983 39.000 -0.907 0.000 1.113 355 F HN -0.061 nan 8.300 nan 0.000 0.579 356 F N -0.331 119.651 119.950 0.053 0.000 2.727 356 F HA 0.150 2.868 4.527 -3.015 0.000 0.302 356 F C 2.181 177.933 175.800 -0.080 0.000 1.107 356 F CA -0.094 57.929 58.000 0.038 0.000 1.277 356 F CB -0.029 38.994 39.000 0.038 0.000 1.079 356 F HN -0.172 nan 8.300 nan 0.000 0.594 357 R N -0.934 119.511 120.500 -0.093 0.000 2.280 357 R HA 0.123 2.654 4.340 -3.014 0.000 0.195 357 R C -0.559 175.342 176.300 -0.666 0.000 0.935 357 R CA 0.466 56.336 56.100 -0.384 0.000 1.033 357 R CB -0.384 29.591 30.300 -0.543 0.000 0.964 357 R HN 0.181 nan 8.270 nan 0.000 0.489 358 Y N -0.412 119.768 120.300 -0.201 0.000 2.509 358 Y HA 0.436 3.177 4.550 -3.015 0.000 0.341 358 Y C 1.337 177.055 175.900 -0.302 0.000 1.038 358 Y CA -0.542 57.334 58.100 -0.372 0.000 1.089 358 Y CB 1.822 39.785 38.460 -0.829 0.000 1.241 358 Y HN -0.102 nan 8.280 nan 0.000 0.468 359 K N 1.627 121.898 120.400 -0.215 0.000 2.305 359 K HA 0.239 2.750 4.320 -3.014 0.000 0.199 359 K C -0.408 175.708 176.600 -0.806 0.000 1.047 359 K CA 1.071 57.026 56.287 -0.553 0.000 0.976 359 K CB -0.271 31.742 32.500 -0.813 0.000 0.765 359 K HN 0.563 nan 8.250 nan 0.000 0.474 360 F N -1.204 118.686 119.950 -0.100 0.000 2.565 360 F HA 0.652 3.370 4.527 -3.014 0.000 0.313 360 F C -0.827 174.658 175.800 -0.525 0.000 1.091 360 F CA -1.594 56.273 58.000 -0.223 0.000 0.915 360 F CB 2.048 41.057 39.000 0.016 0.000 1.208 360 F HN 0.003 nan 8.300 nan 0.000 0.453 361 Y N 2.033 122.255 120.300 -0.130 0.000 2.477 361 Y HA 0.590 3.331 4.550 -3.015 0.000 0.347 361 Y C -1.035 174.839 175.900 -0.043 0.000 0.981 361 Y CA -1.158 56.920 58.100 -0.036 0.000 1.033 361 Y CB 2.014 40.520 38.460 0.076 0.000 1.245 361 Y HN 0.451 nan 8.280 nan 0.000 0.455 362 L N 3.596 124.943 121.223 0.208 0.000 2.265 362 L HA 0.487 3.018 4.340 -3.014 0.000 0.289 362 L C -0.558 176.382 176.870 0.115 0.000 1.033 362 L CA -0.427 54.517 54.840 0.173 0.000 0.814 362 L CB 0.659 42.806 42.059 0.147 0.000 1.203 362 L HN 0.609 nan 8.230 nan 0.000 0.423 363 E N 6.251 126.466 120.200 0.026 0.000 2.249 363 E HA 0.424 2.965 4.350 -3.014 0.000 0.280 363 E C -0.944 175.590 176.600 -0.109 0.000 1.016 363 E CA -0.317 55.962 56.400 -0.202 0.000 0.830 363 E CB 1.900 31.451 29.700 -0.249 0.000 1.081 363 E HN 0.532 nan 8.360 nan 0.000 0.395 364 I N 2.471 122.943 120.570 -0.164 0.000 2.420 364 I HA 0.182 2.543 4.170 -3.014 0.000 0.282 364 I C -0.594 175.493 176.117 -0.048 0.000 1.019 364 I CA -0.377 60.891 61.300 -0.053 0.000 1.130 364 I CB 1.761 39.713 38.000 -0.081 0.000 1.262 364 I HN 0.332 nan 8.210 nan 0.000 0.454 365 T N 5.223 119.780 114.554 0.005 0.000 2.786 365 T HA 0.587 3.128 4.350 -3.014 0.000 0.283 365 T C -0.022 174.581 174.700 -0.161 0.000 0.992 365 T CA -0.511 61.518 62.100 -0.118 0.000 0.954 365 T CB 1.501 70.278 68.868 -0.153 0.000 0.934 365 T HN 0.586 nan 8.240 nan 0.000 0.440 366 A N 3.915 126.625 122.820 -0.184 0.000 2.252 366 A HA 0.680 3.192 4.320 -3.014 0.000 0.309 366 A C -1.019 176.644 177.584 0.132 0.000 1.285 366 A CA -0.499 51.481 52.037 -0.096 0.000 0.900 366 A CB -0.024 18.728 19.000 -0.412 0.000 1.157 366 A HN 0.806 nan 8.150 nan 0.000 0.536 367 Y N 1.035 121.649 120.300 0.522 0.000 2.361 367 Y HA 0.613 3.355 4.550 -3.013 0.000 0.332 367 Y C 0.741 177.072 175.900 0.718 0.000 1.101 367 Y CA -0.235 58.193 58.100 0.547 0.000 1.137 367 Y CB 2.273 41.037 38.460 0.507 0.000 1.207 367 Y HN 0.562 nan 8.280 nan 0.000 0.463 368 T N 3.273 118.181 114.554 0.591 0.000 2.916 368 T HA 0.434 2.975 4.350 -3.014 0.000 0.298 368 T C -1.036 173.616 174.700 -0.081 0.000 1.031 368 T CA -0.986 61.322 62.100 0.346 0.000 0.993 368 T CB 1.424 70.638 68.868 0.576 0.000 1.045 368 T HN 0.505 nan 8.240 nan 0.000 0.454 369 R N 1.764 122.031 120.500 -0.388 0.000 2.310 369 R HA 0.652 3.184 4.340 -3.014 0.000 0.316 369 R C 0.235 176.358 176.300 -0.295 0.000 1.004 369 R CA -0.013 55.756 56.100 -0.552 0.000 0.900 369 R CB 0.045 29.764 30.300 -0.968 0.000 1.152 369 R HN 0.973 nan 8.270 nan 0.000 0.513 370 G N 0.986 109.716 108.800 -0.118 0.000 2.566 370 G HA2 -0.000 2.151 3.960 -3.014 0.000 0.138 370 G HA3 -0.000 2.151 3.960 -3.014 0.000 0.138 370 G C -1.197 173.827 174.900 0.206 0.000 1.133 370 G CA -0.206 44.889 45.100 -0.010 0.000 1.037 370 G HN 0.533 nan 8.290 nan 0.000 0.491 371 S N 0.602 116.412 115.700 0.184 0.000 2.617 371 S HA 0.417 3.079 4.470 -3.014 0.000 0.269 371 S C 1.245 175.920 174.600 0.125 0.000 1.292 371 S CA 0.792 59.110 58.200 0.197 0.000 1.010 371 S CB 1.663 64.925 63.200 0.103 0.000 0.944 371 S HN 0.891 nan 8.310 nan 0.000 0.536 372 D N 0.735 121.133 120.400 -0.004 0.000 2.190 372 D HA -0.266 2.565 4.640 -3.014 0.000 0.200 372 D C 1.338 177.541 176.300 -0.161 0.000 0.992 372 D CA 1.584 55.373 54.000 -0.352 0.000 0.854 372 D CB -0.459 40.258 40.800 -0.138 0.000 0.936 372 D HN 0.823 nan 8.370 nan 0.000 0.462 373 E N 0.472 120.664 120.200 -0.014 0.000 2.017 373 E HA -0.248 2.294 4.350 -3.014 0.000 0.193 373 E C 2.167 178.836 176.600 0.114 0.000 0.997 373 E CA 1.461 57.887 56.400 0.044 0.000 0.804 373 E CB 0.054 29.790 29.700 0.060 0.000 0.757 373 E HN 0.376 nan 8.360 nan 0.000 0.448 374 Q N -0.534 119.377 119.800 0.185 0.000 2.291 374 Q HA -0.163 2.369 4.340 -3.014 0.000 0.205 374 Q C 2.009 178.310 176.000 0.500 