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 1vrg_1_C DATA FIRST_RESID 2 DATA SEQUENCE SLRDKIEELK KIEKEIEQGG GPEKVEKQHR AGKLTAWERL ELLLDPGTFV DATA SEQUENCE EIDKFVEHRN TYFGLDKVKL PRDGVITGVG EINGRKVAVF SQDFTVXGGS DATA SEQUENCE LGEXHAKKIV KLLDLALKXG IPVIGINDSG GARIQEGVDA LAGYGEIFLR DATA SEQUENCE NTLASGVVPQ ITVIAGPCAG GAVYSPALTD FIVXVDQTAR XFITGPNVIK DATA SEQUENCE AVTGEEISQE DLGGAXVHNQ KSGNAHFLAD NDEKAXSLVR TLLSYLPSNN DATA SEQUENCE AEEPPVEDPD TSLETPEDIL DILPDNPNKG YDVRDVIKRV VDHGEFFEVQ DATA SEQUENCE PYFAKNIVIG FARIQGKTVG IVANQPSVLA GVLDIDSSDK AARFIRFLDA DATA SEQUENCE FNIPILTFVD TPGYLPGVAQ EHGGIIRHGA KLLYAYSEAT VPKITVILRK DATA SEQUENCE AYGGAYIAXG SKHLGADXVL AWPSAEIAVX GPEGAANIIF KREIEASSNP DATA SEQUENCE EETRRKLIEE YKQQFANPYI AASRGYVDXV IDPRETRKYI XRALEVCETK DATA SEQUENCE VEYRPKKKHG NIPL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.593 174.600 -0.011 0.000 1.055 2 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 2 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 3 L N 1.648 122.864 121.223 -0.012 0.000 2.079 3 L HA 0.160 4.500 4.340 0.000 0.000 0.210 3 L C 2.559 179.422 176.870 -0.011 0.000 1.081 3 L CA 1.907 56.739 54.840 -0.013 0.000 0.752 3 L CB -1.038 41.013 42.059 -0.013 0.000 0.896 3 L HN 0.822 nan 8.230 nan 0.000 0.433 4 R N -0.502 119.993 120.500 -0.008 0.000 2.115 4 R HA -0.121 4.219 4.340 0.000 0.000 0.230 4 R C 1.861 178.158 176.300 -0.005 0.000 1.111 4 R CA 1.334 57.431 56.100 -0.006 0.000 0.976 4 R CB -0.378 29.919 30.300 -0.005 0.000 0.870 4 R HN 0.452 nan 8.270 nan 0.000 0.445 5 D N 0.541 120.938 120.400 -0.006 0.000 2.144 5 D HA -0.120 4.520 4.640 0.000 0.000 0.200 5 D C 1.540 177.836 176.300 -0.006 0.000 0.978 5 D CA 1.194 55.191 54.000 -0.005 0.000 0.833 5 D CB 0.017 40.814 40.800 -0.006 0.000 0.961 5 D HN 0.201 nan 8.370 nan 0.000 0.470 6 K N 0.232 120.626 120.400 -0.010 0.000 2.148 6 K HA 0.000 4.321 4.320 0.000 0.000 0.204 6 K C 2.236 178.829 176.600 -0.012 0.000 1.050 6 K CA 0.429 56.707 56.287 -0.015 0.000 0.942 6 K CB 0.102 32.588 32.500 -0.022 0.000 0.724 6 K HN 0.166 nan 8.250 nan 0.000 0.446 7 I N 1.258 121.823 120.570 -0.008 0.000 2.252 7 I HA -0.243 3.927 4.170 0.000 0.000 0.245 7 I C 2.044 178.164 176.117 0.005 0.000 1.102 7 I CA 1.310 62.609 61.300 -0.002 0.000 1.385 7 I CB -0.167 37.832 38.000 -0.002 0.000 1.064 7 I HN 0.181 nan 8.210 nan 0.000 0.414 8 E N 0.566 120.768 120.200 0.003 0.000 2.077 8 E HA -0.298 4.052 4.350 0.000 0.000 0.193 8 E C 2.080 178.686 176.600 0.010 0.000 0.989 8 E CA 1.473 57.877 56.400 0.006 0.000 0.800 8 E CB -0.139 29.563 29.700 0.003 0.000 0.746 8 E HN 0.485 nan 8.360 nan 0.000 0.452 9 E N 0.848 121.053 120.200 0.008 0.000 2.077 9 E HA -0.227 4.123 4.350 0.000 0.000 0.193 9 E C 2.178 178.794 176.600 0.027 0.000 0.989 9 E CA 0.744 57.152 56.400 0.012 0.000 0.800 9 E CB -0.025 29.677 29.700 0.003 0.000 0.746 9 E HN 0.137 nan 8.360 nan 0.000 0.452 10 L N 1.448 122.687 121.223 0.027 0.000 2.042 10 L HA -0.176 4.164 4.340 0.000 0.000 0.210 10 L C 2.366 179.287 176.870 0.084 0.000 1.076 10 L CA 2.010 56.885 54.840 0.059 0.000 0.749 10 L CB -0.615 41.465 42.059 0.034 0.000 0.893 10 L HN -0.115 nan 8.230 nan 0.000 0.432 11 K N -0.305 120.124 120.400 0.049 0.000 2.097 11 K HA -0.143 4.178 4.320 0.000 0.000 0.206 11 K C 2.189 178.805 176.600 0.025 0.000 1.049 11 K CA 1.749 58.058 56.287 0.036 0.000 0.933 11 K CB -0.503 32.009 32.500 0.019 0.000 0.717 11 K HN 0.557 nan 8.250 nan 0.000 0.442 12 K N -0.041 120.373 120.400 0.025 0.000 2.025 12 K HA 0.079 4.399 4.320 0.000 0.000 0.207 12 K C 2.232 178.846 176.600 0.023 0.000 1.049 12 K CA 1.599 57.896 56.287 0.015 0.000 0.933 12 K CB -0.339 32.168 32.500 0.013 0.000 0.714 12 K HN 0.157 nan 8.250 nan 0.000 0.438 13 I N 1.554 122.156 120.570 0.054 0.000 2.264 13 I HA -0.299 3.872 4.170 0.000 0.000 0.248 13 I C 2.277 178.426 176.117 0.053 0.000 1.111 13 I CA 1.446 62.796 61.300 0.083 0.000 1.382 13 I CB -0.156 37.941 38.000 0.163 0.000 1.060 13 I HN 0.233 nan 8.210 nan 0.000 0.418 14 E N 0.408 120.640 120.200 0.053 0.000 2.072 14 E HA -0.186 4.164 4.350 0.000 0.000 0.190 14 E C 2.186 178.726 176.600 -0.100 0.000 0.982 14 E CA 0.765 57.135 56.400 -0.050 0.000 0.803 14 E CB 0.050 29.750 29.700 -0.000 0.000 0.755 14 E HN 0.324 nan 8.360 nan 0.000 0.453 15 K N 0.835 121.196 120.400 -0.064 0.000 2.097 15 K HA -0.178 4.142 4.320 0.000 0.000 0.206 15 K C 1.993 178.535 176.600 -0.097 0.000 1.049 15 K CA 0.944 57.180 56.287 -0.085 0.000 0.933 15 K CB -0.099 32.371 32.500 -0.051 0.000 0.717 15 K HN 0.195 nan 8.250 nan 0.000 0.442 16 E N 0.527 120.687 120.200 -0.068 0.000 2.072 16 E HA -0.115 4.235 4.350 0.000 0.000 0.191 16 E C 2.080 178.626 176.600 -0.090 0.000 0.985 16 E CA 0.688 57.052 56.400 -0.060 0.000 0.801 16 E CB -0.001 29.684 29.700 -0.026 0.000 0.750 16 E HN 0.224 nan 8.360 nan 0.000 0.452 17 I N 0.984 121.484 120.570 -0.118 0.000 2.286 17 I HA -0.251 3.920 4.170 0.000 0.000 0.248 17 I C 1.987 177.974 176.117 -0.216 0.000 1.115 17 I CA 1.198 62.403 61.300 -0.157 0.000 1.392 17 I CB -0.140 37.720 38.000 -0.234 0.000 1.065 17 I HN 0.098 nan 8.210 nan 0.000 0.418 18 E N 0.225 120.265 120.200 -0.266 0.000 2.338 18 E HA -0.199 4.151 4.350 0.000 0.000 0.197 18 E C 2.022 178.313 176.600 -0.516 0.000 1.007 18 E CA 0.439 56.583 56.400 -0.427 0.000 0.849 18 E CB 0.052 29.531 29.700 -0.368 0.000 0.774 18 E HN 0.422 nan 8.360 nan 0.000 0.506 19 Q N -0.166 119.465 119.800 -0.282 0.000 2.234 19 Q HA -0.084 4.256 4.340 0.000 0.000 0.206 19 Q C 1.400 177.330 176.000 -0.117 0.000 0.980 19 Q CA 1.171 56.866 55.803 -0.180 0.000 0.869 19 Q CB -0.368 28.326 28.738 -0.074 0.000 0.912 19 Q HN 0.350 nan 8.270 nan 0.000 0.436 20 G N -0.210 108.514 108.800 -0.128 0.000 2.531 20 G HA2 -0.327 3.633 3.960 0.000 0.000 0.274 20 G HA3 -0.327 3.633 3.960 0.000 0.000 0.274 20 G C 0.755 175.705 174.900 0.084 0.000 1.159 20 G CA 0.179 45.334 45.100 0.091 0.000 0.969 20 G HN 0.493 nan 8.290 nan 0.000 0.554 21 G N 0.650 109.524 108.800 0.123 0.000 2.956 21 G HA2 0.581 4.542 3.960 0.000 0.000 0.207 21 G HA3 0.581 4.542 3.960 0.000 0.000 0.207 21 G C 1.311 176.240 174.900 0.049 0.000 1.162 21 G CA 1.612 46.747 45.100 0.060 0.000 0.796 21 G HN 2.558 nan 8.290 nan 0.000 0.527 22 G N -0.532 108.305 108.800 0.062 0.000 2.612 22 G HA2 -0.021 3.939 3.960 0.000 0.000 0.686 22 G HA3 -0.021 3.939 3.960 0.000 0.000 0.686 22 G C -1.487 173.449 174.900 0.061 0.000 1.274 22 G CA -0.234 44.893 45.100 0.045 0.000 0.849 22 G HN -0.013 nan 8.290 nan 0.000 0.595 23 P HA -0.053 nan 4.420 nan 0.000 0.217 23 P C 1.387 178.715 177.300 0.046 0.000 1.150 23 P CA 1.813 64.947 63.100 0.056 0.000 0.832 23 P CB 0.097 31.825 31.700 0.048 0.000 0.787 24 E N 0.525 120.747 120.200 0.037 0.000 2.051 24 E HA -0.203 4.147 4.350 0.000 0.000 0.192 24 E C 1.811 178.428 176.600 0.029 0.000 0.991 24 E CA 1.218 57.637 56.400 0.032 0.000 0.799 24 E CB -0.188 29.528 29.700 0.027 0.000 0.748 24 E HN -0.029 nan 8.360 nan 0.000 0.449 25 K N 0.323 120.742 120.400 0.031 0.000 2.148 25 K HA -0.063 4.257 4.320 0.000 0.000 0.204 25 K C 2.180 178.789 176.600 0.015 0.000 1.050 25 K CA 0.750 57.057 56.287 0.033 0.000 0.942 25 K CB -0.191 32.330 32.500 0.035 0.000 0.724 25 K HN 0.148 nan 8.250 nan 0.000 0.446 26 V N 1.827 121.742 119.914 0.002 0.000 2.323 26 V HA -0.217 3.903 4.120 0.000 0.000 0.244 26 V C 2.895 178.851 176.094 -0.230 0.000 1.041 26 V CA 2.444 64.677 62.300 -0.111 0.000 1.025 26 V CB -0.662 31.161 31.823 0.000 0.000 0.656 26 V HN 0.485 nan 8.190 nan 0.000 0.451 27 E N 0.561 120.723 120.200 -0.062 0.000 2.085 27 E HA -0.334 4.017 4.350 0.000 0.000 0.194 27 E C 2.219 178.827 176.600 0.014 0.000 0.994 27 E CA 1.927 58.335 56.400 0.014 0.000 0.801 27 E CB -0.613 29.122 29.700 0.058 0.000 0.743 27 E HN 0.699 nan 8.360 nan 0.000 0.453 28 K N -0.348 120.058 120.400 0.010 0.000 2.097 28 K HA -0.273 4.048 4.320 0.000 0.000 0.206 28 K C 2.517 179.129 176.600 0.020 0.000 1.049 28 K CA 1.805 58.110 56.287 0.030 0.000 0.933 28 K CB -0.065 32.465 32.500 0.051 0.000 0.717 28 K HN 0.361 nan 8.250 nan 0.000 0.442 29 Q N 0.273 120.057 119.800 -0.028 0.000 2.020 29 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 29 Q C 1.645 177.628 176.000 -0.029 0.000 0.982 29 Q CA 2.102 57.866 55.803 -0.064 0.000 0.838 29 Q CB -0.208 28.442 28.738 -0.146 0.000 0.899 29 Q HN 0.609 nan 8.270 nan 0.000 0.423 30 H N -0.700 118.352 119.070 -0.030 0.000 2.290 30 H HA -0.062 4.494 4.556 0.001 0.000 0.298 30 H C 2.167 177.479 175.328 -0.026 0.000 1.087 30 H CA 1.257 57.284 56.048 -0.035 0.000 1.291 30 H CB 0.051 29.802 29.762 -0.018 0.000 1.369 30 H HN 0.187 nan 8.280 nan 0.000 0.492 31 R N 0.447 121.018 120.500 0.119 0.000 2.139 31 R HA -0.125 4.216 4.340 0.000 0.000 0.243 31 R C 2.274 178.591 176.300 0.028 0.000 1.145 31 R CA 0.927 57.062 56.100 0.058 0.000 0.976 31 R CB -0.140 30.189 30.300 0.047 0.000 0.866 31 R HN 0.286 nan 8.270 nan 0.000 0.449 32 A N -0.043 122.787 122.820 0.016 0.000 2.235 32 A HA 0.190 4.510 4.320 0.000 0.000 0.208 32 A C 1.397 178.965 177.584 -0.026 0.000 1.172 32 A CA 0.770 52.798 52.037 -0.015 0.000 0.786 32 A CB -0.101 18.871 19.000 -0.046 0.000 0.804 32 A HN 0.459 nan 8.150 nan 0.000 0.479 33 G N -0.744 108.052 108.800 -0.006 0.000 