0.000 0.970 374 Q CA 1.617 57.642 55.803 0.369 0.000 0.876 374 Q CB -0.510 28.516 28.738 0.480 0.000 0.935 374 Q HN 0.425 nan 8.270 nan 0.000 0.455 375 H N 0.297 119.485 119.070 0.197 0.000 2.333 375 H HA -0.028 2.720 4.556 -3.014 0.000 0.302 375 H C 1.403 176.804 175.328 0.121 0.000 1.075 375 H CA 1.018 57.179 56.048 0.189 0.000 1.348 375 H CB 0.261 29.942 29.762 -0.134 0.000 1.393 375 H HN 0.230 nan 8.280 nan 0.000 0.509 376 L N 1.762 122.950 121.223 -0.058 0.000 2.043 376 L HA -0.197 2.335 4.340 -3.014 0.000 0.212 376 L C 2.651 179.499 176.870 -0.036 0.000 1.075 376 L CA 1.669 56.451 54.840 -0.097 0.000 0.752 376 L CB -0.948 41.089 42.059 -0.038 0.000 0.891 376 L HN 0.261 nan 8.230 nan 0.000 0.432 377 K N -1.477 118.975 120.400 0.086 0.000 2.025 377 K HA -0.223 2.288 4.320 -3.014 0.000 0.207 377 K C 2.302 179.007 176.600 0.174 0.000 1.049 377 K CA 1.311 57.685 56.287 0.145 0.000 0.933 377 K CB -0.382 32.251 32.500 0.221 0.000 0.714 377 K HN 0.443 nan 8.250 nan 0.000 0.438 378 W N 0.980 122.281 121.300 0.002 0.000 2.353 378 W HA -0.196 2.656 4.660 -3.013 0.000 0.319 378 W C 1.822 178.190 176.519 -0.251 0.000 1.207 378 W CA 1.355 58.587 57.345 -0.188 0.000 1.291 378 W CB -0.219 29.329 29.460 0.146 0.000 1.159 378 W HN 0.080 nan 8.180 nan 0.000 0.478 379 S N 0.665 116.148 115.700 -0.362 0.000 2.368 379 S HA -0.139 2.522 4.470 -3.014 0.000 0.225 379 S C 1.961 176.365 174.600 -0.328 0.000 1.030 379 S CA 1.482 59.378 58.200 -0.506 0.000 0.999 379 S CB -1.103 61.745 63.200 -0.587 0.000 0.844 379 S HN 0.523 nan 8.310 nan 0.000 0.459 380 G N 1.876 110.542 108.800 -0.223 0.000 2.476 380 G HA2 -0.238 1.913 3.960 -3.014 0.000 0.218 380 G HA3 -0.238 1.913 3.960 -3.014 0.000 0.218 380 G C 1.401 176.185 174.900 -0.194 0.000 1.164 380 G CA 1.229 46.236 45.100 -0.154 0.000 0.768 380 G HN 0.431 nan 8.290 nan 0.000 0.560 381 L N 0.594 121.672 121.223 -0.243 0.000 1.994 381 L HA -0.025 2.506 4.340 -3.014 0.000 0.208 381 L C 2.985 179.602 176.870 -0.422 0.000 1.071 381 L CA 1.610 56.245 54.840 -0.342 0.000 0.745 381 L CB -0.616 41.233 42.059 -0.350 0.000 0.892 381 L HN 0.086 nan 8.230 nan 0.000 0.431 382 V N -0.119 119.461 119.914 -0.556 0.000 2.332 382 V HA -0.316 1.996 4.120 -3.014 0.000 0.248 382 V C 2.524 178.548 176.094 -0.117 0.000 1.055 382 V CA 2.163 64.177 62.300 -0.477 0.000 1.038 382 V CB -0.730 30.675 31.823 -0.696 0.000 0.651 382 V HN 0.519 nan 8.190 nan 0.000 0.450 383 E N 0.570 120.708 120.200 -0.103 0.000 2.077 383 E HA -0.208 2.333 4.350 -3.014 0.000 0.193 383 E C 2.330 178.967 176.600 0.061 0.000 0.989 383 E CA 1.622 58.080 56.400 0.097 0.000 0.800 383 E CB -0.291 29.459 29.700 0.083 0.000 0.746 383 E HN 0.728 nan 8.360 nan 0.000 0.452 384 S N 0.492 116.138 115.700 -0.090 0.000 2.469 384 S HA -0.095 2.566 4.470 -3.014 0.000 0.238 384 S C 1.558 176.125 174.600 -0.056 0.000 0.998 384 S CA 0.819 58.946 58.200 -0.122 0.000 0.957 384 S CB 0.053 63.146 63.200 -0.178 0.000 0.764 384 S HN 0.020 nan 8.310 nan 0.000 0.514 385 K N 0.733 121.142 120.400 0.016 0.000 2.353 385 K HA 0.357 2.869 4.320 -3.014 0.000 0.195 385 K C 1.819 178.635 176.600 0.359 0.000 1.031 385 K CA 0.290 56.664 56.287 0.145 0.000 1.079 385 K CB -0.454 32.062 32.500 0.026 0.000 0.857 385 K HN 0.331 nan 8.250 nan 0.000 0.535 386 V N 3.062 123.155 119.914 0.298 0.000 2.332 386 V HA -0.272 2.040 4.120 -3.014 0.000 0.248 386 V C 2.428 178.569 176.094 0.079 0.000 1.055 386 V CA 1.885 64.269 62.300 0.140 0.000 1.038 386 V CB -0.452 31.483 31.823 0.188 0.000 0.651 386 V HN 0.333 nan 8.190 nan 0.000 0.450 387 R N 0.852 121.432 120.500 0.133 0.000 2.120 387 R HA -0.110 2.421 4.340 -3.014 0.000 0.234 387 R C 2.059 178.379 176.300 0.034 0.000 1.123 387 R CA 1.493 57.631 56.100 0.063 0.000 0.975 387 R CB -1.416 28.904 30.300 0.034 0.000 0.866 387 R HN 0.448 nan 8.270 nan 0.000 0.446 388 L N 0.685 121.950 121.223 0.071 0.000 2.046 388 L HA -0.137 2.394 4.340 -3.014 0.000 0.208 388 L C 2.529 179.436 176.870 0.062 0.000 1.077 388 L CA 0.864 55.751 54.840 0.080 0.000 0.747 388 L CB -0.601 41.536 42.059 0.129 0.000 0.896 388 L HN 0.102 nan 8.230 nan 0.000 0.432 389 L N -0.483 120.757 121.223 0.028 0.000 2.093 389 L HA -0.123 2.408 4.340 -3.014 0.000 0.208 389 L C 2.376 179.196 176.870 -0.082 0.000 1.085 389 L CA 1.470 56.257 54.840 -0.088 0.000 0.755 389 L CB -0.320 41.472 42.059 -0.445 0.000 0.904 389 L HN -0.095 nan 8.230 nan 0.000 0.435 390 V N -0.387 119.485 119.914 -0.071 0.000 2.332 390 V HA -0.354 1.958 4.120 -3.014 0.000 0.248 390 V C 2.568 178.632 176.094 -0.050 0.000 1.055 390 V CA 2.342 64.607 62.300 -0.059 0.000 1.038 390 V CB -0.538 31.259 31.823 -0.043 0.000 0.651 390 V HN 0.456 nan 8.190 nan 0.000 0.450 391 M N -1.108 118.473 119.600 -0.031 0.000 2.175 391 M HA -0.126 2.546 4.480 -3.014 0.000 0.264 391 M C 2.320 178.609 176.300 -0.018 0.000 1.063 391 M CA 1.483 56.769 55.300 -0.024 0.000 1.119 391 M CB -0.354 32.242 32.600 -0.007 0.000 1.377 391 M HN 0.179 nan 8.290 nan 0.000 0.415 392 K N 0.710 121.104 120.400 -0.011 0.000 2.025 392 K HA -0.006 2.505 4.320 -3.014 0.000 0.207 392 K C 1.905 178.489 176.600 -0.026 0.000 1.049 392 K CA 1.256 57.538 56.287 -0.008 0.000 0.933 392 K CB -0.728 31.778 32.500 0.010 0.000 0.714 392 K HN 0.370 nan 8.250 nan 0.000 0.438 393 L N 1.474 122.671 121.223 -0.044 0.000 2.046 393 L HA -0.178 