2.136 33 G HA2 -0.238 3.722 3.960 0.000 0.000 0.242 33 G HA3 -0.238 3.722 3.960 0.000 0.000 0.242 33 G C -0.010 174.873 174.900 -0.028 0.000 0.989 33 G CA 0.507 45.597 45.100 -0.017 0.000 0.682 33 G HN 0.616 nan 8.290 nan 0.000 0.522 34 K N -0.272 120.114 120.400 -0.023 0.000 2.203 34 K HA 0.746 5.066 4.320 0.000 0.000 0.251 34 K C 0.622 177.225 176.600 0.005 0.000 0.944 34 K CA -0.919 55.337 56.287 -0.052 0.000 0.829 34 K CB 1.932 34.362 32.500 -0.117 0.000 1.125 34 K HN 0.128 nan 8.250 nan 0.000 0.430 35 L N 1.427 122.625 121.223 -0.042 0.000 2.456 35 L HA 0.247 4.587 4.340 0.000 0.000 0.257 35 L C 1.026 177.779 176.870 -0.195 0.000 1.162 35 L CA -0.452 54.359 54.840 -0.049 0.000 0.808 35 L CB 0.914 42.915 42.059 -0.096 0.000 1.136 35 L HN 0.814 nan 8.230 nan 0.000 0.466 36 T N -1.949 112.383 114.554 -0.369 0.000 2.788 36 T HA 0.291 4.641 4.350 0.000 0.000 0.287 36 T C 1.084 175.382 174.700 -0.670 0.000 1.007 36 T CA -0.140 61.498 62.100 -0.771 0.000 1.005 36 T CB 1.284 69.154 68.868 -1.663 0.000 1.012 36 T HN 0.640 nan 8.240 nan 0.000 0.530 37 A N 0.316 122.759 122.820 -0.628 0.000 1.940 37 A HA -0.017 4.303 4.320 0.000 0.000 0.219 37 A C 1.991 179.490 177.584 -0.141 0.000 1.176 37 A CA 1.715 53.607 52.037 -0.242 0.000 0.631 37 A CB -1.298 17.690 19.000 -0.020 0.000 0.814 37 A HN 1.082 nan 8.150 nan 0.000 0.446 38 W N -0.528 120.743 121.300 -0.048 0.000 2.476 38 W HA 0.170 4.830 4.660 -0.000 0.000 0.281 38 W C 1.484 177.957 176.519 -0.076 0.000 1.230 38 W CA 0.750 58.047 57.345 -0.080 0.000 1.287 38 W CB -0.445 28.989 29.460 -0.043 0.000 1.108 38 W HN 0.292 nan 8.180 nan 0.000 0.567 39 E N 1.009 121.064 120.200 -0.242 0.000 2.110 39 E HA -0.173 4.177 4.350 0.000 0.000 0.193 39 E C 2.178 178.712 176.600 -0.112 0.000 0.988 39 E CA 1.547 57.874 56.400 -0.121 0.000 0.804 39 E CB -0.203 29.395 29.700 -0.169 0.000 0.745 39 E HN 0.326 nan 8.360 nan 0.000 0.458 40 R N 0.397 120.802 120.500 -0.158 0.000 2.073 40 R HA -0.094 4.246 4.340 0.000 0.000 0.234 40 R C 2.439 178.660 176.300 -0.132 0.000 1.134 40 R CA 1.032 57.052 56.100 -0.134 0.000 0.952 40 R CB -0.295 29.919 30.300 -0.143 0.000 0.850 40 R HN 0.161 nan 8.270 nan 0.000 0.433 41 L N 0.393 121.519 121.223 -0.161 0.000 2.083 41 L HA -0.172 4.168 4.340 0.000 0.000 0.209 41 L C 2.492 179.264 176.870 -0.163 0.000 1.083 41 L CA 1.305 56.004 54.840 -0.234 0.000 0.752 41 L CB -0.453 41.335 42.059 -0.452 0.000 0.899 41 L HN 0.305 nan 8.230 nan 0.000 0.433 42 E N 0.503 120.647 120.200 -0.092 0.000 2.160 42 E HA -0.221 4.129 4.350 0.000 0.000 0.195 42 E C 2.287 178.864 176.600 -0.038 0.000 0.991 42 E CA 1.022 57.401 56.400 -0.035 0.000 0.810 42 E CB 0.063 29.772 29.700 0.015 0.000 0.742 42 E HN 0.476 nan 8.360 nan 0.000 0.466 43 L N -0.015 121.175 121.223 -0.055 0.000 2.162 43 L HA -0.081 4.259 4.340 0.000 0.000 0.205 43 L C 2.446 179.280 176.870 -0.060 0.000 1.086 43 L CA 0.181 54.990 54.840 -0.053 0.000 0.778 43 L CB -0.181 41.843 42.059 -0.059 0.000 0.928 43 L HN 0.233 nan 8.230 nan 0.000 0.446 44 L N -0.237 120.940 121.223 -0.077 0.000 2.156 44 L HA 0.034 4.374 4.340 0.000 0.000 0.208 44 L C 0.730 177.564 176.870 -0.061 0.000 1.095 44 L CA 1.388 56.180 54.840 -0.079 0.000 0.770 44 L CB 0.072 42.071 42.059 -0.100 0.000 0.914 44 L HN -0.011 nan 8.230 nan 0.000 0.439 45 L N 0.093 121.287 121.223 -0.050 0.000 2.344 45 L HA 0.308 4.648 4.340 0.000 0.000 0.272 45 L C -0.301 176.568 176.870 -0.001 0.000 1.035 45 L CA -1.172 53.660 54.840 -0.013 0.000 0.807 45 L CB 0.833 42.903 42.059 0.017 0.000 1.237 45 L HN -0.079 nan 8.230 nan 0.000 0.442 46 D N 2.598 123.003 120.400 0.009 0.000 2.525 46 D HA 0.050 4.691 4.640 0.000 0.000 0.235 46 D C -2.224 174.092 176.300 0.026 0.000 1.137 46 D CA -0.650 53.356 54.000 0.009 0.000 0.868 46 D CB 0.244 41.049 40.800 0.009 0.000 1.180 46 D HN 0.160 nan 8.370 nan 0.000 0.465 47 P HA 0.064 nan 4.420 nan 0.000 0.258 47 P C 0.785 178.109 177.300 0.041 0.000 1.172 47 P CA 0.623 63.739 63.100 0.028 0.000 0.762 47 P CB 0.388 32.097 31.700 0.016 0.000 0.764 48 G N 2.863 111.700 108.800 0.060 0.000 2.179 48 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 48 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 48 G C 0.773 175.716 174.900 0.072 0.000 1.010 48 G CA 0.691 45.831 45.100 0.067 0.000 0.736 48 G HN 0.609 nan 8.290 nan 0.000 0.513 49 T N -3.188 111.422 114.554 0.093 0.000 3.022 49 T HA 0.443 4.793 4.350 0.000 0.000 0.250 49 T C 0.865 175.640 174.700 0.125 0.000 1.060 49 T CA 0.282 62.434 62.100 0.085 0.000 1.013 49 T CB 0.275 69.184 68.868 0.068 0.000 0.982 49 T HN 0.732 nan 8.240 nan 0.000 0.508 50 F N 3.104 123.062 119.950 0.014 0.000 2.456 50 F HA 0.532 5.059 4.527 0.000 0.000 0.358 50 F C -0.649 175.164 175.800 0.021 0.000 1.095 50 F CA -1.334 56.678 58.000 0.020 0.000 1.216 50 F CB 0.863 39.879 39.000 0.026 0.000 1.125 50 F HN -0.112 nan 8.300 nan 0.000 0.549 51 V N 6.595 126.044 119.914 -0.776 0.000 2.376 51 V HA 0.218 4.338 4.120 0.000 0.000 0.287 51 V C -0.174 175.330 176.094 -0.983 0.000 1.015 51 V CA -0.977 60.946 62.300 -0.628 0.000 0.834 51 V CB 1.235 32.882 31.823 -0.295 0.000 1.001 51 V HN 0.770 nan 8.190 nan 0.000 0.428 52 E N 4.654 124.394 120.200 -0.767 0.000 2.366 52 E HA 0.552 4.902 4.350 0.000 0.000 0.266 52 E C -0.589 175.904 176.600 -0.178 0.000 1.051 52 E CA -0.385 55.756 56.400 -0.431 0.000 0.884 52 E CB 1.091 30.755 29.700 -0.061 0.000 1.006 52 E HN 0.746 nan 8.360 nan 0.000 0.417 53 I N -0.467 120.056 120.570 -0.078 0.000 2.957 53 I HA 0.437 4.608 4.170 0.000 0.000 0.310 53 I C -0.576 175.562 176.117 0.033 0.000 1.063 53 I CA -0.997 60.299 61.300 -0.006 0.000 1.033 53 I CB 1.885 39.882 38.000 -0.004 0.000 1.230 53 I HN 0.443 nan 8.210 nan 0.000 0.447 54 D N 1.238 121.677 120.400 0.065 0.000 2.911 54 D HA -0.212 4.428 4.640 0.000 0.000 0.227 54 D C 1.080 177.407 176.300 0.044 0.000 1.164 54 D CA 1.369 55.414 54.000 0.074 0.000 0.782 54 D CB -0.674 40.152 40.800 0.043 0.000 1.094 54 D HN 0.856 nan 8.370 nan 0.000 0.425 55 K N -0.624 119.774 120.400 -0.004 0.000 2.160 55 K HA -0.150 4.171 4.320 0.000 0.000 0.206 55 K C 1.564 177.976 176.600 -0.314 0.000 1.047 55 K CA 1.237 57.391 56.287 -0.221 0.000 0.930 55 K CB -0.136 32.096 32.500 -0.446 0.000 0.720 55 K HN 0.199 nan 8.250 nan 0.000 0.450 56 F N 0.462 120.412 119.950 -0.000 0.000 2.732 56 F HA 0.126 4.653 4.527 0.000 0.000 0.303 56 F C 0.352 176.152 175.800 -0.000 0.000 1.110 56 F CA -0.524 57.474 58.000 -0.003 0.000 1.355 56 F CB 0.290 39.284 39.000 -0.010 0.000 1.081 56 F HN -0.290 nan 8.300 nan 0.000 0.565 57 V N 1.300 121.287 119.914 0.122 0.000 2.673 57 V HA 0.011 4.131 4.120 0.000 0.000 0.303 57 V C 0.045 176.183 176.094 0.074 0.000 1.046 57 V CA 0.303 62.652 62.300 0.082 0.000 1.126 57 V CB 1.011 32.865 31.823 0.052 0.000 0.934 57 V HN 0.142 nan 8.190 nan 0.000 0.487 58 E N 3.319 123.558 120.200 0.065 0.000 2.293 58 E HA 0.347 4.698 4.350 0.000 0.000 0.270 58 E C -0.270 176.360 176.600 0.051 0.000 0.879 58 E CA -0.741 55.702 56.400 0.072 0.000 0.756 58 E CB 1.106 30.816 29.700 0.017 0.000 1.208 58 E HN 0.822 nan 8.360 nan 0.000 0.428 59 H N 2.747 121.822 119.070 0.009 0.000 2.836 59 H HA 0.240 4.796 4.556 0.000 0.000 0.368 59 H C -0.092 175.226 175.328 -0.017 0.000 1.164 59 H CA 0.339 56.387 56.048 0.001 0.000 1.425 59 H CB 0.913 30.679 29.762 0.006 0.000 1.414 59 H HN 0.625 nan 8.280 nan 0.000 0.614 60 R N 0.573 121.039 120.500 -0.057 0.000 2.316 60 R HA 0.115 4.456 4.340 0.000 0.000 0.201 60 R C 0.037 176.261 176.300 -0.126 0.000 0.888 60 R CA -0.451 55.567 56.100 -0.137 0.000 1.041 60 R CB 0.356 30.609 30.300 -0.079 0.000 1.115 60 R HN 0.555 nan 8.270 nan 0.000 0.559 61 N N 1.366 120.051 118.700 -0.025 0.000 2.518 61 N HA -0.015 4.725 4.740 0.000 0.000 0.266 61 N C 0.710 176.143 175.510 -0.128 0.000 1.196 61 N CA 0.620 53.589 53.050 -0.136 0.000 0.947 61 N CB 1.506 40.001 38.487 0.013 0.000 1.098 61 N HN 0.160 nan 8.380 nan 0.000 0.450 62 T N -2.213 112.106 114.554 -0.391 0.000 3.054 62 T HA 0.156 4.506 4.350 0.000 0.000 0.255 62 T C 0.383 174.967 174.700 -0.194 0.000 1.035 62 T CA -0.070 61.884 62.100 -0.243 0.000 0.941 62 T CB -0.234 68.470 68.868 -0.273 0.000 1.026 62 T HN 0.276 nan 8.240 nan 0.000 0.533 63 Y N 1.438 121.688 120.300 -0.083 0.000 2.480 63 Y HA 0.401 4.951 4.550 0.000 0.000 0.338 63 Y C 0.540 176.360 175.900 -0.134 0.000 1.220 63 Y CA -1.636 56.292 58.100 -0.286 0.000 1.430 63 Y CB -0.383 37.856 38.460 -0.368 0.000 1.311 63 Y HN 0.121 nan 8.280 nan 0.000 0.575 64 F N 0.208 120.272 119.950 0.190 0.000 2.943 64 F HA -0.184 4.343 4.527 0.000 0.000 0.258 64 F C 1.329 177.172 175.800 0.070 0.000 0.995 64 F CA 0.865 58.926 58.000 0.102 0.000 0.896 64 F CB -1.809 37.239 39.000 0.080 0.000 0.821 64 F HN 0.869 nan 8.300 nan 0.000 0.828 65 G N -0.753 108.141 108.800 0.156 0.000 2.166 65 G HA2 -0.363 3.597 3.960 0.000 0.000 0.260 65 G HA3 -0.363 3.597 3.960 0.000 0.000 0.260 65 G C 1.049 176.009 174.900 0.101 0.000 0.986 65 G CA 0.301 45.465 45.100 0.106 0.000 0.683 65 G HN 0.622 nan 8.290 nan 0.000 0.527 66 L N 0.676 121.970 121.223 0.119 0.000 2.191 66 L HA -0.023 4.318 4.340 0.000 0.000 0.212 66 L C 2.552 179.556 176.870 0.224 0.000 1.103 66 L CA 1.688 56.613 54.840 0.142 0.000 0.769 66 L CB -0.271 41.883 42.059 0.157 0.000 0.908 66 L HN 0.499 nan 8.230 nan 0.000 0.438 67 D N -1.141 119.320 120.400 0.101 0.000 2.363 67 D HA -0.147 4.493 4.640 0.000 0.000 0.226 67 D C 1.508 177.838 176.300 0.050 0.000 1.020 67 D CA 0.564 54.592 54.000 0.046 0.000 0.892 67 D CB 0.012 40.798 40.800 -0.024 0.000 0.900 67 D HN 0.070 nan 8.370 nan 0.000 0.531 68 K N -0.325 120.118 120.400 0.071 0.000 2.358 68 K HA 0.260 4.580 4.320 0.000 0.000 0.197 68 K C -0.327 176.310 176.600 0.062 0.000 1.025 68 K CA -0.068 56.251 56.287 0.052 0.000 1.104 68 K CB 1.140 33.666 32.500 0.043 0.000 0.855 68 K HN 0.035 nan 8.250 nan 0.000 0.531 69 V N 0.700 120.674 119.914 0.101 0.000 2.914 69 V HA 0.415 4.535 4.120 0.000 0.000 0.314 69 V C -0.367 175.830 176.094 0.172 0.000 1.084 69 V CA -1.302 61.054 62.300 0.095 0.000 0.963 69 V CB 2.374 34.224 31.823 0.044 0.000 1.025 69 V HN -0.146 nan 8.190 nan 0.000 0.432 70 K N 2.977 123.447 120.400 0.118 0.000 2.159 70 K HA 0.670 4.990 4.320 0.000 0.000 0.266 70 K C -1.276 175.380 176.600 0.094 0.000 0.975 70 K CA -0.412 55.959 56.287 0.139 0.000 0.865 70 K CB 2.029 34.574 32.500 0.074 0.000 1.087 70 K HN 0.497 nan 8.250 nan 0.000 0.446 71 L N 4.812 126.105 121.223 0.117 0.000 2.366 71 L HA 0.286 4.626 4.340 0.000 0.000 0.266 71 L C -2.375 174.528 176.870 0.055 0.000 1.010 71 L CA -2.153 52.708 54.840 0.036 0.000 0.879 71 L CB 1.578 43.594 42.059 -0.073 0.000 1.228 71 L HN 0.218 nan 8.230 nan 0.000 0.439 72 P HA 0.035 nan 4.420 nan 0.000 0.261 72 P C 0.049 177.352 177.300 0.005 0.000 1.183 72 P CA 0.152 63.253 63.100 0.002 0.000 0.761 72 P CB 0.345 32.034 31.700 -0.019 0.000 0.785 73 R N 2.132 122.621 120.500 -0.018 0.000 3.932 73 R HA -0.285 4.055 4.340 0.000 0.000 0.318 73 R C 0.410 176.711 176.300 0.000 0.000 1.219 73 R CA 0.864 56.952 56.100 -0.020 0.000 0.889 73 R CB -2.422 27.865 30.300 -0.023 0.000 1.309 73 R HN 0.483 nan 8.270 nan 0.000 0.537 74 D N -0.815 119.611 120.400 0.044 0.000 2.845 74 D HA -0.211 4.429 4.640 0.000 0.000 0.229 74 D C 0.995 177.367 176.300 0.120 0.000 1.170 74 D CA 2.587 56.634 54.000 0.080 0.000 0.717 74 D CB -1.086 39.777 40.800 0.105 0.000 1.073 74 D HN 0.849 nan 8.370 nan 0.000 0.424 75 G N -2.431 106.413 108.800 0.074 0.000 2.132 75 G HA2 -0.077 3.883 3.960 0.000 0.000 0.234 75 G HA3 -0.077 3.883 3.960 0.000 0.000 0.234 75 G C 0.105 174.999 174.900 -0.010 0.000 0.989 75 G CA 0.236 45.411 45.100 0.124 0.000 0.676 75 G HN 1.223 nan 8.290 nan 0.000 0.522 76 V N 0.516 120.332 119.914 -0.163 0.000 2.817 76 V HA 0.646 4.766 4.120 0.000 0.000 0.303 76 V C -0.564 175.511 176.094 -0.030 0.000 1.151 76 V CA -1.053 61.136 62.300 -0.186 0.000 0.929 76 V CB 1.683 33.137 31.823 -0.616 0.000 1.030 76 V HN 0.358 nan 8.190 nan 0.000 0.427 77 I N 6.268 126.889 120.570 0.085 0.000 2.325 77 I HA 0.507 4.677 4.170 0.000 0.000 0.291 77 I C 0.438 176.681 176.117 0.211 0.000 1.019 77 I CA -0.010 61.380 61.300 0.150 0.000 1.302 77 I CB 1.819 39.921 38.000 0.169 0.000 1.401 77 I HN 0.796 nan 8.210 nan 0.000 0.485 78 T N 2.087 116.777 114.554 0.228 0.000 2.912 78 T HA 0.939 5.290 4.350 0.000 0.000 0.288 78 T C -0.125 174.764 174.700 0.315 0.000 1.030 78 T CA -0.705 61.555 62.100 0.267 0.000 1.020 78 T CB 2.326 71.285 68.868 0.151 0.000 1.056 78 T HN 0.921 nan 8.240 nan 0.000 0.480 79 G N 0.109 109.101 108.800 0.320 0.000 2.323 79 G HA2 0.485 4.445 3.960 0.000 0.000 0.291 79 G HA3 0.485 4.445 3.960 0.000 0.000 0.291 79 G C -2.006 172.992 174.900 0.163 0.000 1.278 79 G CA -0.361 44.788 45.100 0.081 0.000 0.860 79 G HN 1.035 nan 8.290 nan 0.000 0.504 80 V N 0.087 119.974 119.914 -0.044 0.000 2.709 80 V HA 0.919 5.039 4.120 0.000 0.000 0.308 80 V C 0.692 176.837 176.094 0.085 0.000 1.062 80 V CA 0.386 62.720 62.300 0.056 0.000 0.901 80 V CB 1.354 33.179 31.823 0.003 0.000 1.003 80 V HN 1.706 nan 8.190 nan 0.000 0.425 81 G N 2.719 111.628 108.800 0.181 0.000 2.921 81 G HA2 0.748 4.708 3.960 0.000 0.000 0.291 81 G HA3 0.748 4.708 3.960 0.000 0.000 0.291 81 G C -1.494 173.464 174.900 0.096 0.000 1.370 81 G CA -0.546 44.668 45.100 0.189 0.000 0.847 81 G HN 0.577 nan 8.290 nan 0.000 0.532 82 E N -0.731 119.513 120.200 0.073 0.000 2.227 82 E HA 0.566 4.917 4.350 0.000 0.000 0.268 82 E C -1.014 175.596 176.600 0.017 0.000 0.907 82 E CA -0.539 55.882 56.400 0.034 0.000 0.786 82 E CB 2.818 32.531 29.700 0.022 0.000 1.191 82 E HN 0.237 nan 8.360 nan 0.000 0.411 83 I N 2.766 123.332 120.570 -0.006 0.000 2.439 83 I HA 0.180 4.350 4.170 0.000 0.000 0.285 83 I C -0.369 175.721 176.117 -0.045 0.000 1.021 83 I CA -0.675 60.606 61.300 -0.031 0.000 1.091 83 I CB 1.326 39.298 38.000 -0.046 0.000 1.242 83 I HN 0.498 nan 8.210 nan 0.000 0.439 84 N N 5.083 123.753 118.700 -0.049 0.000 2.716 84 N HA -0.210 4.530 4.740 0.000 0.000 0.250 84 N C 0.937 176.423 175.510 -0.041 0.000 1.033 84 N CA 1.386 54.404 53.050 -0.054 0.000 0.727 84 N CB -0.734 37.704 38.487 -0.081 0.000 0.950 84 N HN 1.190 nan 8.380 nan 0.000 0.541 85 G N -1.285 107.499 108.800 -0.025 0.000 2.176 85 G HA2 -0.349 3.612 3.960 0.000 0.000 0.253 85 G HA3 -0.349 3.612 3.960 0.000 0.000 0.253 85 G C 0.099 174.991 174.900 -0.012 0.000 0.979 85 G CA 0.572 45.663 45.100 -0.016 0.000 0.641 85 G HN 0.566 nan 8.290 nan 0.000 0.530 86 R N 0.283 120.774 120.500 -0.016 0.000 2.514 86 R HA 0.526 4.866 4.340 0.000 0.000 0.301 86 R C -0.087 176.214 176.300 0.001 0.000 0.962 86 R CA -0.998 55.096 56.100 -0.011 0.000 0.882 86 R CB 1.097 31.384 30.300 -0.022 0.000 1.143 86 R HN -0.046 nan 8.270 nan 0.000 0.452 87 K N 2.306 122.712 120.400 0.010 0.000 2.412 87 K HA 0.166 4.487 4.320 0.000 0.000 0.281 87 K C -0.085 176.530 176.600 0.026 0.000 1.027 87 K CA -0.069 56.231 56.287 0.022 0.000 0.989 87 K CB 0.863 33.376 32.500 0.022 0.000 0.935 87 K HN 0.478 nan 8.250 nan 0.000 0.475 88 V N -1.510 118.429 119.914 0.041 0.000 2.841 88 V HA 0.761 4.881 4.120 0.000 0.000 0.310 88 V C -0.505 175.636 176.094 0.078 0.000 1.090 88 V CA -1.277 61.050 62.300 0.046 0.000 0.930 88 V CB 1.881 33.719 31.823 0.025 0.000 1.014 88 V HN 0.718 nan 8.190 nan 0.000 0.425 89 A N 3.634 126.505 122.820 0.085 0.000 2.309 89 A HA 0.890 5.210 4.320 0.000 0.000 0.298 89 A C -0.401 177.257 177.584 0.124 0.000 1.165 89 A CA -0.541 51.569 52.037 0.121 0.000 0.821 89 A CB 1.101 20.174 19.000 0.123 0.000 1.102 89 A HN 1.570 nan 8.150 nan 0.000 0.500 90 V N 2.464 122.481 119.914 0.172 0.000 2.760 90 V HA 0.639 4.759 4.120 0.000 0.000 0.309 90 V C -0.935 175.287 176.094 0.214 0.000 1.077 90 V CA -0.459 61.907 62.300 0.110 0.000 0.910 90 V CB 1.527 33.389 31.823 0.064 0.000 1.008 90 V HN 0.940 nan 8.190 nan 0.000 0.424 91 F N 1.331 121.328 119.950 0.079 0.000 2.551 91 F HA 0.897 5.424 4.527 0.001 0.000 0.316 91 F C -0.324 175.496 175.800 0.034 0.000 1.089 91 F CA -1.052 56.987 58.000 0.064 0.000 0.915 91 F CB 2.210 41.248 39.000 0.062 0.000 1.186 91 F HN 0.367 nan 8.300 nan 0.000 0.456 92 S N 2.658 118.489 115.700 0.219 0.000 2.779 92 S HA 0.333 4.803 4.470 0.000 0.000 0.293 92 S C -1.099 173.613 174.600 0.186 0.000 1.150 92 S CA -0.555 57.706 58.200 0.102 0.000 1.057 92 S CB 0.688 63.883 63.200 -0.007 0.000 1.021 92 S HN 0.798 nan 8.310 nan 0.000 0.485 93 Q N 2.360 122.305 119.800 0.241 0.000 2.332 93 Q HA 0.189 4.529 4.340 0.000 0.000 0.263 93 Q C -0.818 175.289 176.000 0.179 0.000 0.979 93 Q CA -0.157 55.792 55.803 0.243 0.000 0.885 93 Q CB 0.711 29.649 28.738 0.333 0.000 1.218 93 Q HN 0.528 nan 8.270 nan 0.000 0.405 94 D N 2.011 122.523 120.400 0.185 0.000 2.443 94 D HA 0.052 4.693 4.640 0.000 0.000 0.221 94 D C -0.286 176.124 176.300 0.183 0.000 1.097 94 D CA -0.416 53.686 54.000 0.169 0.000 0.865 94 D CB 0.243 41.168 40.800 0.208 0.000 1.034 94 D HN 0.469 nan 8.370 nan 0.000 0.511 95 F N 2.573 122.536 119.950 0.023 0.000 2.365 95 F HA -0.138 4.389 4.527 0.000 0.000 0.300 95 F C 2.303 178.113 175.800 0.016 0.000 1.090 95 F CA 1.656 59.666 58.000 0.017 0.000 1.408 95 F CB 0.048 39.039 39.000 -0.015 0.000 1.060 95 F HN 0.416 nan 8.300 nan 0.000 0.534 96 T N -2.306 112.297 114.554 0.082 0.000 3.007 96 T HA 0.023 4.373 4.350 0.000 0.000 0.270 96 T C 0.927 175.611 174.700 -0.028 0.000 1.107 96 T CA 0.834 62.951 62.100 0.029 0.000 1.118 96 T CB -0.910 68.023 68.868 0.108 0.000 0.889 96 T HN -0.038 nan 8.240 nan 0.000 0.506 100 G N 0.712 109.382 108.800 -0.217 0.000 2.203 100 G HA2 -0.067 3.893 3.960 0.000 0.000 0.263 100 G HA3 -0.067 3.893 3.960 0.000 0.000 0.263 100 G C 0.734 175.650 174.900 0.026 0.000 1.012 100 G CA 0.998 46.141 45.100 0.071 0.000 0.749 100 G HN 1.960 nan 8.290 nan 0.000 0.512 101 S N -1.192 114.459 115.700 -0.082 0.000 2.576 101 S HA 0.537 5.007 4.470 0.000 0.000 0.276 101 S C 0.333 174.722 174.600 -0.352 0.000 1.339 101 S CA -0.523 57.593 58.200 -0.141 0.000 1.039 101 S CB 2.216 65.350 63.200 -0.111 0.000 0.902 101 S HN 1.110 nan 8.310 nan 0.000 0.516 102 L N 3.022 123.977 121.223 -0.446 0.000 2.268 102 L HA 0.599 4.939 4.340 0.000 0.000 0.289 102 L C 0.601 177.212 176.870 -0.432 0.000 1.064 102 L CA 0.034 54.424 54.840 -0.750 0.000 0.824 102 L CB -0.172 41.403 42.059 -0.808 0.000 1.202 102 L HN 0.949 nan 8.230 nan 0.000 0.433 103 G N 3.324 111.948 108.800 -0.294 0.000 2.531 103 G HA2 0.217 4.177 3.960 0.000 0.000 0.313 103 G HA3 0.217 4.177 3.960 