2.353 4.340 -3.014 0.000 0.208 393 L C 2.544 179.370 176.870 -0.073 0.000 1.077 393 L CA 1.525 56.328 54.840 -0.062 0.000 0.747 393 L CB -0.619 41.392 42.059 -0.081 0.000 0.896 393 L HN 0.340 nan 8.230 nan 0.000 0.432 394 E N -0.240 119.918 120.200 -0.070 0.000 2.333 394 E HA -0.189 2.352 4.350 -3.014 0.000 0.198 394 E C 1.912 178.481 176.600 -0.052 0.000 1.007 394 E CA 1.172 57.529 56.400 -0.073 0.000 0.845 394 E CB -0.070 29.589 29.700 -0.068 0.000 0.766 394 E HN 0.326 nan 8.360 nan 0.000 0.507 395 V N 1.220 121.112 119.914 -0.037 0.000 3.647 395 V HA 0.173 2.485 4.120 -3.014 0.000 0.279 395 V C 0.709 176.792 176.094 -0.018 0.000 1.314 395 V CA -0.128 62.158 62.300 -0.022 0.000 1.125 395 V CB -0.162 31.653 31.823 -0.013 0.000 0.907 395 V HN 0.191 nan 8.190 nan 0.000 0.434 396 L N 0.501 121.709 121.223 -0.026 0.000 2.456 396 L HA 0.230 2.761 4.340 -3.014 0.000 0.272 396 L C 1.979 178.845 176.870 -0.005 0.000 1.189 396 L CA 0.480 55.311 54.840 -0.015 0.000 0.846 396 L CB 0.577 42.626 42.059 -0.016 0.000 1.111 396 L HN 0.287 nan 8.230 nan 0.000 0.475 397 A N 3.376 126.202 122.820 0.010 0.000 1.903 397 A HA -0.180 2.332 4.320 -3.014 0.000 0.219 397 A C 2.026 179.633 177.584 0.038 0.000 1.191 397 A CA 2.134 54.184 52.037 0.021 0.000 0.638 397 A CB -1.046 17.968 19.000 0.023 0.000 0.823 397 A HN 0.987 nan 8.150 nan 0.000 0.451 398 G N -1.541 107.297 108.800 0.064 0.000 2.744 398 G HA2 0.247 2.399 3.960 -3.014 0.000 0.211 398 G HA3 0.247 2.399 3.960 -3.014 0.000 0.211 398 G C 0.494 175.460 174.900 0.110 0.000 1.143 398 G CA 0.069 45.249 45.100 0.132 0.000 0.788 398 G HN 0.341 nan 8.290 nan 0.000 0.534 399 I N 1.075 121.630 120.570 -0.024 0.000 2.312 399 I HA 0.228 2.589 4.170 -3.014 0.000 0.291 399 I C 1.035 177.080 176.117 -0.120 0.000 1.031 399 I CA -0.319 60.870 61.300 -0.186 0.000 1.293 399 I CB 1.432 39.300 38.000 -0.219 0.000 1.403 399 I HN 0.067 nan 8.210 nan 0.000 0.484 400 K N 6.195 126.521 120.400 -0.125 0.000 2.076 400 K HA 0.192 2.704 4.320 -3.014 0.000 0.204 400 K C 0.412 176.970 176.600 -0.069 0.000 1.051 400 K CA 1.051 57.308 56.287 -0.051 0.000 0.949 400 K CB 0.668 33.173 32.500 0.009 0.000 0.726 400 K HN 0.596 nan 8.250 nan 0.000 0.443 401 I N -0.753 119.736 120.570 -0.136 0.000 2.918 401 I HA 0.352 2.713 4.170 -3.014 0.000 0.301 401 I C -2.060 173.928 176.117 -0.215 0.000 1.312 401 I CA -0.978 60.244 61.300 -0.129 0.000 1.007 401 I CB 2.318 40.286 38.000 -0.054 0.000 1.281 401 I HN 0.012 nan 8.210 nan 0.000 0.440 402 A N 4.991 127.721 122.820 -0.151 0.000 2.409 402 A HA 0.407 2.918 4.320 -3.014 0.000 0.300 402 A C -1.363 176.214 177.584 -0.013 0.000 1.273 402 A CA -0.268 51.685 52.037 -0.141 0.000 0.774 402 A CB 0.098 19.025 19.000 -0.121 0.000 1.144 402 A HN 0.828 nan 8.150 nan 0.000 0.472 403 H N 4.966 123.969 119.070 -0.111 0.000 2.623 403 H HA 0.439 3.186 4.556 -3.014 0.000 0.299 403 H C -2.602 172.894 175.328 0.281 0.000 1.052 403 H CA -2.309 53.811 56.048 0.120 0.000 1.231 403 H CB 1.323 31.195 29.762 0.183 0.000 1.389 403 H HN 0.412 nan 8.280 nan 0.000 0.469 404 P HA 0.008 nan 4.420 nan 0.000 0.280 404 P C -0.456 176.954 177.300 0.183 0.000 1.244 404 P CA -0.219 63.031 63.100 0.251 0.000 0.784 404 P CB 0.978 32.759 31.700 0.135 0.000 0.913 405 F N 2.732 122.435 119.950 -0.412 0.000 2.440 405 F HA 0.103 2.823 4.527 -3.010 0.000 0.323 405 F C 1.803 177.371 175.800 -0.388 0.000 1.192 405 F CA 0.634 58.186 58.000 -0.747 0.000 1.252 405 F CB 0.590 39.064 39.000 -0.878 0.000 1.214 405 F HN 0.362 nan 8.300 nan 0.000 0.578 406 T N -1.133 112.789 114.554 -1.055 0.000 3.044 406 T HA 0.343 2.885 4.350 -3.014 0.000 0.250 406 T C 0.223 174.798 174.700 -0.209 0.000 1.081 406 T CA 0.523 62.359 62.100 -0.440 0.000 1.040 406 T CB -0.418 68.143 68.868 -0.512 0.000 0.962 406 T HN 0.602 nan 8.240 nan 0.000 0.506 407 K N 1.916 122.085 120.400 -0.385 0.000 2.471 407 K HA 0.748 3.259 4.320 -3.014 0.000 0.252 407 K C -3.553 173.046 176.600 -0.003 0.000 0.938 407 K CA -2.306 53.914 56.287 -0.112 0.000 0.796 407 K CB 0.967 33.334 32.500 -0.221 0.000 1.161 407 K HN 0.093 nan 8.250 nan 0.000 0.425 408 P HA 0.414 nan 4.420 nan 0.000 0.275 408 P C -0.863 176.467 177.300 0.049 0.000 1.228 408 P CA -0.416 62.763 63.100 0.131 0.000 0.786 408 P CB 0.210 31.989 31.700 0.131 0.000 0.927 409 F N 1.365 121.413 119.950 0.163 0.000 2.411 409 F HA 0.233 2.952 4.527 -3.012 0.000 0.355 409 F C 1.242 177.094 175.800 0.087 0.000 1.117 409 F CA -0.017 58.065 58.000 0.136 0.000 1.139 409 F CB 0.602 39.707 39.000 0.174 0.000 1.120 409 F HN 0.126 nan 8.300 nan 0.000 0.493 410 E N 2.128 122.430 120.200 0.170 0.000 2.214 410 E HA 0.642 3.183 4.350 -3.014 0.000 0.274 410 E C -0.809 175.836 176.600 0.074 0.000 0.977 410 E CA -0.568 55.902 56.400 0.116 0.000 0.827 410 E CB 2.136 31.887 29.700 0.087 0.000 1.130 410 E HN 0.468 nan 8.360 nan 0.000 0.394 411 S N 0.478 116.193 115.700 0.026 0.000 2.550 411 S HA 0.564 3.225 4.470 -3.014 0.000 0.270 411 S C -1.027 173.506 174.600 -0.111 0.000 1.145 411 S CA -0.637 57.512 58.200 -0.086 0.000 0.852 411 S CB 2.194 65.320 63.200 -0.123 0.000 1.119 411 S HN 0.370 nan 8.310 nan 0.000 0.465 412 S N 0.400 115.936 115.700 -0.273 0.000 2.556 412 S HA 0.842 3.503 4.470 -3.014 0.000 0.271 412 S C -2.176 172.153 174.600 -0.452 0.000 1.135 412 S CA -0.409 57.644 58.200 -0.245 