0.000 0.000 0.313 103 G C -0.479 174.365 174.900 -0.094 0.000 1.238 103 G CA -0.546 44.479 45.100 -0.124 0.000 0.994 103 G HN 0.672 nan 8.290 nan 0.000 0.493 107 A N 1.663 124.535 122.820 0.087 0.000 1.902 107 A HA -0.101 4.219 4.320 0.000 0.000 0.217 107 A C 1.924 179.471 177.584 -0.061 0.000 1.181 107 A CA 1.821 53.828 52.037 -0.050 0.000 0.623 107 A CB -0.407 18.484 19.000 -0.182 0.000 0.818 107 A HN 0.485 nan 8.150 nan 0.000 0.443 108 K N -0.114 120.264 120.400 -0.037 0.000 2.147 108 K HA -0.132 4.188 4.320 0.000 0.000 0.205 108 K C 2.019 178.601 176.600 -0.030 0.000 1.049 108 K CA 1.530 57.799 56.287 -0.030 0.000 0.936 108 K CB -0.135 32.357 32.500 -0.014 0.000 0.722 108 K HN 0.437 nan 8.250 nan 0.000 0.446 109 K N 0.738 121.116 120.400 -0.037 0.000 2.026 109 K HA -0.103 4.217 4.320 0.000 0.000 0.208 109 K C 2.088 178.648 176.600 -0.067 0.000 1.048 109 K CA 1.307 57.567 56.287 -0.045 0.000 0.929 109 K CB -0.135 32.323 32.500 -0.069 0.000 0.713 109 K HN 0.107 nan 8.250 nan 0.000 0.439 110 I N 0.658 121.143 120.570 -0.142 0.000 2.142 110 I HA -0.288 3.883 4.170 0.000 0.000 0.240 110 I C 2.255 178.312 176.117 -0.100 0.000 1.078 110 I CA 1.061 62.221 61.300 -0.232 0.000 1.343 110 I CB -0.415 37.303 38.000 -0.471 0.000 1.046 110 I HN -0.059 nan 8.210 nan 0.000 0.405 111 V N 1.309 121.181 119.914 -0.070 0.000 2.250 111 V HA -0.384 3.736 4.120 0.000 0.000 0.250 111 V C 2.584 178.684 176.094 0.009 0.000 1.060 111 V CA 2.367 64.655 62.300 -0.020 0.000 1.030 111 V CB -0.836 30.973 31.823 -0.024 0.000 0.643 111 V HN 0.467 nan 8.190 nan 0.000 0.445 112 K N -0.348 120.055 120.400 0.005 0.000 2.063 112 K HA -0.246 4.074 4.320 0.000 0.000 0.208 112 K C 2.180 178.803 176.600 0.039 0.000 1.048 112 K CA 2.035 58.334 56.287 0.020 0.000 0.928 112 K CB -0.255 32.254 32.500 0.015 0.000 0.713 112 K HN 0.375 nan 8.250 nan 0.000 0.442 113 L N 1.468 122.720 121.223 0.048 0.000 2.027 113 L HA -0.130 4.210 4.340 0.000 0.000 0.206 113 L C 2.103 179.037 176.870 0.107 0.000 1.074 113 L CA 1.366 56.258 54.840 0.088 0.000 0.745 113 L CB -0.252 41.884 42.059 0.129 0.000 0.898 113 L HN 0.206 nan 8.230 nan 0.000 0.433 114 L N -0.569 120.717 121.223 0.106 0.000 2.042 114 L HA -0.248 4.092 4.340 0.000 0.000 0.210 114 L C 2.288 179.213 176.870 0.092 0.000 1.076 114 L CA 1.738 56.650 54.840 0.118 0.000 0.749 114 L CB -0.950 41.181 42.059 0.120 0.000 0.893 114 L HN 0.399 nan 8.230 nan 0.000 0.432 115 D N 0.424 120.866 120.400 0.069 0.000 2.104 115 D HA -0.212 4.429 4.640 0.000 0.000 0.194 115 D C 2.313 178.648 176.300 0.058 0.000 0.994 115 D CA 1.332 55.367 54.000 0.058 0.000 0.830 115 D CB -0.018 40.807 40.800 0.043 0.000 0.959 115 D HN 0.190 nan 8.370 nan 0.000 0.452 116 L N 0.076 121.333 121.223 0.058 0.000 2.042 116 L HA -0.168 4.173 4.340 0.000 0.000 0.210 116 L C 2.680 179.588 176.870 0.062 0.000 1.076 116 L CA 1.197 56.069 54.840 0.054 0.000 0.749 116 L CB -0.664 41.425 42.059 0.050 0.000 0.893 116 L HN 0.145 nan 8.230 nan 0.000 0.432 117 A N -0.035 122.832 122.820 0.079 0.000 1.877 117 A HA -0.239 4.081 4.320 0.000 0.000 0.216 117 A C 2.208 179.842 177.584 0.083 0.000 1.186 117 A CA 1.765 53.853 52.037 0.086 0.000 0.620 117 A CB -0.725 18.340 19.000 0.108 0.000 0.822 117 A HN 0.315 nan 8.150 nan 0.000 0.443 118 L N -0.054 121.220 121.223 0.085 0.000 2.017 118 L HA -0.030 4.310 4.340 0.000 0.000 0.208 118 L C 1.432 178.342 176.870 0.066 0.000 1.073 118 L CA 2.034 56.923 54.840 0.082 0.000 0.745 118 L CB -0.583 41.524 42.059 0.081 0.000 0.894 118 L HN 0.464 nan 8.230 nan 0.000 0.432 122 I N -2.456 118.153 120.570 0.065 0.000 2.846 122 I HA 0.819 4.989 4.170 0.000 0.000 0.307 122 I C -2.752 173.402 176.117 0.062 0.000 1.053 122 I CA -3.312 58.021 61.300 0.055 0.000 1.050 122 I CB 2.231 40.259 38.000 0.047 0.000 1.239 122 I HN -0.185 nan 8.210 nan 0.000 0.439 123 P HA 0.169 nan 4.420 nan 0.000 0.270 123 P C -0.886 176.450 177.300 0.061 0.000 1.223 123 P CA -0.213 62.912 63.100 0.041 0.000 0.785 123 P CB 0.756 32.459 31.700 0.005 0.000 0.923 124 V N 2.877 122.835 119.914 0.073 0.000 2.495 124 V HA 0.380 4.500 4.120 0.000 0.000 0.298 124 V C 0.021 176.133 176.094 0.031 0.000 1.031 124 V CA -0.369 61.982 62.300 0.085 0.000 0.871 124 V CB 1.388 33.299 31.823 0.147 0.000 0.988 124 V HN 0.292 nan 8.190 nan 0.000 0.432 125 I N 3.839 124.390 120.570 -0.033 0.000 2.382 125 I HA 0.633 4.803 4.170 0.000 0.000 0.286 125 I C 0.682 176.568 176.117 -0.385 0.000 1.002 125 I CA 0.066 61.285 61.300 -0.137 0.000 1.135 125 I CB 1.786 39.718 38.000 -0.114 0.000 1.288 125 I HN 0.678 nan 8.210 nan 0.000 0.448 126 G N 7.087 115.543 108.800 -0.573 0.000 2.370 126 G HA2 0.719 4.679 3.960 0.000 0.000 0.317 126 G HA3 0.719 4.679 3.960 0.000 0.000 0.317 126 G C -0.505 173.970 174.900 -0.708 0.000 1.162 126 G CA -0.426 43.811 45.100 -1.438 0.000 0.922 126 G HN 0.512 nan 8.290 nan 0.000 0.454 127 I N 2.767 122.967 120.570 -0.616 0.000 2.328 127 I HA 0.203 4.373 4.170 0.000 0.000 0.287 127 I C -0.313 175.789 176.117 -0.026 0.000 1.012 127 I CA -0.787 60.384 61.300 -0.215 0.000 1.195 127 I CB 1.171 39.078 38.000 -0.156 0.000 1.350 127 I HN 0.311 nan 8.210 nan 0.000 0.464 128 N N 5.596 124.321 118.700 0.042 0.000 2.438 128 N HA 0.256 4.996 4.740 0.000 0.000 0.282 128 N C -0.965 174.596 175.510 0.085 0.000 1.037 128 N CA -0.170 52.968 53.050 0.148 0.000 0.942 128 N CB 1.951 40.522 38.487 0.140 0.000 1.136 128 N HN 0.541 nan 8.380 nan 0.000 0.481 129 D N 0.726 121.211 120.400 0.141 0.000 2.634 129 D HA 0.141 4.781 4.640 0.000 0.000 0.236 129 D C -1.673 174.804 176.300 0.294 0.000 1.323 129 D CA -0.052 54.017 54.000 0.115 0.000 0.884 129 D CB 0.269 41.105 40.800 0.059 0.000 1.496 129 D HN 0.318 nan 8.370 nan 0.000 0.525 130 S N 0.733 116.595 115.700 0.271 0.000 2.592 130 S HA 0.529 5.000 4.470 0.000 0.000 0.275 130 S C 0.993 175.722 174.600 0.215 0.000 1.169 130 S CA -0.077 58.290 58.200 0.279 0.000 0.958 130 S CB 1.077 64.394 63.200 0.194 0.000 1.095 130 S HN 0.275 nan 8.310 nan 0.000 0.471 131 G N 2.115 111.051 108.800 0.227 0.000 2.625 131 G HA2 0.452 4.412 3.960 0.000 0.000 0.214 131 G HA3 0.452 4.412 3.960 0.000 0.000 0.214 131 G C 0.979 175.934 174.900 0.092 0.000 1.132 131 G CA 0.588 45.779 45.100 0.151 0.000 0.782 131 G HN 1.630 nan 8.290 nan 0.000 0.538 132 G N -1.236 107.624 108.800 0.101 0.000 2.297 132 G HA2 0.439 4.399 3.960 0.000 0.000 0.209 132 G HA3 0.439 4.399 3.960 0.000 0.000 0.209 132 G C -0.011 174.985 174.900 0.159 0.000 1.267 132 G CA -0.243 44.948 45.100 0.151 0.000 1.127 132 G HN 1.208 nan 8.290 nan 0.000 0.498 133 A N 0.025 122.981 122.820 0.228 0.000 2.540 133 A HA 0.547 4.867 4.320 0.000 0.000 0.239 133 A C 0.980 178.568 177.584 0.007 0.000 1.061 133 A CA 0.956 53.059 52.037 0.110 0.000 0.758 133 A CB 0.047 19.155 19.000 0.180 0.000 0.991 133 A HN 1.005 nan 8.150 nan 0.000 0.502 134 R N 2.904 123.365 120.500 -0.065 0.000 2.357 134 R HA 0.185 4.525 4.340 0.000 0.000 0.330 134 R C 0.449 176.748 176.300 -0.002 0.000 1.102 134 R CA -0.076 55.996 56.100 -0.046 0.000 0.974 134 R CB -0.294 29.962 30.300 -0.073 0.000 1.002 134 R HN 0.805 nan 8.270 nan 0.000 0.463 135 I N 3.292 123.865 120.570 0.005 0.000 2.361 135 I HA -0.289 3.882 4.170 0.000 0.000 0.251 135 I C 1.708 177.848 176.117 0.039 0.000 1.133 135 I CA 1.096 62.401 61.300 0.008 0.000 1.413 135 I CB 0.048 38.034 38.000 -0.025 0.000 1.073 135 I HN 0.631 nan 8.210 nan 0.000 0.424 136 Q N 0.629 120.478 119.800 0.081 0.000 2.226 136 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 136 Q C 1.775 177.970 176.000 0.325 0.000 0.975 136 Q CA 1.215 57.182 55.803 0.274 0.000 0.866 136 Q CB -0.175 28.732 28.738 0.280 0.000 0.915 136 Q HN 0.508 nan 8.270 nan 0.000 0.440 137 E N -0.549 119.770 120.200 0.198 0.000 2.435 137 E HA 0.094 4.445 4.350 0.000 0.000 0.195 137 E C 0.996 177.672 176.600 0.126 0.000 1.029 137 E CA 0.308 56.840 56.400 0.220 0.000 0.865 137 E CB 0.129 29.903 29.700 0.123 0.000 0.833 137 E HN 0.367 nan 8.360 nan 0.000 0.510 138 G N 1.289 110.126 108.800 0.062 0.000 2.556 138 G HA2 -0.399 3.561 3.960 0.000 0.000 0.283 138 G HA3 -0.399 3.561 3.960 0.000 0.000 0.283 138 G C 0.876 175.789 174.900 0.021 0.000 1.177 138 G CA 0.153 45.259 45.100 0.009 0.000 0.978 138 G HN 0.240 nan 8.290 nan 0.000 0.554 139 V N 1.428 121.349 119.914 0.012 0.000 2.759 139 V HA -0.028 4.092 4.120 0.000 0.000 0.256 139 V C 2.408 178.517 176.094 0.025 0.000 1.080 139 V CA 3.018 65.333 62.300 0.024 0.000 1.101 139 V CB -0.663 31.172 31.823 0.020 0.000 0.698 139 V HN 0.620 nan 8.190 nan 0.000 0.477 140 D N 0.649 121.071 120.400 0.036 0.000 2.178 140 D HA -0.106 4.534 4.640 0.000 0.000 0.201 140 D C 2.201 178.485 176.300 -0.026 0.000 0.980 140 D CA 1.502 55.517 54.000 0.023 0.000 0.842 140 D CB -0.187 40.650 40.800 0.062 0.000 0.948 140 D HN 0.570 nan 8.370 nan 0.000 0.472 141 A N 0.609 123.408 122.820 -0.035 0.000 1.898 141 A HA -0.091 4.230 4.320 0.000 0.000 0.216 141 A C 2.367 179.876 177.584 -0.126 0.000 1.181 141 A CA 0.738 52.701 52.037 -0.123 0.000 0.620 141 A CB -0.616 18.332 19.000 -0.087 0.000 0.819 141 A HN 0.195 nan 8.150 nan 0.000 0.442 142 L N -0.871 120.357 121.223 0.007 0.000 2.093 142 L HA -0.160 4.180 4.340 0.000 0.000 0.208 142 L C 3.113 179.995 176.870 0.020 0.000 1.085 142 L CA 0.952 55.844 54.840 0.085 0.000 0.755 142 L CB -0.699 41.417 42.059 0.095 0.000 0.904 142 L HN 0.443 nan 8.230 nan 0.000 0.435 143 A N 0.706 123.518 122.820 -0.013 0.000 1.917 143 A HA -0.178 4.142 4.320 0.000 0.000 0.219 143 A C 2.406 179.940 177.584 -0.085 0.000 1.182 143 A CA 1.956 53.974 52.037 -0.032 0.000 0.633 143 A CB -1.310 17.678 19.000 -0.018 0.000 0.819 143 A HN 0.446 nan 8.150 nan 0.000 0.448 144 G N -1.577 107.143 108.800 -0.133 0.000 2.459 144 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 144 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 144 G C 1.466 176.207 174.900 -0.265 0.000 1.183 144 G CA 1.285 46.262 45.100 -0.204 0.000 0.776 144 G HN 0.482 nan 8.290 nan 0.000 0.552 145 Y N 1.469 121.579 120.300 -0.316 0.000 2.165 145 Y HA -0.063 4.487 4.550 0.000 0.000 0.286 145 Y C 3.074 178.259 175.900 -1.191 0.000 1.155 145 Y CA 0.712 58.405 58.100 -0.678 0.000 1.164 145 Y CB -0.953 37.196 38.460 -0.517 0.000 0.978 145 Y HN 0.190 nan 8.280 nan 0.000 0.513 146 G N -0.410 108.101 108.800 -0.482 0.000 2.440 146 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 146 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 146 G C 1.589 176.392 174.900 -0.162 0.000 1.154 146 G CA 1.057 45.990 45.100 -0.277 0.000 0.767 146 G HN 0.405 nan 8.290 nan 0.000 0.552 147 E N 0.072 120.190 120.200 -0.138 0.000 2.077 147 E HA -0.087 4.263 4.350 0.000 0.000 0.193 147 E C 2.574 179.146 176.600 -0.047 0.000 0.989 147 E CA 0.683 57.045 56.400 -0.063 0.000 0.800 147 E CB -0.160 29.505 29.700 -0.058 0.000 0.746 147 E HN 0.514 nan 8.360 nan 0.000 0.452 148 I N 0.662 121.161 120.570 -0.119 0.000 2.226 148 I HA -0.267 3.903 4.170 0.000 0.000 0.245 148 I C 2.097 178.310 176.117 0.160 0.000 1.100 148 I CA 0.992 62.282 61.300 -0.015 0.000 1.374 148 I CB -0.273 37.711 38.000 -0.027 0.000 1.057 148 I HN 0.017 nan 8.210 nan 0.000 0.413 149 F N 0.144 120.158 119.950 0.106 0.000 2.146 149 F HA -0.183 4.344 4.527 0.000 0.000 0.298 149 F C 2.262 178.097 175.800 0.058 0.000 1.096 149 F CA 0.800 58.850 58.000 0.083 0.000 1.275 149 F CB -1.335 37.702 39.000 0.061 0.000 1.008 149 F HN 0.033 nan 8.300 nan 0.000 0.480 150 L N 0.662 122.018 121.223 0.222 0.000 2.012 150 L HA -0.183 4.157 4.340 0.000 0.000 0.210 150 L C 2.481 179.421 176.870 0.118 0.000 1.073 150 L CA 1.809 56.730 54.840 0.134 0.000 0.748 150 L CB -0.645 41.465 42.059 0.086 0.000 0.891 150 L HN -0.087 nan 8.230 nan 0.000 0.431 151 R N 0.098 120.667 120.500 0.115 0.000 2.096 151 R HA -0.104 4.236 4.340 0.000 0.000 0.235 151 R C 2.062 178.440 176.300 0.131 0.000 1.127 151 R CA 1.731 57.895 56.100 0.107 0.000 0.968 151 R CB -1.541 28.816 30.300 0.094 0.000 0.861 151 R HN 0.618 nan 8.270 nan 0.000 0.440 152 N N -0.324 118.477 118.700 0.167 0.000 2.120 152 N HA -0.120 4.620 4.740 0.000 0.000 0.188 152 N C 1.453 177.042 175.510 0.132 0.000 1.024 152 N CA 1.760 54.913 53.050 0.170 0.000 0.852 152 N CB -0.141 38.470 38.487 0.207 0.000 1.003 152 N HN 0.163 nan 8.380 nan 0.000 0.424 153 T N 1.396 116.020 114.554 0.116 0.000 2.708 153 T HA -0.064 4.286 4.350 0.000 0.000 0.266 153 T C 1.943 176.684 174.700 0.069 0.000 1.037 153 T CA 0.841 62.986 62.100 0.075 0.000 1.146 153 T CB -0.270 68.632 68.868 0.058 0.000 0.865 153 T HN 0.152 nan 8.240 nan 0.000 0.435 154 L N 0.577 121.846 121.223 0.077 0.000 2.141 154 L HA 0.034 4.374 4.340 0.000 0.000 0.209 154 L C 2.822 179.738 176.870 0.077 0.000 1.094 154 L CA 0.931 55.812 54.840 0.068 0.000 0.763 154 L CB -0.495 41.604 42.059 0.066 0.000 0.908 154 L HN 0.233 nan 8.230 nan 0.000 0.437 155 A N -1.278 121.602 122.820 0.100 0.000 2.169 155 A HA -0.013 4.308 4.320 0.000 0.000 0.212 155 A C 1.422 179.093 177.584 0.146 0.000 1.153 155 A CA 0.114 52.225 52.037 0.123 0.000 0.756 155 A CB -0.174 18.910 19.000 0.141 0.000 0.813 155 A HN 0.227 nan 8.150 nan 0.000 0.471 156 S N 0.047 115.820 115.700 0.122 0.000 2.515 156 S HA 0.379 4.850 4.470 0.000 0.000 0.285 156 S C 1.376 176.020 174.600 0.074 0.000 1.265 156 S CA 0.828 59.103 58.200 0.126 0.000 1.079 156 S CB -0.289 62.959 63.200 0.081 0.000 0.877 156 S HN 1.752 nan 8.310 nan 0.000 0.493 157 G N 2.972 111.830 108.800 0.096 0.000 2.148 157 G HA2 -0.228 3.732 3.960 0.000 0.000 0.254 157 G HA3 -0.228 3.732 3.960 0.000 0.000 0.254 157 G C 0.505 175.222 174.900 -0.305 0.000 0.981 157 G CA 0.377 45.317 45.100 -0.267 0.000 0.670 157 G HN 0.795 nan 8.290 nan 0.000 0.528 158 V N -0.815 119.142 119.914 0.071 0.000 2.854 158 V HA 0.412 4.532 4.120 0.000 0.000 0.236 158 V C 1.301 177.599 176.094 0.341 0.000 1.157 158 V CA 1.325 63.695 62.300 0.116 0.000 1.187 158 V CB 0.741 32.620 31.823 0.093 0.000 0.949 158 V HN 1.110 nan 8.190 nan 0.000 0.488 159 V N -1.920 118.217 119.914 0.371 0.000 2.735 159 V HA 0.701 4.822 4.120 0.000 0.000 0.310 159 V C -3.110 173.141 176.094 0.262 0.000 1.061 159 V CA -2.843 59.643 62.300 0.310 0.000 0.913 159 V CB 1.574 33.500 31.823 0.171 0.000 1.005 159 V HN 0.148 nan 8.190 nan 0.000 0.428 160 P HA 0.320 nan 4.420 nan 0.000 0.271 160 P C -1.026 176.327 177.300 0.090 0.000 1.216 160 P CA 0.227 63.289 63.100 -0.064 0.000 0.771 160 P CB 0.247 31.828 31.700 -0.199 0.000 0.864 161 Q N 2.432 122.319 119.800 0.146 0.000 2.309 161 Q HA 0.552 4.893 4.340 0.000 0.000 0.270 161 Q C -0.708 175.362 176.000 0.117 0.000 1.023 161 Q CA -0.400 55.481 55.803 0.130 0.000 0.758 161 Q CB 1.575 30.405 28.738 0.153 0.000 1.247 161 Q HN 0.407 nan 8.270 nan 0.000 0.455 162 I N 1.247 121.872 120.570 0.091 0.000 2.474 162 I HA 0.433 4.603 4.170 0.000 0.000 0.294 162 I C -0.253 175.885 176.117 0.036 0.000 1.005 162 I CA -0.475 60.883 61.300 0.096 0.000 1.113 162 I CB 2.388 40.428 38.000 0.066 0.000 1.289 162 I HN 0.399 nan 8.210 nan 0.000 0.436 163 T N 4.961 119.552 114.554 0.062 0.000 2.829 163 T HA 0.568 4.918 4.350 0.000 0.000 0.280 163 T C -0.563 174.149 174.700 0.020 0.000 0.999 163 T CA -0.494 61.620 62.100 0.023 0.000 0.983 163 T CB 1.869 70.778 68.868 0.069 0.000 0.968 163 T HN 0.177 nan 8.240 nan 0.000 0.446 164 V N 4.642 124.535 119.914 -0.034 0.000 2.448 164 V HA 0.439 4.559 4.120 0.000 0.000 0.295 164 V C -0.350 175.731 176.094 -0.021 0.000 1.025 164 V CA -0.976 61.311 62.300 -0.022 0.000 0.859 164 V CB 1.486 33.275 31.823 -0.057 0.000 0.988 164 V HN 0.726 nan 8.190 nan 0.000 0.431 165 I N 4.236 124.801 120.570 -0.009 0.000 2.297 165 I HA 0.459 4.629 4.170 0.000 0.000 0.291 165 I C 0.829 176.921 176.117 -0.041 0.000 1.033 165 I CA 0.044 61.328 61.300 -0.027 0.000 1.253 165 I CB 0.964 38.936 38.000 -0.046 0.000 1.396 165 I HN 0.748 nan 8.210 nan 0.000 0.476 166 A N 4.536 127.323 122.820 -0.056 0.000 2.589 166 A HA 0.735 5.055 4.320 0.000 0.000 0.283 166 A C 0.681 178.194 177.584 -0.119 0.000 1.187 166 A CA 0.231 52.221 52.037 -0.077 0.000 0.957 166 A CB 0.288 19.242 19.000 -0.077 0.000 1.175 166 A HN 0.845 nan 8.150 nan 0.000 0.532 167 G N -0.387 108.334 108.800 -0.132 0.000 2.435 167 G HA2 0.495 4.455 3.960 0.000 0.000 0.296 167 G HA3 0.495 4.455 3.960 0.000 0.000 0.296 167 G C -3.428 171.364 174.900 -0.180 0.000 1.240 167 G CA -0.572 44.398 45.100 -0.217 0.000 0.872 167 G HN -0.068 nan 8.290 nan 0.000 0.480 168 P HA 0.347 nan 4.420 nan 0.000 0.268 168 P C -0.463 176.764 177.300 -0.121 0.000 1.208 168 P CA 0.115 63.123 63.100 -0.152 0.000 0.777 168 P CB 1.278 32.949 31.700 -0.048 0.000 0.875 169 C N 2.520 121.682 119.300 -0.231 0.000 3.309 169 C HA 0.650 5.110 4.460 0.000 0.000 0.335 169 C C -0.422 174.360 174.990 -0.347 0.000 1.018 169 C CA -0.080 58.820 59.018 -0.197 0.000 1.326 169 C CB -0.829 26.808 27.740 -0.172 0.000 1.752 169 C HN 0.682 nan 8.230 nan 0.000 0.567 170 A N 3.569 126.241 122.820 -0.246 0.000 2.340 170 A HA 0.951 5.272 4.320 0.000 0.000 0.331 170 A C 0.814 178.341 177.584 -0.095 0.000 1.140 170 A CA 0.793 52.693 52.037 -0.229 0.000 0.801 170 A CB 0.861 19.816 19.000 -0.074 0.000 1.234 170 A HN 2.622 nan 8.150 nan 0.000 0.469 171 G N 1.123 109.887 108.800 -0.060 0.000 2.528 171 G HA2 0.037 3.997 3.960 0.000 0.000 0.262 171 G HA3 0.037 3.997 3.960 0.000 0.000 0.262 171 G C 1.238 176.015 174.900 -0.206 0.000 1.200 171 G CA 0.626 45.689 45.100 -0.063 0.000 0.951 171 G HN 2.002 nan 8.290 nan 0.000 0.566 172 G N 0.243 108.921 108.800 -0.204 0.000 2.470 172 G HA2 0.262 4.222 3.960 0.000 0.000 0.220 172 G HA3 0.262 4.222 3.960 0.000 0.000 0.220 172 G C 2.146 176.652 174.900 -0.657 0.000 1.121 172 G CA 2.770 47.665 45.100 -0.342 0.000 0.766 172 G HN 1.986 nan 8.290 nan 0.000 0.553 173 A N 0.909 123.343 122.820 -0.644 0.000 1.940 173 A HA -0.160 4.160 4.320 0.000 0.000 0.221 173 A C 2.752 180.239 177.584 -0.163 0.000 1.190 173 A CA 2.962 54.832 52.037 -0.278 0.000 0.647 173 A CB -1.031 17.957 19.000 -0.019 0.000 0.821 173 A HN 1.050 nan 8.150 nan 0.000 0.457 174 V N -3.929 115.801 119.914 -0.306 0.000 2.568 174 V HA -0.252 3.868 4.120 0.000 0.000 0.253 174 V C 2.190 178.089 176.094 -0.326 0.000 1.072 174 V CA 2.049 64.140 62.300 -0.348 0.000 1.084 174 V CB -1.384 30.146 31.823 -0.488 0.000 0.676 174 V HN 0.520 nan 8.190 nan 0.000 0.469 175 Y N 1.133 121.296 120.300 -0.228 0.000 2.373 175 Y HA 0.015 4.565 4.550 0.000 0.000 0.293 175 Y C 3.112 178.828 175.900 -0.307 0.000 1.129 175 Y CA 1.095 58.946 58.100 -0.416 