0.000 0.858 412 S CB 0.928 64.067 63.200 -0.101 0.000 1.114 412 S HN 0.606 nan 8.310 nan 0.000 0.468 413 Y N 0.019 120.234 120.300 -0.142 0.000 2.571 413 Y HA 0.350 3.092 4.550 -3.014 0.000 0.341 413 Y C -0.370 175.456 175.900 -0.123 0.000 1.076 413 Y CA -1.084 56.956 58.100 -0.100 0.000 1.029 413 Y CB 1.379 39.800 38.460 -0.065 0.000 1.308 413 Y HN 0.665 nan 8.280 nan 0.000 0.461 414 C N 1.688 121.080 119.300 0.153 0.000 2.610 414 C HA 0.239 2.891 4.460 -3.014 0.000 0.382 414 C C 0.497 175.500 174.990 0.021 0.000 1.287 414 C CA -0.676 58.370 59.018 0.047 0.000 1.640 414 C CB -1.560 26.209 27.740 0.049 0.000 2.335 414 C HN 0.733 nan 8.230 nan 0.000 0.577 415 C N 7.697 126.978 119.300 -0.033 0.000 2.816 415 C HA 0.368 3.019 4.460 -3.014 0.000 0.255 415 C C -0.975 173.982 174.990 -0.055 0.000 1.141 415 C CA -1.259 57.730 59.018 -0.049 0.000 1.554 415 C CB -0.742 26.943 27.740 -0.093 0.000 1.778 415 C HN 0.767 nan 8.230 nan 0.000 0.429 416 P HA -0.024 nan 4.420 nan 0.000 0.212 416 P C 0.671 177.956 177.300 -0.025 0.000 1.180 416 P CA 1.534 64.617 63.100 -0.028 0.000 0.906 416 P CB -0.082 31.607 31.700 -0.017 0.000 0.782 417 T N -4.878 109.668 114.554 -0.012 0.000 2.918 417 T HA 0.566 3.108 4.350 -3.014 0.000 0.283 417 T C 0.985 175.697 174.700 0.020 0.000 1.001 417 T CA 0.256 62.356 62.100 0.001 0.000 1.041 417 T CB 1.076 69.947 68.868 0.005 0.000 1.028 417 T HN 0.348 nan 8.240 nan 0.000 0.511 418 E N -0.115 120.119 120.200 0.057 0.000 4.512 418 E HA -0.305 2.237 4.350 -3.014 0.000 0.162 418 E C 1.027 177.659 176.600 0.054 0.000 1.118 418 E CA 1.839 58.274 56.400 0.058 0.000 2.523 418 E CB -2.586 27.129 29.700 0.025 0.000 1.694 418 E HN 0.837 nan 8.360 nan 0.000 0.524 419 D N 0.546 120.965 120.400 0.033 0.000 2.290 419 D HA 0.004 2.836 4.640 -3.014 0.000 0.224 419 D C 1.626 177.939 176.300 0.022 0.000 0.967 419 D CA 1.423 55.434 54.000 0.017 0.000 0.893 419 D CB -0.381 40.420 40.800 0.003 0.000 1.037 419 D HN 0.514 nan 8.370 nan 0.000 0.477 420 D N -0.281 120.134 120.400 0.025 0.000 2.149 420 D HA -0.190 2.641 4.640 -3.014 0.000 0.198 420 D C 1.776 178.111 176.300 0.058 0.000 0.990 420 D CA 0.722 54.730 54.000 0.014 0.000 0.839 420 D CB -0.619 40.178 40.800 -0.004 0.000 0.948 420 D HN 0.269 nan 8.370 nan 0.000 0.460 421 Y N 1.725 121.985 120.300 -0.067 0.000 2.165 421 Y HA -0.190 2.552 4.550 -3.014 0.000 0.286 421 Y C 2.122 177.959 175.900 -0.104 0.000 1.155 421 Y CA 1.426 59.481 58.100 -0.076 0.000 1.164 421 Y CB -0.451 37.973 38.460 -0.060 0.000 0.978 421 Y HN 0.053 nan 8.280 nan 0.000 0.513 422 E N -0.474 119.678 120.200 -0.080 0.000 2.085 422 E HA -0.283 2.259 4.350 -3.014 0.000 0.194 422 E C 2.406 178.933 176.600 -0.121 0.000 0.994 422 E CA 2.148 58.450 56.400 -0.163 0.000 0.801 422 E CB -0.155 29.493 29.700 -0.086 0.000 0.743 422 E HN 0.494 nan 8.360 nan 0.000 0.453 423 M N 0.160 119.723 119.600 -0.061 0.000 2.374 423 M HA 0.020 2.691 4.480 -3.014 0.000 0.264 423 M C 2.148 178.418 176.300 -0.050 0.000 1.067 423 M CA 1.246 56.516 55.300 -0.050 0.000 1.103 423 M CB -0.897 31.678 32.600 -0.042 0.000 1.402 423 M HN 0.160 nan 8.290 nan 0.000 0.444 424 I N -0.284 120.255 120.570 -0.051 0.000 2.233 424 I HA -0.281 2.081 4.170 -3.014 0.000 0.243 424 I C 2.674 178.807 176.117 0.027 0.000 1.093 424 I CA 1.352 62.645 61.300 -0.012 0.000 1.380 424 I CB -0.443 37.593 38.000 0.059 0.000 1.067 424 I HN 0.525 nan 8.210 nan 0.000 0.413 425 Q N 0.090 119.768 119.800 -0.203 0.000 2.297 425 Q HA -0.271 2.261 4.340 -3.014 0.000 0.208 425 Q C 1.418 177.391 176.000 -0.045 0.000 0.981 425 Q CA 1.723 57.308 55.803 -0.363 0.000 0.876 425 Q CB -0.115 28.231 28.738 -0.653 0.000 0.921 425 Q HN 0.474 nan 8.270 nan 0.000 0.446 426 D N 0.005 120.395 120.400 -0.017 0.000 2.202 426 D HA -0.056 2.776 4.640 -3.014 0.000 0.214 426 D C 1.850 178.189 176.300 0.065 0.000 0.967 426 D CA 1.731 55.743 54.000 0.019 0.000 0.871 426 D CB 0.110 40.903 40.800 -0.011 0.000 1.020 426 D HN 0.102 nan 8.370 nan 0.000 0.474 427 K N -0.592 119.852 120.400 0.074 0.000 2.444 427 K HA 0.090 2.602 4.320 -3.014 0.000 0.193 427 K C 0.320 176.999 176.600 0.131 0.000 1.024 427 K CA 0.081 56.411 56.287 0.072 0.000 1.077 427 K CB -0.882 31.640 32.500 0.036 0.000 0.833 427 K HN 0.414 nan 8.250 nan 0.000 0.517 428 Y N -0.235 120.111 120.300 0.076 0.000 2.310 428 Y HA 0.439 3.180 4.550 -3.014 0.000 0.326 428 Y C 1.411 177.373 175.900 0.104 0.000 1.151 428 Y CA 0.205 58.371 58.100 0.109 0.000 1.195 428 Y CB 1.676 40.246 38.460 0.183 0.000 1.210 428 Y HN 0.302 nan 8.280 nan 0.000 0.483 429 G N 2.409 110.632 108.800 -0.963 0.000 2.238 429 G HA2 -0.211 1.941 3.960 -3.014 0.000 0.217 429 G HA3 -0.211 1.941 3.960 -3.014 0.000 0.217 429 G C -0.144 174.575 174.900 -0.303 0.000 0.996 429 G CA 0.068 44.719 45.100 -0.748 0.000 0.632 429 G HN 0.960 nan 8.290 nan 0.000 0.503 430 S N -1.002 114.592 115.700 -0.178 0.000 2.521 430 S HA 0.577 3.238 4.470 -3.014 0.000 0.295 430 S C 0.788 175.377 174.600 -0.018 0.000 1.098 430 S CA 0.442 58.604 58.200 -0.063 0.000 0.999 430 S CB 1.500 64.686 63.200 -0.023 0.000 1.034 430 S HN 0.569 nan 8.310 nan 0.000 0.483 431 H N 4.247 123.272 119.070 -0.074 0.000 2.457 431 H HA 0.069 2.817 4.556 -3.014 0.000 0.294 431 H C 2.040 177.350 175.328 -0.031 0.000 1.064 431 H CA 2.533 58.550 56.048 -0.051 0.000 1.330 431 H CB 0.018 