0.000 1.226 175 Y CB -0.886 37.027 38.460 -0.911 0.000 1.000 175 Y HN 0.375 nan 8.280 nan 0.000 0.549 176 S N 0.050 115.829 115.700 0.132 0.000 2.345 176 S HA -0.088 4.382 4.470 0.000 0.000 0.220 176 S C -0.469 174.236 174.600 0.175 0.000 1.031 176 S CA 1.182 59.549 58.200 0.277 0.000 0.996 176 S CB -1.132 62.341 63.200 0.455 0.000 0.882 176 S HN 0.165 nan 8.310 nan 0.000 0.445 177 P HA -0.127 nan 4.420 nan 0.000 0.216 177 P C 1.514 178.847 177.300 0.054 0.000 1.157 177 P CA 1.952 65.102 63.100 0.083 0.000 0.880 177 P CB -0.410 31.304 31.700 0.023 0.000 0.791 178 A N -0.855 121.977 122.820 0.020 0.000 1.948 178 A HA -0.184 4.136 4.320 0.000 0.000 0.220 178 A C 2.204 179.804 177.584 0.028 0.000 1.177 178 A CA 1.698 53.746 52.037 0.020 0.000 0.636 178 A CB -1.693 17.330 19.000 0.038 0.000 0.815 178 A HN 0.173 nan 8.150 nan 0.000 0.449 179 L N 0.258 121.500 121.223 0.031 0.000 2.478 179 L HA 0.008 4.348 4.340 0.000 0.000 0.223 179 L C 1.585 178.494 176.870 0.065 0.000 1.140 179 L CA 0.606 55.467 54.840 0.036 0.000 0.842 179 L CB -0.685 41.399 42.059 0.042 0.000 0.953 179 L HN 0.539 nan 8.230 nan 0.000 0.452 180 T N -4.257 110.342 114.554 0.075 0.000 2.788 180 T HA 0.055 4.405 4.350 0.000 0.000 0.287 180 T C 0.787 175.475 174.700 -0.021 0.000 1.007 180 T CA -0.639 61.503 62.100 0.070 0.000 1.005 180 T CB 1.066 69.992 68.868 0.097 0.000 1.012 180 T HN -0.014 nan 8.240 nan 0.000 0.530 181 D N -0.233 120.112 120.400 -0.090 0.000 2.137 181 D HA 0.108 4.748 4.640 0.000 0.000 0.202 181 D C -0.100 175.604 176.300 -0.993 0.000 0.970 181 D CA 1.213 54.941 54.000 -0.454 0.000 0.837 181 D CB -0.016 40.531 40.800 -0.422 0.000 0.981 181 D HN 0.474 nan 8.370 nan 0.000 0.475 182 F N -0.109 119.694 119.950 -0.245 0.000 2.569 182 F HA 0.451 4.978 4.527 0.001 0.000 0.312 182 F C -0.225 175.566 175.800 -0.015 0.000 1.109 182 F CA -0.890 56.898 58.000 -0.353 0.000 0.919 182 F CB 1.907 40.839 39.000 -0.114 0.000 1.211 182 F HN -0.351 nan 8.300 nan 0.000 0.446 183 I N 3.774 124.584 120.570 0.400 0.000 2.389 183 I HA 0.500 4.670 4.170 0.000 0.000 0.288 183 I C -0.489 175.870 176.117 0.404 0.000 0.999 183 I CA -0.816 60.688 61.300 0.341 0.000 1.129 183 I CB 1.470 39.618 38.000 0.246 0.000 1.288 183 I HN 0.271 nan 8.210 nan 0.000 0.444 187 D N 4.668 125.056 120.400 -0.019 0.000 2.493 187 D HA 0.345 4.986 4.640 0.000 0.000 0.240 187 D C 1.011 177.290 176.300 -0.035 0.000 1.142 187 D CA 1.190 55.172 54.000 -0.031 0.000 0.872 187 D CB 0.778 41.557 40.800 -0.036 0.000 1.173 187 D HN 0.608 nan 8.370 nan 0.000 0.467 188 Q N 1.122 120.901 119.800 -0.035 0.000 3.595 188 Q HA -0.280 4.061 4.340 0.000 0.000 0.208 188 Q C 1.629 177.606 176.000 -0.039 0.000 2.563 188 Q CA 2.441 58.224 55.803 -0.034 0.000 0.537 188 Q CB -2.279 26.440 28.738 -0.033 0.000 0.475 188 Q HN 0.746 nan 8.270 nan 0.000 0.677 189 T N -1.601 112.922 114.554 -0.052 0.000 3.035 189 T HA 0.503 4.853 4.350 0.000 0.000 0.259 189 T C 0.858 175.503 174.700 -0.091 0.000 1.078 189 T CA 0.743 62.796 62.100 -0.078 0.000 1.132 189 T CB 0.034 68.847 68.868 -0.091 0.000 0.900 189 T HN 0.587 nan 8.240 nan 0.000 0.480 190 A N 1.359 124.139 122.820 -0.066 0.000 2.363 190 A HA 0.758 5.078 4.320 0.000 0.000 0.270 190 A C 0.222 177.783 177.584 -0.038 0.000 1.121 190 A CA -0.725 51.273 52.037 -0.065 0.000 0.800 190 A CB 0.379 19.353 19.000 -0.043 0.000 1.052 190 A HN 0.561 nan 8.150 nan 0.000 0.493 194 I N 0.753 121.417 120.570 0.156 0.000 2.162 194 I HA -0.044 4.126 4.170 0.000 0.000 0.238 194 I C 1.159 177.362 176.117 0.144 0.000 1.076 194 I CA 2.106 63.430 61.300 0.039 0.000 1.353 194 I CB -0.490 37.500 38.000 -0.016 0.000 1.063 194 I HN 0.816 nan 8.210 nan 0.000 0.408 195 T N -1.094 113.549 114.554 0.149 0.000 2.856 195 T HA 0.666 5.016 4.350 0.000 0.000 0.283 195 T C 0.110 174.787 174.700 -0.038 0.000 1.008 195 T CA -0.704 61.450 62.100 0.089 0.000 0.997 195 T CB 2.195 71.073 68.868 0.016 0.000 0.992 195 T HN 0.245 nan 8.240 nan 0.000 0.454 196 G N 1.583 110.315 108.800 -0.113 0.000 2.580 196 G HA2 0.494 4.454 3.960 0.000 0.000 0.278 196 G HA3 0.494 4.454 3.960 0.000 0.000 0.278 196 G C -1.657 173.007 174.900 -0.394 0.000 1.212 196 G CA -1.812 42.969 45.100 -0.531 0.000 0.939 196 G HN 0.536 nan 8.290 nan 0.000 0.513 197 P HA -0.097 nan 4.420 nan 0.000 0.219 197 P C 1.478 178.692 177.300 -0.142 0.000 1.146 197 P CA 0.870 63.819 63.100 -0.252 0.000 0.808 197 P CB 0.269 31.838 31.700 -0.217 0.000 0.779 198 N N -1.006 117.628 118.700 -0.110 0.000 2.207 198 N HA -0.050 4.690 4.740 0.000 0.000 0.182 198 N C 1.747 177.225 175.510 -0.053 0.000 1.020 198 N CA 0.854 53.865 53.050 -0.064 0.000 0.858 198 N CB -0.878 37.584 38.487 -0.041 0.000 0.991 198 N HN 0.002 nan 8.380 nan 0.000 0.427 199 V N 2.201 122.083 119.914 -0.053 0.000 2.295 199 V HA -0.178 3.942 4.120 0.000 0.000 0.246 199 V C 2.343 178.410 176.094 -0.045 0.000 1.049 199 V CA 1.220 63.498 62.300 -0.038 0.000 1.024 199 V CB -0.446 31.363 31.823 -0.025 0.000 0.648 199 V HN 0.197 nan 8.190 nan 0.000 0.447 200 I N 0.101 120.630 120.570 -0.068 0.000 2.163 200 I HA -0.305 3.865 4.170 0.000 0.000 0.243 200 I C 2.597 178.682 176.117 -0.053 0.000 1.085 200 I CA 2.083 63.344 61.300 -0.065 0.000 1.347 200 I CB -0.381 37.562 38.000 -0.094 0.000 1.044 200 I HN 0.289 nan 8.210 nan 0.000 0.408 201 K N 1.617 121.983 120.400 -0.058 0.000 2.063 201 K HA -0.161 4.160 4.320 0.000 0.000 0.208 201 K C 2.039 178.619 176.600 -0.033 0.000 1.048 201 K CA 1.749 58.009 56.287 -0.045 0.000 0.928 201 K CB -0.294 32.178 32.500 -0.047 0.000 0.713 201 K HN 0.276 nan 8.250 nan 0.000 0.442 202 A N -0.050 122.751 122.820 -0.031 0.000 1.933 202 A HA -0.056 4.264 4.320 0.000 0.000 0.218 202 A C 2.183 179.755 177.584 -0.019 0.000 1.175 202 A CA 1.777 53.800 52.037 -0.023 0.000 0.628 202 A CB -0.340 18.648 19.000 -0.020 0.000 0.814 202 A HN 0.168 nan 8.150 nan 0.000 0.444 203 V N -0.764 119.138 119.914 -0.020 0.000 2.672 203 V HA -0.064 4.056 4.120 0.000 0.000 0.242 203 V C 2.641 178.725 176.094 -0.016 0.000 1.059 203 V CA 2.027 64.317 62.300 -0.015 0.000 1.081 203 V CB -0.321 31.494 31.823 -0.014 0.000 0.752 203 V HN 0.763 nan 8.190 nan 0.000 0.472 204 T N -3.326 111.216 114.554 -0.020 0.000 3.015 204 T HA 0.317 4.667 4.350 0.000 0.000 0.250 204 T C 1.630 176.318 174.700 -0.021 0.000 1.057 204 T CA 1.100 63.189 62.100 -0.019 0.000 1.066 204 T CB 0.850 69.704 68.868 -0.023 0.000 0.959 204 T HN 0.938 nan 8.240 nan 0.000 0.488 205 G N 1.514 110.299 108.800 -0.024 0.000 2.179 205 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 205 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 205 G C -0.232 174.651 174.900 -0.028 0.000 0.977 205 G CA 0.095 45.181 45.100 -0.024 0.000 0.641 205 G HN 0.671 nan 8.290 nan 0.000 0.533 206 E N 0.990 121.170 120.200 -0.033 0.000 2.290 206 E HA 0.412 4.762 4.350 0.000 0.000 0.277 206 E C -0.110 176.461 176.600 -0.047 0.000 1.035 206 E CA -0.011 56.366 56.400 -0.039 0.000 0.873 206 E CB 0.607 30.282 29.700 -0.042 0.000 1.029 206 E HN 0.541 nan 8.360 nan 0.000 0.419 207 E N 3.124 123.297 120.200 -0.044 0.000 2.109 207 E HA 0.456 4.807 4.350 0.000 0.000 0.278 207 E C -0.648 175.920 176.600 -0.054 0.000 0.954 207 E CA -0.193 56.178 56.400 -0.047 0.000 0.779 207 E CB 1.262 30.940 29.700 -0.037 0.000 1.093 207 E HN 0.363 nan 8.360 nan 0.000 0.401 208 I N 1.709 122.237 120.570 -0.069 0.000 2.827 208 I HA 0.246 4.416 4.170 0.000 0.000 0.298 208 I C -0.554 175.513 176.117 -0.084 0.000 1.235 208 I CA -0.647 60.609 61.300 -0.075 0.000 1.021 208 I CB 1.909 39.856 38.000 -0.087 0.000 1.259 208 I HN 0.591 nan 8.210 nan 0.000 0.427 209 S N 4.693 120.353 115.700 -0.066 0.000 2.603 209 S HA 0.233 4.703 4.470 0.000 0.000 0.268 209 S C 0.649 175.211 174.600 -0.065 0.000 1.317 209 S CA -0.400 57.768 58.200 -0.054 0.000 1.012 209 S CB 1.576 64.757 63.200 -0.031 0.000 0.926 209 S HN 0.781 nan 8.310 nan 0.000 0.539 210 Q N 0.134 119.914 119.800 -0.033 0.000 2.135 210 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 210 Q C 1.940 178.004 176.000 0.105 0.000 0.981 210 Q CA 1.836 57.666 55.803 0.045 0.000 0.856 210 Q CB -0.230 28.612 28.738 0.173 0.000 0.902 210 Q HN 0.891 nan 8.270 nan 0.000 0.425 211 E N 1.114 121.342 120.200 0.046 0.000 2.072 211 E HA -0.173 4.177 4.350 0.000 0.000 0.191 211 E C 1.232 177.824 176.600 -0.014 0.000 0.985 211 E CA 1.443 57.856 56.400 0.022 0.000 0.801 211 E CB -0.020 29.679 29.700 -0.002 0.000 0.750 211 E HN 0.236 nan 8.360 nan 0.000 0.452 212 D N -0.338 120.043 120.400 -0.032 0.000 2.224 212 D HA -0.094 4.546 4.640 0.000 0.000 0.205 212 D C 1.850 178.107 176.300 -0.071 0.000 0.965 212 D CA 0.471 54.439 54.000 -0.055 0.000 0.852 212 D CB -0.080 40.688 40.800 -0.052 0.000 0.947 212 D HN 0.214 nan 8.370 nan 0.000 0.494 213 L N -0.234 120.951 121.223 -0.063 0.000 2.068 213 L HA 0.152 4.492 4.340 0.000 0.000 0.204 213 L C 1.557 178.406 176.870 -0.034 0.000 1.076 213 L CA 1.769 56.565 54.840 -0.074 0.000 0.753 213 L CB -0.038 41.921 42.059 -0.166 0.000 0.910 213 L HN 0.059 nan 8.230 nan 0.000 0.439 214 G N -1.318 107.529 108.800 0.078 0.000 5.129 214 G HA2 0.350 4.311 3.960 0.000 0.000 0.253 214 G HA3 0.350 4.311 3.960 0.000 0.000 0.253 214 G C 0.457 175.438 174.900 0.135 0.000 0.912 214 G CA 0.086 45.270 45.100 0.141 0.000 0.729 214 G HN 0.604 nan 8.290 nan 0.000 0.373 215 G N 0.294 109.110 108.800 0.027 0.000 2.684 215 G HA2 0.569 4.529 3.960 0.000 0.000 0.255 215 G HA3 0.569 4.529 3.960 0.000 0.000 0.255 215 G C 0.854 175.776 174.900 0.036 0.000 1.219 215 G CA 0.348 45.466 45.100 0.030 0.000 0.901 215 G HN 0.762 nan 8.290 nan 0.000 0.548 219 H N 0.751 119.781 119.070 -0.067 0.000 2.529 219 H HA 0.170 4.726 4.556 0.000 0.000 0.277 219 H C 1.836 177.078 175.328 -0.143 0.000 0.999 219 H CA 1.065 57.049 56.048 -0.106 0.000 1.256 219 H CB 0.168 29.874 29.762 -0.094 0.000 1.402 219 H HN 0.437 nan 8.280 nan 0.000 0.566 220 N N 0.444 119.146 118.700 0.003 0.000 2.376 220 N HA -0.090 4.650 4.740 0.000 0.000 0.177 220 N C 1.827 177.399 175.510 0.103 0.000 1.024 220 N CA 0.460 53.522 53.050 0.021 0.000 0.893 220 N CB 0.522 39.036 38.487 0.044 0.000 0.980 220 N HN 0.489 nan 8.380 nan 0.000 0.439 221 Q N 0.371 120.212 119.800 0.068 0.000 2.481 221 Q HA 0.090 4.430 4.340 0.000 0.000 0.219 221 Q C 1.233 177.372 176.000 0.231 0.000 0.920 221 Q CA 0.380 56.275 55.803 0.153 0.000 0.915 221 Q CB 0.569 29.327 28.738 0.035 0.000 1.057 221 Q HN 0.063 nan 8.270 nan 0.000 0.581 222 K N -0.168 120.295 120.400 0.105 0.000 2.161 222 K HA 0.055 4.375 4.320 0.000 0.000 0.205 222 K C 2.131 178.803 176.600 0.119 0.000 1.035 222 K CA 1.046 57.400 56.287 0.112 0.000 0.970 222 K CB 0.165 32.667 32.500 0.003 0.000 0.866 222 K HN 0.120 nan 8.250 nan 0.000 0.461 223 S N -0.199 115.482 115.700 -0.032 0.000 2.461 223 S HA 0.042 4.512 4.470 0.000 0.000 0.228 223 S C 1.598 176.016 174.600 -0.304 0.000 1.005 223 S CA 0.793 58.953 58.200 -0.067 0.000 0.942 223 S CB 0.017 63.232 63.200 0.026 0.000 0.776 223 S HN 0.471 nan 8.310 nan 0.000 0.514 224 G N 1.743 110.107 108.800 -0.727 0.000 2.168 224 G HA2 -0.299 3.662 3.960 0.000 0.000 0.263 224 G HA3 -0.299 3.662 3.960 0.000 0.000 0.263 224 G C 0.740 175.209 174.900 -0.719 0.000 0.977 224 G CA 0.451 44.667 45.100 -1.473 0.000 0.659 224 G HN 0.526 nan 8.290 nan 0.000 0.533 225 N N 0.443 118.922 118.700 -0.369 0.000 2.354 225 N HA 0.262 5.002 4.740 0.000 0.000 0.179 225 N C 1.216 176.544 175.510 -0.304 0.000 1.021 225 N CA 1.325 54.222 53.050 -0.255 0.000 0.887 225 N CB 0.038 38.432 38.487 -0.156 0.000 0.974 225 N HN 0.966 nan 8.380 nan 0.000 0.437 226 A N -0.719 121.911 122.820 -0.316 0.000 2.354 226 A HA 0.606 4.926 4.320 0.000 0.000 0.321 226 A C -0.314 177.024 177.584 -0.409 0.000 1.125 226 A CA -0.500 51.403 52.037 -0.223 0.000 0.799 226 A CB 0.801 19.785 19.000 -0.027 0.000 1.293 226 A HN 0.201 nan 8.150 nan 0.000 0.452 227 H N -0.503 118.508 119.070 -0.099 0.000 2.855 227 H HA 0.416 4.972 4.556 0.000 0.000 0.259 227 H C -0.940 173.940 175.328 -0.746 0.000 0.972 227 H CA 0.557 56.371 56.048 -0.390 0.000 1.213 227 H CB 0.431 29.978 29.762 -0.358 0.000 1.451 227 H HN 0.502 nan 8.280 nan 0.000 0.484 228 F N 0.073 120.105 119.950 0.136 0.000 2.613 228 F HA 0.416 4.943 4.527 0.000 0.000 0.310 228 F C -1.177 174.670 175.800 0.079 0.000 1.085 228 F CA -1.304 56.736 58.000 0.067 0.000 0.945 228 F CB 2.157 41.166 39.000 0.016 0.000 1.298 228 F HN -0.235 nan 8.300 nan 0.000 0.455 229 L N 2.398 123.792 121.223 0.284 0.000 2.372 229 L HA 0.876 5.217 4.340 0.000 0.000 0.273 229 L C -0.827 176.124 176.870 0.135 0.000 0.989 229 L CA -0.588 54.352 54.840 0.167 0.000 0.841 229 L CB 0.840 42.969 42.059 0.117 0.000 1.225 229 L HN 0.710 nan 8.230 nan 0.000 0.414 230 A N 3.225 126.094 122.820 0.082 0.000 2.312 230 A HA 0.480 4.800 4.320 0.000 0.000 0.326 230 A C 0.485 178.079 177.584 0.017 0.000 1.172 230 A CA -0.459 51.604 52.037 0.043 0.000 0.821 230 A CB 0.588 19.598 19.000 0.018 0.000 1.166 230 A HN 0.784 nan 8.150 nan 0.000 0.493 231 D N 0.343 120.749 120.400 0.010 0.000 2.178 231 D HA -0.014 4.626 4.640 0.000 0.000 0.202 231 D C 0.366 176.656 176.300 -0.016 0.000 0.974 231 D CA 2.190 56.188 54.000 -0.004 0.000 0.841 231 D CB 0.057 40.857 40.800 -0.001 0.000 0.953 231 D HN 0.798 nan 8.370 nan 0.000 0.478 232 N N -1.895 116.793 118.700 -0.019 0.000 3.106 232 N HA 0.103 4.843 4.740 0.000 0.000 0.253 232 N C -0.316 175.172 175.510 -0.037 0.000 1.506 232 N CA -0.580 52.451 53.050 -0.031 0.000 0.876 232 N CB 0.578 39.045 38.487 -0.032 0.000 1.452 232 N HN -0.419 nan 8.380 nan 0.000 0.542 233 D N 0.026 120.396 120.400 -0.049 0.000 2.123 233 D HA -0.167 4.473 4.640 0.000 0.000 0.196 233 D C 1.160 177.426 176.300 -0.057 0.000 0.992 233 D CA 1.475 55.440 54.000 -0.059 0.000 0.833 233 D CB -0.080 40.677 40.800 -0.072 0.000 0.954 233 D HN 0.760 nan 8.370 nan 0.000 0.455 234 E N 0.815 120.983 120.200 -0.052 0.000 2.048 234 E HA -0.233 4.117 4.350 0.000 0.000 0.202 234 E C 1.903 178.478 176.600 -0.043 0.000 1.021 234 E CA 1.343 57.714 56.400 -0.048 0.000 0.825 234 E CB 0.150 29.824 29.700 -0.043 0.000 0.756 234 E HN 0.164 nan 8.360 nan 0.000 0.454 235 K N 0.336 120.716 120.400 -0.033 0.000 2.063 235 K HA -0.109 4.211 4.320 0.000 0.000 0.208 235 K C 1.258 177.838 176.600 -0.033 0.000 1.048 235 K CA 0.678 56.950 56.287 -0.024 0.000 0.928 235 K CB -0.291 32.203 32.500 -0.010 0.000 0.713 235 K HN 0.132 nan 8.250 nan 0.000 0.442 239 L N 2.917 124.099 121.223 -0.068 0.000 2.017 239 L HA 0.170 4.510 4.340 0.000 0.000 0.208 239 L C 2.532 179.304 176.870 -0.165 0.000 1.073 239 L CA 2.048 56.845 54.840 -0.071 0.000 0.745 239 L CB -0.694 41.296 42.059 -0.116 0.000 0.894 239 L HN 0.409 nan 8.230 nan 0.000 0.432 240 V N -0.462 119.345 119.914 -0.178 0.000 2.332 240 V HA -0.334 3.786 4.120 0.000 0.000 0.248 240 V C 2.664 178.647 176.094 -0.185 0.000 1.055 240 V CA 1.965 64.152 62.300 -0.188 0.000 1.038 240 V CB -0.623 31.117 31.823 -0.139 0.000 0.651 240 V HN 0.442 nan 8.190 nan 0.000 0.450 241 R N -0.578 119.826 120.500 -0.159 0.000 2.096 241 R HA -0.127 4.213 4.340 0.000 0.000 0.235 241 R C 2.393 178.559 176.300 -0.223 0.000 1.127 241 R CA 1.863 57.867 56.100 -0.160 0.000 0.968 241 R CB -0.600 29.626 30.300 -0.125 0.000 0.861 241 R HN 0.494 nan 8.270 nan 0.000 0.440 242 T N 1.546 115.942 114.554 -0.263 0.000 2.812 242 T HA -0.092 4.258 4.350 0.000 0.000 0.264 242 T C 1.677 176.042 174.700 -0.559 0.000 1.042 242 T CA 0.837 62.696 62.100 -0.401 0.000 1.140 242 T CB -0.170 68.470 68.868 -0.379 0.000 0.870 242 T HN 0.064 nan 8.240 nan 0.000 0.445 243 L N 1.317 122.211 121.223 -0.548 0.000 2.012 243 L HA 0.012 4.352 4.340 0.000 0.000 0.210 243 L C 2.103 178.765 176.870 -0.346 0.000 1.073 243 L CA 1.660 56.202 54.840 -0.496 0.000 0.748 243 L CB -0.842 40.984 42.059 -0.388 0.000 0.891 243 L HN 0.246 nan 8.230 nan 0.000 0.431 244 L N -0.408 120.653 121.223 -0.269 0.000 2.191 244 L HA -0.181 4.159 4.340 0.000 0.000 0.212 244 L C 2.567 179.306 176.870 -0.218 0.000 1.103 244 L CA 1.271 55.991 54.840 -0.200 0.000 0.769 244 L CB -0.763 41.206 42.059 -0.149 0.000 0.908 244 L HN 0.550 nan 8.230 nan 0.000 0.438 245 S N -1.375 114.142 115.700 -0.305 0.000 2.507 245 S HA -0.161 4.309 4.470 0.000 0.000 0.235 245 S C 1.611 175.964 174.600 -0.413 0.000 0.988 245 S CA 0.697 58.681 58.200 -0.360 0.000 0.944 245 S CB -0.419 62.511 63.200 -0.449 0.000 0.762 245 S HN 0.452 nan 8.310 nan 0.000 0.526 246 Y N 1.120 121.225 120.300 -0.324 0.000 2.497 246 Y HA 0.490 5.040 4.550 0.000 0.000 0.265 246 Y C 0.903 176.669 175.900 -0.223 0.000 1.111 246 Y CA -0.354 57.562 58.100 -0.307 0.000 1.288 246 Y CB 0.160 38.253 38.460 -0.611 0.000 1.082 246 Y HN 0.202 nan 8.280 nan 0.000 0.536 247 L N 2.355 123.531 121.223 -0.079 0.000 2.334 247 L HA 0.401 4.741 4.340 0.000 0.000 0.275 247 L C -2.245 174.602 176.870 -0.038 0.000 1.036 247 L CA -2.275 52.541 54.840 -0.040 0.000 0.807 247 L CB 1.240 43.263 42.059 -0.061 0.000 1.231 247 L HN -0.196 nan 8.230 nan 0.000 0.438 248 P HA 0.151 nan 4.420 nan 0.000 0.274 248 P C 0.024 177.311 177.300 -0.020 0.000 1.256 248 P CA -0.421 62.684 63.100 0.009 0.000 0.795 248 P CB 0.982 32.728 31.700 0.077 0.000 1.038 249 S N 0.006 115.711 115.700 0.010 0.000 2.402 249 S HA -0.082 4.388 4.470 0.000 0.000 0.229 249 S C 0.884 175.517 174.600 0.055 0.000 1.021 249 S CA 1.312 59.522 58.200 0.016 0.000 0.974 249 S CB -0.703 62.512 63.200 0.026 0.000 0.800 249 S HN 0.789 nan 8.310 nan 0.000 0.484 250 N N -0.301 118.466 118.700 0.112 0.000 3.179 250 N HA 0.172 4.912 4.740 0.000 0.000 0.250 250 N C -0.517 175.157 175.510 0.273 0.000 1.507 250 N CA -0.574 52.603 53.050 0.211 0.000 0.883 250 N CB 0.060 38.631 38.487 0.139 0.000 1.435 250 N HN -0.075 nan 8.380 nan 0.000 0.532 251 N N -1.158 117.683 118.700 0.235 0.000 2.461 251 N HA 0.100 4.841 4.740 0.000 0.000 0.188 251 N C 0.475 176.009 175.510 0.041 0.000 1.134 251 N CA 0.686 53.790 53.050 0.090 0.000 0.878 251 N CB -0.205 38.195 38.487 -0.145 0.000 0.972 251 N HN 0.661 nan 8.380 nan 0.000 0.456 252 A N -0.582 122.274 122.820 0.060 0.000 2.345 252 A HA 0.218 4.539 4.320 0.000 0.000 0.225 252 A C 0.202 177.812 177.584 0.044 0.000 1.243 252 A CA -0.270 51.790 52.037 0.039 0.000 0.875 252 A CB -0.027 18.995 19.000 0.036 0.000 0.929 252 A HN 0.302 nan 8.150 nan 0.000 0.502 253 E N -0.218 120.019 120.200 0.061 0.000 2.244 253 E HA 0.399 4.749 4.350 0.000 0.000 0.266 253 E C -1.074 175.560 176.600 0.058 0.000 0.914 253 E CA -0.792 55.640 56.400 0.054 0.000 0.794 253 