29.750 29.762 -0.050 0.000 1.395 431 H HN 0.661 nan 8.280 nan 0.000 0.541 432 K N -0.294 120.052 120.400 -0.091 0.000 2.148 432 K HA -0.037 2.474 4.320 -3.014 0.000 0.204 432 K C 2.113 178.645 176.600 -0.113 0.000 1.050 432 K CA 1.686 57.901 56.287 -0.120 0.000 0.942 432 K CB -1.037 31.441 32.500 -0.037 0.000 0.724 432 K HN 0.689 nan 8.250 nan 0.000 0.446 433 T N -1.960 112.548 114.554 -0.077 0.000 3.040 433 T HA 0.085 2.627 4.350 -3.014 0.000 0.266 433 T C 1.667 176.346 174.700 -0.034 0.000 1.005 433 T CA 0.608 62.679 62.100 -0.048 0.000 0.906 433 T CB 0.371 69.230 68.868 -0.016 0.000 1.082 433 T HN 0.721 nan 8.240 nan 0.000 0.531 434 E N 2.368 122.542 120.200 -0.043 0.000 2.152 434 E HA -0.163 2.379 4.350 -3.014 0.000 0.192 434 E C 2.120 178.729 176.600 0.016 0.000 0.983 434 E CA 1.565 57.976 56.400 0.017 0.000 0.818 434 E CB -1.031 28.697 29.700 0.046 0.000 0.758 434 E HN 0.556 nan 8.360 nan 0.000 0.467 435 T N -0.592 113.935 114.554 -0.045 0.000 2.849 435 T HA -0.055 2.486 4.350 -3.014 0.000 0.270 435 T C 1.718 176.412 174.700 -0.009 0.000 1.066 435 T CA 0.910 62.992 62.100 -0.029 0.000 1.130 435 T CB -0.353 68.468 68.868 -0.078 0.000 0.864 435 T HN 0.285 nan 8.240 nan 0.000 0.481 436 A N 0.565 123.375 122.820 -0.017 0.000 2.324 436 A HA 0.551 3.063 4.320 -3.014 0.000 0.240 436 A C 0.413 177.989 177.584 -0.013 0.000 1.347 436 A CA -0.268 51.761 52.037 -0.014 0.000 1.036 436 A CB -0.767 18.221 19.000 -0.019 0.000 0.917 436 A HN 0.444 nan 8.150 nan 0.000 0.519 437 L N -0.768 120.455 121.223 -0.000 0.000 2.585 437 L HA 0.592 3.124 4.340 -3.014 0.000 0.260 437 L C -0.237 176.627 176.870 -0.009 0.000 1.085 437 L CA -0.289 54.533 54.840 -0.029 0.000 0.913 437 L CB 0.138 42.199 42.059 0.003 0.000 1.638 437 L HN 0.448 nan 8.230 nan 0.000 0.531 438 N N -1.154 117.542 118.700 -0.008 0.000 4.345 438 N HA -0.032 2.899 4.740 -3.014 0.000 0.336 438 N C -1.201 174.310 175.510 0.002 0.000 2.140 438 N CA 0.544 53.623 53.050 0.049 0.000 2.868 438 N CB -0.777 37.744 38.487 0.058 0.000 0.353 438 N HN 0.869 nan 8.380 nan 0.000 0.690 439 A N 1.075 123.914 122.820 0.032 0.000 2.312 439 A HA 0.847 3.359 4.320 -3.014 0.000 0.326 439 A C 0.702 178.412 177.584 0.208 0.000 1.172 439 A CA -0.408 51.688 52.037 0.099 0.000 0.821 439 A CB 0.953 19.991 19.000 0.064 0.000 1.166 439 A HN 0.656 nan 8.150 nan 0.000 0.493 440 L N 0.652 122.058 121.223 0.305 0.000 2.692 440 L HA 0.373 2.905 4.340 -3.014 0.000 0.175 440 L C 0.891 177.894 176.870 0.222 0.000 1.112 440 L CA 0.219 55.184 54.840 0.208 0.000 0.908 440 L CB 0.115 42.233 42.059 0.097 0.000 1.672 440 L HN 0.739 nan 8.230 nan 0.000 0.500 458 K N 0.798 121.062 120.400 -0.226 0.000 2.316 458 K HA 0.920 3.432 4.320 -3.014 0.000 0.251 458 K C -0.642 175.613 176.600 -0.575 0.000 0.934 458 K CA -0.158 55.909 56.287 -0.366 0.000 0.802 458 K CB 2.038 34.277 32.500 -0.435 0.000 1.171 458 K HN 0.290 nan 8.250 nan 0.000 0.426 459 A N 1.957 124.482 122.820 -0.492 0.000 2.304 459 A HA 0.762 3.273 4.320 -3.014 0.000 0.314 459 A C -1.107 176.222 177.584 -0.425 0.000 1.187 459 A CA -0.600 51.152 52.037 -0.475 0.000 0.810 459 A CB 0.095 18.958 19.000 -0.228 0.000 1.183 459 A HN 0.681 nan 8.150 nan 0.000 0.487 460 Y N 1.297 121.460 120.300 -0.229 0.000 2.376 460 Y HA 0.641 3.383 4.550 -3.013 0.000 0.325 460 Y C -0.209 175.467 175.900 -0.374 0.000 1.199 460 Y CA -0.770 57.068 58.100 -0.436 0.000 1.206 460 Y CB 1.264 39.118 38.460 -1.010 0.000 1.229 460 Y HN 0.457 nan 8.280 nan 0.000 0.480 461 L N 1.547 122.717 121.223 -0.089 0.000 2.431 461 L HA 0.557 3.088 4.340 -3.014 0.000 0.266 461 L C -0.762 176.175 176.870 0.112 0.000 0.978 461 L CA -0.393 54.407 54.840 -0.067 0.000 0.822 461 L CB 2.317 44.232 42.059 -0.241 0.000 1.310 461 L HN 0.512 nan 8.230 nan 0.000 0.409 462 S N 0.549 116.324 115.700 0.125 0.000 2.594 462 S HA 0.770 3.432 4.470 -3.014 0.000 0.296 462 S C -0.696 173.906 174.600 0.003 0.000 1.124 462 S CA -0.611 57.644 58.200 0.093 0.000 1.011 462 S CB 1.788 65.021 63.200 0.055 0.000 1.016 462 S HN 0.551 nan 8.310 nan 0.000 0.485 463 T N 4.402 118.996 114.554 0.066 0.000 2.809 463 T HA 0.451 2.992 4.350 -3.014 0.000 0.284 463 T C -0.577 174.148 174.700 0.042 0.000 0.992 463 T CA -0.559 61.548 62.100 0.012 0.000 0.957 463 T CB 0.784 69.683 68.868 0.053 0.000 0.942 463 T HN 0.338 nan 8.240 nan 0.000 0.439 464 M N 3.043 122.598 119.600 -0.075 0.000 2.423 464 M HA 0.503 3.175 4.480 -3.014 0.000 0.335 464 M C -1.220 174.998 176.300 -0.137 0.000 1.177 464 M CA -0.774 54.489 55.300 -0.061 0.000 1.038 464 M CB 1.464 33.967 32.600 -0.163 0.000 1.641 464 M HN 0.613 nan 8.290 nan 0.000 0.455 465 Y N 2.084 122.457 120.300 0.121 0.000 2.429 465 Y HA 0.574 3.315 4.550 -3.015 0.000 0.342 465 Y C -0.178 175.846 175.900 0.207 0.000 1.004 465 Y CA -0.508 57.722 58.100 0.217 0.000 1.075 465 Y CB 1.612 40.325 38.460 0.421 0.000 1.214 465 Y HN 0.462 nan 8.280 nan 0.000 0.455 466 I N 2.610 123.388 120.570 0.348 0.000 2.418 466 I HA 0.416 2.778 4.170 -3.014 0.000 0.287 466 I C 0.417 176.630 176.117 0.159 0.000 1.008 466 I CA -0.711 60.733 61.300 0.240 0.000 1.104 466 I CB 1.633 39.668 38.000 0.058 0.000 1.264 466 I HN 0.784 nan 8.210 nan 0.000 0.438 467 G N 7.144 115.954 108.800 0.017 0.000 2.403 467 G HA2 0.581 2.733 3.960 -3.014 0.000 0.259 467 G HA3 0.581 2.733 3.960 -3.014 0.000 0.259 467 G C -0.660 173.719 174.900 -0.868 0.000 1.244 467 G CA -0.325 44.287 45.100 -0.814 0.000 0.849 467 G HN 0.457 nan 8.290 nan 0.000 0.532 468 L N 2.019 122.779 121.223 -0.771 0.000 2.341 468 L HA 0.416 2.947 4.340 -3.014 0.000 0.278 468 L C -0.923 175.733 176.870 -0.356 0.000 1.005 468 L CA -0.953 53.583 54.840 -0.508 0.000 0.818 468 L CB 2.356 44.275 42.059 -0.232 0.000 1.259 468 L HN 0.369 nan 8.230 nan 0.000 0.418 469 D N 2.475 122.660 120.400 -0.357 0.000 2.481 469 D HA 0.417 3.249 4.640 -3.014 0.000 0.246 469 D C -1.161 175.048 176.300 -0.151 0.000 1.109 469 D CA -0.198 53.776 54.000 -0.045 0.000 0.845 469 D CB 1.107 41.933 40.800 0.044 0.000 1.160 469 D HN 0.029 nan 8.370 nan 0.000 0.534 470 F N 2.834 122.868 119.950 0.139 0.000 2.399 470 F HA 0.364 3.083 4.527 -3.013 0.000 0.334 470 F C 1.087 176.938 175.800 0.084 0.000 1.097 470 F CA -0.827 57.225 58.000 0.087 0.000 1.076 470 F CB 1.018 40.059 39.000 0.069 0.000 1.162 470 F HN 0.254 nan 8.300 nan 0.000 0.495 477 E N 1.298 121.463 120.200 -0.058 0.000 3.388 477 E HA 0.709 3.251 4.350 -3.014 0.000 0.390 477 E C 0.920 177.431 176.600 -0.148 0.000 0.432 477 E CA 1.348 57.691 56.400 -0.096 0.000 2.109 477 E CB -0.382 29.251 29.700 -0.113 0.000 2.195 477 E HN 1.082 nan 8.360 nan 0.000 0.488 478 K N -2.236 118.019 120.400 -0.243 0.000 2.311 478 K HA -0.141 2.370 4.320 -3.014 0.000 0.220 478 K C 0.508 176.765 176.600 -0.572 0.000 1.535 478 K CA 1.228 57.304 56.287 -0.351 0.000 0.473 478 K CB -2.002 30.371 32.500 -0.211 0.000 0.750 478 K HN 0.614 nan 8.250 nan 0.000 0.752 479 V N 1.059 120.785 119.914 -0.313 0.000 3.096 479 V HA 0.226 2.538 4.120 -3.014 0.000 0.319 479 V C 0.009 176.073 176.094 -0.051 0.000 1.103 479 V CA -0.578 61.678 62.300 -0.073 0.000 1.016 479 V CB 1.552 33.415 31.823 0.066 0.000 1.090 479 V HN 0.654 nan 8.190 nan 0.000 0.449 480 D N 1.461 121.848 120.400 -0.022 0.000 2.346 480 D HA 0.139 2.971 4.640 -3.014 0.000 0.260 480 D C 0.679 176.999 176.300 0.034 0.000 1.252 480 D CA 0.033 54.039 54.000 0.010 0.000 0.895 480 D CB 0.534 41.373 40.800 0.065 0.000 1.097 480 D HN 0.557 nan 8.370 nan 0.000 0.489 481 I N 2.020 122.605 120.570 0.025 0.000 3.976 481 I HA 0.136 2.497 4.170 -3.014 0.000 0.337 481 I C 1.657 177.788 176.117 0.023 0.000 1.359 481 I CA -0.410 60.903 61.300 0.022 0.000 1.098 481 I CB -0.062 37.962 38.000 0.040 0.000 1.027 481 I HN 0.368 nan 8.210 nan 0.000 0.394 482 H N 2.024 121.089 119.070 -0.008 0.000 2.421 482 H HA -0.063 2.685 4.556 -3.014 0.000 0.298 482 H C 1.826 177.178 175.328 0.040 0.000 1.087 482 H CA 1.643 57.701 56.048 0.016 0.000 1.330 482 H CB -0.349 29.417 29.762 0.006 0.000 1.388 482 H HN 0.481 nan 8.280 nan 0.000 0.526 483 I N 2.005 122.202 120.570 -0.621 0.000 2.133 483 I HA -0.139 2.222 4.170 -3.014 0.000 0.238 483 I C -0.351 175.695 176.117 -0.119 0.000 1.074 483 I CA 0.975 62.021 61.300 -0.424 0.000 1.342 483 I CB -1.372 36.408 38.000 -0.367 0.000 1.053 483 I HN 0.254 nan 8.210 nan 0.000 0.404 484 P HA -0.155 nan 4.420 nan 0.000 0.216 484 P C 1.743 179.091 177.300 0.079 0.000 1.150 484 P CA 1.593 64.701 63.100 0.014 0.000 0.843 484 P CB -0.287 31.411 31.700 -0.003 0.000 0.787 485 C N -0.814 118.526 119.300 0.067 0.000 2.432 485 C HA -0.100 2.551 4.460 -3.014 0.000 0.277 485 C C 2.871 177.986 174.990 0.208 0.000 1.249 485 C CA 1.797 60.896 59.018 0.135 0.000 1.725 485 C CB -1.888 25.924 27.740 0.120 0.000 2.028 485 C HN 0.291 nan 8.230 nan 0.000 0.477 486 T N 0.687 115.331 114.554 0.150 0.000 2.708 486 T HA -0.180 2.362 4.350 -3.014 0.000 0.266 486 T C 1.608 176.395 174.700 0.145 0.000 1.037 486 T CA 1.563 63.756 62.100 0.155 0.000 1.146 486 T CB -0.363 68.587 68.868 0.138 0.000 0.865 486 T HN 0.643 nan 8.240 nan 0.000 0.435 487 E N 0.231 120.502 120.200 0.119 0.000 2.070 487 E HA -0.162 2.380 4.350 -3.014 0.000 0.197 487 E C 1.861 178.552 176.600 0.151 0.000 1.004 487 E CA 1.220 57.689 56.400 0.115 0.000 0.805 487 E CB -0.328 29.427 29.700 0.091 0.000 0.744 487 E HN 0.461 nan 8.360 nan 0.000 0.451 488 F N 1.247 121.229 119.950 0.054 0.000 2.069 488 F HA -0.264 2.454 4.527 -3.015 0.000 0.298 488 F C 2.130 177.974 175.800 0.074 0.000 1.113 488 F CA 1.325 59.357 58.000 0.053 0.000 1.214 488 F CB -0.376 38.645 39.000 0.036 0.000 0.978 488 F HN -0.191 nan 8.300 nan 0.000 0.474 489 V N 0.833 120.815 119.914 0.113 0.000 2.287 489 V HA -0.367 1.944 4.120 -3.014 0.000 0.248 489 V C 2.035 178.157 176.094 0.046 0.000 1.053 489 V CA 2.484 64.820 62.300 0.061 0.000 1.027 489 V CB -1.115 30.819 31.823 0.185 0.000 0.646 489 V HN 0.411 nan 8.190 nan 0.000 0.447 490 N N 0.011 118.759 118.700 0.081 0.000 2.069 490 N HA -0.213 2.719 4.740 -3.014 0.000 0.191 490 N C 1.809 177.369 175.510 0.084 0.000 1.031 490 N CA 1.322 54.426 53.050 0.091 0.000 0.852 490 N CB -0.265 38.274 38.487 0.088 0.000 1.018 490 N HN 0.329 nan 8.380 nan 0.000 0.423 491 L N 1.188 122.439 121.223 0.047 0.000 2.013 491 L HA -0.216 2.316 4.340 -3.014 0.000 0.212 491 L C 2.048 179.006 176.870 0.146 0.000 1.073 491 L CA 1.699 56.590 54.840 0.085 0.000 0.753 491 L CB -0.668 41.410 42.059 0.032 0.000 0.890 491 L HN 0.290 nan 8.230 nan 0.000 0.432 492 C N -0.642 118.619 119.300 -0.066 0.000 2.440 492 C HA -0.063 2.589 4.460 -3.014 0.000 0.278 492 C C 2.721 177.894 174.990 0.306 0.000 1.295 492 C CA 0.494 59.485 59.018 -0.045 0.000 1.738 492 C CB -1.099 26.408 27.740 -0.388 0.000 1.987 492 C HN 0.477 nan 8.230 nan 0.000 0.492 493 R N 1.463 122.128 120.500 0.275 0.000 2.189 493 R HA -0.090 2.442 4.340 -3.014 0.000 0.218 493 R C 2.356 178.817 176.300 0.269 0.000 1.074 493 R CA 1.555 57.820 56.100 0.274 0.000 0.991 493 R CB -0.443 29.975 30.300 0.197 0.000 0.883 493 R HN 0.719 nan 8.270 nan 0.000 0.457 494 S N 0.204 116.055 115.700 0.252 0.000 2.423 494 S HA -0.111 2.550 4.470 -3.014 0.000 0.231 494 S C 1.695 176.383 174.600 0.147 0.000 1.014 494 S CA 0.726 59.018 58.200 0.154 0.000 0.965 494 S CB -0.392 62.854 63.200 0.078 0.000 0.785 494 S HN 0.170 nan 8.310 nan 0.000 0.495 495 F N 3.413 123.469 119.950 0.177 0.000 2.333 495 F HA 0.137 2.856 4.527 -3.014 0.000 0.300 495 F C 1.077 176.904 175.800 0.045 0.000 1.083 495 F CA 0.924 59.027 58.000 0.171 0.000 1.395 495 F CB -0.346 38.819 39.000 0.275 0.000 1.056 495 F HN 0.574 nan 8.300 nan 0.000 0.529 496 N N -2.970 115.761 118.700 0.053 0.000 2.961 496 N HA 0.190 3.121 4.740 -3.014 0.000 0.245 496 N C 0.253 175.657 175.510 -0.176 0.000 1.404 496 N CA 0.135 53.083 53.050 -0.170 0.000 0.880 496 N CB 0.409 38.696 38.487 -0.333 0.000 1.461 496 N HN -0.157 nan 8.380 nan 0.000 0.510 497 E N -0.280 119.837 120.200 -0.137 0.000 2.267 497 E HA -0.181 2.360 4.350 -3.014 0.000 0.197 497 E C 0.640 177.186 176.600 -0.091 0.000 0.998 497 E CA 1.935 58.288 56.400 -0.079 0.000 0.830 497 E CB -0.931 28.738 29.700 -0.051 0.000 0.751 497 E HN 0.655 nan 8.360 nan 0.000 0.491 498 D N -0.950 119.322 120.400 -0.213 0.000 2.269 498 D HA -0.058 2.774 4.640 -3.014 0.000 0.208 498 D C 1.408 177.629 176.300 -0.132 0.000 0.963 498 D CA 0.632 54.540 54.000 -0.153 0.000 0.864 498 D CB -0.240 40.424 40.800 -0.226 0.000 0.936 498 D HN 0.555 nan 8.370 nan 0.000 0.505 499 Y N 0.307 120.396 120.300 -0.352 0.000 2.242 499 Y HA 0.064 2.805 4.550 -3.014 0.000 0.291 499 Y C 2.378 178.015 175.900 -0.438 0.000 1.137 499 Y CA 1.019 58.713 58.100 -0.677 0.000 1.181 499 Y CB -0.374 37.722 38.460 -0.607 0.000 0.989 499 Y HN 0.142 nan 8.280 nan 0.000 0.527 500 G N -1.296 107.518 108.800 0.023 0.000 2.493 500 G HA2 -0.293 1.859 3.960 -3.014 0.000 0.206 500 G HA3 -0.293 1.859 3.960 -3.014 0.000 0.206 500 G C 1.100 176.082 174.900 0.136 0.000 1.109 500 G CA 0.384 45.532 45.100 0.079 0.000 0.689 500 G HN 0.350 nan 8.290 nan 0.000 0.516 501 D N -0.994 119.503 120.400 0.160 0.000 2.162 501 D HA 0.199 3.030 4.640 -3.014 0.000 0.252 501 D C 1.430 177.912 176.300 0.303 0.000 1.095 501 D CA 1.285 55.404 54.000 0.197 0.000 0.928 501 D CB 0.134 41.055 40.800 0.202 0.000 0.989 501 D HN 0.513 nan 8.370 nan 0.000 0.401 502 H N -1.719 117.419 119.070 0.113 0.000 4.422 502 H HA -0.085 2.662 4.556 -3.014 0.000 0.113 502 H C 1.552 176.932 175.328 0.087 0.000 0.624 502 H CA 0.556 56.653 56.048 0.083 0.000 1.030 502 H CB -0.497 29.292 29.762 0.044 0.000 0.434 502 H HN 0.189 nan 8.280 nan 0.000 0.760 503 K N 0.983 121.506 120.400 0.205 0.000 2.217 503 K HA 0.065 2.576 4.320 -3.014 0.000 0.202 503 K C 1.873 178.589 176.600 0.194 0.000 1.051 503 K CA 1.693 58.083 56.287 0.171 0.000 0.952 503 K CB 0.680 33.240 32.500 0.099 0.000 0.736 503 K HN 0.149 nan 8.250 nan 0.000 0.453 504 V N -0.335 119.635 119.914 0.092 0.000 2.950 504 V HA 0.205 2.516 4.120 -3.014 0.000 0.231 504 V C -0.513 175.477 176.094 -0.173 0.000 1.205 504 V CA -0.012 62.197 62.300 -0.152 0.000 1.239 504 V CB 0.268 31.828 31.823 -0.438 0.000 1.050 504 V HN -0.026 nan 8.190 nan 0.000 0.498 505 F N 3.022 122.982 119.950 0.018 0.000 2.408 505 F HA 0.659 3.378 4.527 -3.014 0.000 0.344 505 F C 0.247 175.993 175.800 -0.090 0.000 1.112 505 F CA -0.507 57.371 58.000 -0.202 0.000 1.096 505 F CB 0.942 39.442 39.000 -0.833 0.000 1.129 505 F HN 0.162 nan 8.300 nan 0.000 0.486 506 N N 2.239 121.204 118.700 0.442 0.000 2.396 506 N HA 0.579 3.511 4.740 -3.014 0.000 0.275 506 N C -2.158 173.775 175.510 0.704 0.000 1.218 506 N CA -0.600 52.656 53.050 0.342 0.000 0.812 506 N CB 2.888 41.412 38.487 0.062 0.000 1.592 506 N HN 0.468 nan 8.380 nan 0.000 0.480 507 L N 1.059 122.571 121.223 0.483 0.000 2.470 507 L HA 0.821 3.353 4.340 -3.014 0.000 0.268 507 L C -1.456 175.624 176.870 0.350 0.000 0.964 507 L CA -0.525 54.581 54.840 0.443 0.000 0.839 507 L CB 1.504 43.780 42.059 0.361 0.000 1.276 507 L HN 0.683 nan 8.230 nan 0.000 0.403 508 A N 4.935 127.979 122.820 0.374 0.000 2.371 508 A HA 0.866 3.378 4.320 -3.014 0.000 0.311 508 A C -1.794 175.935 177.584 0.241 0.000 1.068 508 A CA -0.431 51.800 52.037 0.323 0.000 0.744 508 A CB 1.308 20.570 19.000 0.437 0.000 1.239 508 A HN 0.587 nan 8.150 nan 0.000 0.435 509 L N 1.939 123.285 121.223 0.206 0.000 2.341 509 L HA 0.684 3.216 4.340 -3.014 0.000 0.278 509 L C 0.263 177.228 176.870 0.158 0.000 1.005 509 L CA -0.054 54.883 54.840 0.161 0.000 0.818 509 L CB 1.771 43.926 42.059 0.162 0.000 1.259 509 L HN 0.812 nan 8.230 nan 0.000 0.418 510 R N 3.180 123.764 120.500 0.140 0.000 2.575 510 R HA 0.434 2.966 4.340 -3.014 0.000 0.293 510 R C -1.803 174.618 176.300 0.202 0.000 0.983 510 R CA -0.603 55.590 56.100 0.154 0.000 0.887 510 R CB 1.305 31.665 30.300 0.100 0.000 1.184 510 R HN 0.476 nan 8.270 nan 0.000 0.445 511 F N 6.380 126.388 119.950 0.096 0.000 2.391 511 F HA 0.404 3.123 4.527 -3.014 0.000 0.359 511 F C -0.732 175.163 175.800 0.158 0.000 1.122 511 F CA -0.411 57.667 58.000 0.130 0.000 1.120 511 F CB 1.144 40.205 39.000 0.102 0.000 1.142 511 F HN 0.265 nan 8.300 nan 0.000 0.483 512 V N 3.654 123.380 119.914 -0.313 0.000 2.735 512 V HA 0.559 2.871 4.120 -3.014 0.000 0.310 512 V C -0.621 175.385 176.094 -0.146 0.000 1.061 512 V CA -1.212 61.006 62.300 -0.137 0.000 0.913 512 V CB 1.562 33.380 31.823 -0.009 0.000 1.005 512 V HN 0.710 nan 8.190 nan 0.000 0.428 513 K N 2.793 123.192 120.400 -0.001 0.000 2.258 513 K HA 0.370 2.881 4.320 -3.014 0.000 0.264 513 K C 1.436 178.054 176.600 0.029 0.000 1.007 513 K CA 0.230 56.537 56.287 0.034 0.000 0.941 513 K CB 1.129 33.666 32.500 0.062 0.000 0.966 513 K HN 0.986 nan 8.250 nan 0.000 0.480 514 G N 0.463 109.285 108.800 0.036 0.000 2.422 514 G HA2 -0.320 1.832 3.960 -3.014 0.000 0.218 514 G HA3 -0.320 1.832 3.960 -3.014 0.000 0.218 514 G C 1.670 176.531 174.900 -0.067 0.000 1.146 514 G CA 1.304 46.426 45.100 0.036 0.000 0.769 514 G HN 0.759 nan 8.290 nan 0.000 0.547 515 Y N -0.147 120.117 120.300 -0.060 0.000 2.384 515 Y HA 0.007 2.749 4.550 -3.014 0.000 0.289 515 Y C 2.152 178.017 175.900 -0.059 0.000 1.152 515 Y CA 1.896 59.953 58.100 -0.072 0.000 1.258 515 Y CB -0.406 38.028 38.460 -0.044 0.000 0.979 515 Y HN 0.392 nan 8.280 nan 0.000 0.549 516 D N -0.786 119.597 120.400 -0.029 0.000 2.402 516 D HA 0.207 3.039 4.640 -3.014 0.000 0.216 516 D C 0.109 176.397 176.300 -0.019 0.000 1.128 516 D CA -0.134 53.873 54.000 0.012 0.000 0.833 516 D CB -0.456 40.362 40.800 0.030 0.000 0.971 516 D HN 0.468 nan 8.370 nan 0.000 0.503 517 L N 1.970 123.134 121.223 -0.097 0.000 2.485 517 L HA 0.211 2.743 4.340 -3.014 0.000 0.275 517 L C -1.732 175.049 176.870 -0.148 0.000 1.207 517 L CA -1.374 53.336 54.840 -0.217 0.000 0.855 517 L CB 0.281 42.053 42.059 -0.478 0.000 1.114 517 L HN 0.037 nan 8.230 nan 0.000 0.485 518 P HA 0.001 nan 4.420 nan 0.000 0.269 518 P C -0.601 176.601 177.300 -0.163 0.000 1.209 518 P CA -0.323 62.698 63.100 -0.132 0.000 0.776 518 P CB 0.477 32.059 31.700 -0.197 0.000 0.876 519 D N 0.782 121.180 120.400 -0.003 0.000 2.371 519 D HA -0.186 2.645 4.640 -3.014 0.000 0.221 519 D C 1.450 177.720 176.300 -0.049 0.000 0.986 519 D CA 0.726 54.763 54.000 0.061 0.000 0.899 519 D CB -0.678 40.160 40.800 0.063 0.000 0.902 519 D HN 0.571 nan 8.370 nan 0.000 0.530 520 E N 0.694 120.823 120.200 -0.118 0.000 2.233 520 E HA -0.227 2.314 4.350 -3.014 0.000 0.199 520 E C 1.579 177.944 176.600 -0.390 0.000 1.004 520 E CA 0.927 57.249 56.400 -0.130 0.000 0.819 520 E CB -0.328 29.344 29.700 -0.046 0.000 0.738 520 E HN 0.245 nan 8.360 nan 0.000 0.478 521 V N 0.000 119.374 119.914 -0.901 0.000 3.406 521 V HA 0.085 2.396 4.120 -3.014 0.000 0.263 521 V C -0.133 175.151 176.094 -1.350 0.000 1.172 521 V CA 0.535 61.829 62.300 -1.676 0.000 1.140 521 V CB -0.361 29.934 31.823 -2.548 0.000 0.784 521 V HN 0.171 nan 8.190 nan 0.000 0.467 522 F N 0.679 120.399 119.950 -0.383 0.000 2.495 522 F HA 0.507 3.226 4.527 -3.014 0.000 0.327 522 F C 0.090 175.863 175.800 -0.044 0.000 1.103 522 F CA -1.710 56.197 58.000 -0.155 0.000 0.949 522 F CB 0.953 39.863 39.000 -0.150 0.000 1.142 522 F HN 0.075 nan 8.300 nan 0.000 0.457 523 D N -0.190 120.325 120.400 0.192 0.000 2.312 523 D HA 0.382 3.213 4.640 -3.014 0.000 0.248 523 D C 0.215 176.587 176.300 0.121 0.000 1.086 523 D CA -0.603 53.477 54.000 0.133 0.000 0.948 523 D CB 0.420 41.288 40.800 0.113 0.000 1.162 523 D HN 0.694 nan 8.370 nan 0.000 0.446 524 E N 0.484 120.733 120.200 0.081 0.000 2.443 524 E HA 0.016 2.558 4.350 -3.014 0.000 0.310 524 E C 0.213 176.843 176.600 0.050 0.000 1.202 524 E CA -0.175 56.259 56.400 0.056 0.000 1.301 524 E CB -1.106 28.619 29.700 0.042 0.000 1.104 524 E HN 0.520 nan 8.360 nan 0.000 0.487 525 N N -0.488 118.247 118.700 0.059 0.000 2.149 525 N HA -0.040 2.892 4.740 -3.014 0.000 0.311 525 N C -0.501 175.037 175.510 0.047 0.000 1.063 525 N CA 0.506 53.584 53.050 0.048 0.000 0.690 525 N CB 0.648 39.170 38.487 0.058 0.000 1.958 525 N HN 0.519 nan 8.380 nan 0.000 0.766 526 E N 0.492 120.748 120.200 0.093 0.000 2.281 526 E HA 0.491 3.032 4.350 -3.014 0.000 0.262 526 E C -0.790 175.851 176.600 0.069 0.000 0.933 526 E CA -0.610 55.856 56.400 0.110 0.000 0.809 526 E CB 2.345 32.233 29.700 0.313 0.000 1.242 526 E HN -0.074 nan 8.360 nan 0.000 0.418 527 K N 1.359 121.773 120.400 0.023 0.000 2.318 527 K HA 0.349 2.861 4.320 -3.014 0.000 0.249 527 K C -0.642 175.796 176.600 -0.270 0.000 0.942 527 K CA -0.877 55.329 56.287 -0.136 0.000 0.808 527 K CB 2.125 34.561 32.500 -0.107 0.000 1.189 527 K HN 0.530 nan 8.250 nan 0.000 0.428 528 R N 1.633 121.705 120.500 -0.713 0.000 2.623 528 R HA 0.173 2.704 4.340 -3.014 0.000 0.271 528 R C -2.108 173.921 176.300 -0.451 0.000 1.043 528 R CA -0.986 54.450 56.100 -1.107 0.000 1.083 528 R CB -0.544 29.059 30.300 -1.162 0.000 0.974 528 R HN 0.246 nan 8.270 nan 0.000 0.436 529 P HA 0.163 nan 4.420 nan 0.000 0.274 529 P C -0.754 176.469 177.300 -0.128 0.000 1.256 529 P CA -0.517 62.520 63.100 -0.104 0.000 0.795 529 P CB 1.513 33.197 31.700 -0.027 0.000 1.038 530 S N 0.000 115.660 115.700 -0.067 0.000 2.498 530 S HA 0.000 2.662 4.470 -3.014 0.000 0.327 530 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 530 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 530 S HN 0.000 nan 8.310 nan 0.000 0.517