E CB 1.350 31.084 29.700 0.056 0.000 1.210 253 E HN 0.262 nan 8.360 nan 0.000 0.414 254 E N 2.042 122.269 120.200 0.045 0.000 2.366 254 E HA 0.169 4.520 4.350 0.000 0.000 0.266 254 E C -2.367 174.264 176.600 0.053 0.000 1.051 254 E CA -1.619 54.810 56.400 0.047 0.000 0.884 254 E CB 0.578 30.300 29.700 0.037 0.000 1.006 254 E HN 0.097 nan 8.360 nan 0.000 0.417 255 P HA 0.128 nan 4.420 nan 0.000 0.271 255 P C -2.490 174.834 177.300 0.040 0.000 1.233 255 P CA -0.940 62.197 63.100 0.062 0.000 0.789 255 P CB -0.083 31.677 31.700 0.099 0.000 0.951 256 P HA 0.138 nan 4.420 nan 0.000 0.276 256 P C -1.038 176.262 177.300 -0.001 0.000 1.252 256 P CA -0.093 63.004 63.100 -0.005 0.000 0.802 256 P CB 0.564 32.241 31.700 -0.038 0.000 1.035 257 V N 1.356 121.268 119.914 -0.004 0.000 2.370 257 V HA 0.374 4.495 4.120 0.000 0.000 0.283 257 V C 0.252 176.338 176.094 -0.013 0.000 1.023 257 V CA -0.210 62.093 62.300 0.006 0.000 0.857 257 V CB 0.811 32.644 31.823 0.017 0.000 0.985 257 V HN 0.590 nan 8.190 nan 0.000 0.443 258 E N 3.273 123.466 120.200 -0.012 0.000 2.246 258 E HA 0.307 4.657 4.350 0.000 0.000 0.266 258 E C -0.914 175.696 176.600 0.017 0.000 0.880 258 E CA -0.613 55.768 56.400 -0.032 0.000 0.762 258 E CB 1.233 30.871 29.700 -0.104 0.000 1.180 258 E HN 0.736 nan 8.360 nan 0.000 0.416 259 D N 4.163 124.576 120.400 0.023 0.000 2.890 259 D HA -0.117 4.523 4.640 0.000 0.000 0.226 259 D C -2.348 174.065 176.300 0.188 0.000 1.207 259 D CA 0.187 54.229 54.000 0.069 0.000 0.764 259 D CB -0.078 40.726 40.800 0.007 0.000 0.948 259 D HN 0.182 nan 8.370 nan 0.000 0.404 260 P HA 0.124 nan 4.420 nan 0.000 0.271 260 P C -0.229 177.127 177.300 0.094 0.000 1.233 260 P CA -0.098 63.066 63.100 0.105 0.000 0.764 260 P CB 0.673 32.409 31.700 0.060 0.000 0.825 261 D N 2.962 123.339 120.400 -0.037 0.000 2.339 261 D HA 0.039 4.679 4.640 0.000 0.000 0.256 261 D C 1.007 177.262 176.300 -0.076 0.000 1.214 261 D CA 0.153 54.024 54.000 -0.214 0.000 0.877 261 D CB 0.608 41.044 40.800 -0.606 0.000 1.111 261 D HN 0.275 nan 8.370 nan 0.000 0.478 262 T N -0.431 114.107 114.554 -0.027 0.000 3.044 262 T HA 0.044 4.394 4.350 0.000 0.000 0.250 262 T C 1.069 175.764 174.700 -0.008 0.000 1.081 262 T CA -0.258 61.839 62.100 -0.005 0.000 1.040 262 T CB -0.178 68.697 68.868 0.011 0.000 0.962 262 T HN 0.332 nan 8.240 nan 0.000 0.506 263 S N 1.234 116.924 115.700 -0.017 0.000 2.568 263 S HA 0.327 4.798 4.470 0.000 0.000 0.282 263 S C 0.863 175.460 174.600 -0.005 0.000 1.338 263 S CA -0.707 57.487 58.200 -0.009 0.000 1.045 263 S CB 0.505 63.699 63.200 -0.009 0.000 0.873 263 S HN 0.368 nan 8.310 nan 0.000 0.516 264 L N 0.178 121.401 121.223 -0.000 0.000 2.556 264 L HA 0.300 4.640 4.340 0.000 0.000 0.226 264 L C 0.557 177.434 176.870 0.012 0.000 1.089 264 L CA 0.079 54.922 54.840 0.004 0.000 0.864 264 L CB -0.221 41.834 42.059 -0.007 0.000 1.067 264 L HN 0.609 nan 8.230 nan 0.000 0.477 265 E N 0.223 120.429 120.200 0.010 0.000 2.319 265 E HA 0.256 4.606 4.350 0.000 0.000 0.268 265 E C -0.373 176.240 176.600 0.022 0.000 1.050 265 E CA -0.043 56.364 56.400 0.012 0.000 0.878 265 E CB 1.005 30.708 29.700 0.005 0.000 1.066 265 E HN -0.121 nan 8.360 nan 0.000 0.406 266 T N 3.465 118.032 114.554 0.021 0.000 2.797 266 T HA 0.373 4.723 4.350 0.000 0.000 0.279 266 T C -2.305 172.398 174.700 0.005 0.000 0.991 266 T CA -1.625 60.491 62.100 0.026 0.000 0.979 266 T CB 1.027 69.918 68.868 0.038 0.000 0.943 266 T HN 0.332 nan 8.240 nan 0.000 0.444 267 P HA 0.153 nan 4.420 nan 0.000 0.268 267 P C 0.842 178.130 177.300 -0.019 0.000 1.208 267 P CA -0.220 62.879 63.100 -0.001 0.000 0.777 267 P CB 1.052 32.757 31.700 0.008 0.000 0.875 268 E N 1.224 121.409 120.200 -0.024 0.000 2.058 268 E HA -0.203 4.147 4.350 0.000 0.000 0.194 268 E C 1.262 177.836 176.600 -0.043 0.000 0.997 268 E CA 1.230 57.606 56.400 -0.039 0.000 0.801 268 E CB -0.541 29.140 29.700 -0.030 0.000 0.746 268 E HN 0.483 nan 8.360 nan 0.000 0.450 269 D N 0.815 121.199 120.400 -0.026 0.000 4.228 269 D HA -0.257 4.383 4.640 0.000 0.000 0.194 269 D C 1.838 178.122 176.300 -0.028 0.000 1.356 269 D CA 1.232 55.220 54.000 -0.020 0.000 0.871 269 D CB -0.573 40.224 40.800 -0.005 0.000 0.889 269 D HN 0.234 nan 8.370 nan 0.000 0.585 270 I N 0.162 120.713 120.570 -0.032 0.000 2.530 270 I HA -0.234 3.936 4.170 0.000 0.000 0.257 270 I C 1.942 178.011 176.117 -0.080 0.000 1.179 270 I CA 0.746 62.031 61.300 -0.025 0.000 1.440 270 I CB 0.086 38.074 38.000 -0.020 0.000 1.087 270 I HN 0.065 nan 8.210 nan 0.000 0.440 271 L N -0.114 121.040 121.223 -0.116 0.000 2.552 271 L HA -0.072 4.268 4.340 0.000 0.000 0.227 271 L C 0.942 177.768 176.870 -0.073 0.000 1.146 271 L CA 0.479 55.242 54.840 -0.129 0.000 0.858 271 L CB -0.431 41.553 42.059 -0.124 0.000 0.969 271 L HN 0.219 nan 8.230 nan 0.000 0.451 272 D N -0.706 119.663 120.400 -0.052 0.000 2.398 272 D HA 0.134 4.774 4.640 0.000 0.000 0.210 272 D C 1.977 178.251 176.300 -0.044 0.000 1.094 272 D CA 0.293 54.270 54.000 -0.039 0.000 0.839 272 D CB 0.698 41.482 40.800 -0.026 0.000 0.963 272 D HN 0.264 nan 8.370 nan 0.000 0.506 273 I N 0.303 120.835 120.570 -0.062 0.000 2.339 273 I HA -0.053 4.118 4.170 0.000 0.000 0.245 273 I C 0.874 176.847 176.117 -0.241 0.000 1.096 273 I CA 0.438 61.675 61.300 -0.106 0.000 1.408 273 I CB 0.124 38.067 38.000 -0.095 0.000 1.092 273 I HN -0.177 nan 8.210 nan 0.000 0.423 274 L N 3.792 124.826 121.223 -0.314 0.000 2.455 274 L HA 0.160 4.500 4.340 0.000 0.000 0.272 274 L C -1.968 174.829 176.870 -0.122 0.000 1.174 274 L CA -1.607 53.001 54.840 -0.387 0.000 0.869 274 L CB -0.626 41.294 42.059 -0.231 0.000 1.130 274 L HN -0.015 nan 8.230 nan 0.000 0.474 275 P HA 0.062 nan 4.420 nan 0.000 0.272 275 P C -0.227 177.085 177.300 0.021 0.000 1.223 275 P CA -0.382 62.730 63.100 0.018 0.000 0.784 275 P CB 1.096 32.835 31.700 0.065 0.000 0.923 276 D N -0.435 119.977 120.400 0.021 0.000 2.178 276 D HA -0.090 4.550 4.640 0.000 0.000 0.202 276 D C 0.761 177.082 176.300 0.036 0.000 0.974 276 D CA 1.243 55.258 54.000 0.024 0.000 0.841 276 D CB -0.368 40.443 40.800 0.018 0.000 0.953 276 D HN 0.340 nan 8.370 nan 0.000 0.478 277 N N 1.478 120.201 118.700 0.039 0.000 2.420 277 N HA 0.008 4.748 4.740 0.000 0.000 0.262 277 N C -1.744 173.801 175.510 0.058 0.000 1.144 277 N CA -1.340 51.736 53.050 0.045 0.000 0.952 277 N CB 1.631 40.141 38.487 0.039 0.000 1.081 277 N HN -0.065 nan 8.380 nan 0.000 0.480 278 P HA -0.058 nan 4.420 nan 0.000 0.226 278 P C 0.249 177.590 177.300 0.070 0.000 1.153 278 P CA 0.853 63.997 63.100 0.074 0.000 0.777 278 P CB 0.479 32.228 31.700 0.081 0.000 0.794 279 N N -0.403 118.332 118.700 0.058 0.000 2.494 279 N HA -0.035 4.705 4.740 0.000 0.000 0.182 279 N C 0.593 176.126 175.510 0.039 0.000 1.076 279 N CA 0.485 53.562 53.050 0.046 0.000 0.908 279 N CB -0.166 38.345 38.487 0.039 0.000 0.967 279 N HN 0.094 nan 8.380 nan 0.000 0.449 280 K N 0.272 120.704 120.400 0.053 0.000 2.154 280 K HA 0.524 4.844 4.320 0.000 0.000 0.264 280 K C 0.730 177.376 176.600 0.077 0.000 1.008 280 K CA -0.613 55.708 56.287 0.056 0.000 0.937 280 K CB 1.264 33.802 32.500 0.063 0.000 1.002 280 K HN 0.249 nan 8.250 nan 0.000 0.469 281 G N -0.076 108.749 108.800 0.040 0.000 2.537 281 G HA2 0.670 4.630 3.960 0.000 0.000 0.297 281 G HA3 0.670 4.630 3.960 0.000 0.000 0.297 281 G C -0.798 174.164 174.900 0.103 0.000 1.310 281 G CA -0.326 44.764 45.100 -0.017 0.000 1.027 281 G HN 0.764 nan 8.290 nan 0.000 0.505 282 Y N -2.894 117.384 120.300 -0.037 0.000 2.764 282 Y HA 0.608 5.158 4.550 0.000 0.000 0.331 282 Y C -1.539 174.329 175.900 -0.054 0.000 1.280 282 Y CA -1.611 56.467 58.100 -0.036 0.000 1.065 282 Y CB 1.178 39.621 38.460 -0.029 0.000 1.319 282 Y HN 0.414 nan 8.280 nan 0.000 0.453 283 D N 0.875 121.335 120.400 0.100 0.000 2.373 283 D HA 0.180 4.820 4.640 0.000 0.000 0.227 283 D C 0.549 176.891 176.300 0.070 0.000 1.091 283 D CA -0.130 53.863 54.000 -0.011 0.000 0.840 283 D CB 2.099 42.901 40.800 0.004 0.000 1.060 283 D HN 0.623 nan 8.370 nan 0.000 0.502 284 V N 5.596 125.462 119.914 -0.080 0.000 2.594 284 V HA -0.203 3.917 4.120 0.000 0.000 0.253 284 V C 2.119 178.100 176.094 -0.187 0.000 1.069 284 V CA 1.721 63.987 62.300 -0.057 0.000 1.082 284 V CB -0.233 31.487 31.823 -0.171 0.000 0.680 284 V HN 0.530 nan 8.190 nan 0.000 0.469 285 R N -0.166 120.223 120.500 -0.186 0.000 2.200 285 R HA -0.145 4.195 4.340 0.000 0.000 0.234 285 R C 1.876 178.084 176.300 -0.153 0.000 1.127 285 R CA 1.579 57.537 56.100 -0.236 0.000 0.989 285 R CB -0.363 29.869 30.300 -0.114 0.000 0.869 285 R HN 0.553 nan 8.270 nan 0.000 0.459 286 D N -0.124 120.234 120.400 -0.071 0.000 2.178 286 D HA -0.096 4.544 4.640 0.000 0.000 0.202 286 D C 1.836 178.099 176.300 -0.061 0.000 0.974 286 D CA 0.964 54.944 54.000 -0.034 0.000 0.841 286 D CB 0.094 40.904 40.800 0.017 0.000 0.953 286 D HN 0.040 nan 8.370 nan 0.000 0.478 287 V N 1.024 120.868 119.914 -0.116 0.000 2.346 287 V HA -0.151 3.969 4.120 0.000 0.000 0.244 287 V C 2.544 178.466 176.094 -0.286 0.000 1.037 287 V CA 0.794 63.001 62.300 -0.155 0.000 1.029 287 V CB -0.271 31.409 31.823 -0.238 0.000 0.663 287 V HN 0.130 nan 8.190 nan 0.000 0.454 288 I N 0.038 120.307 120.570 -0.503 0.000 2.151 288 I HA -0.323 3.847 4.170 0.000 0.000 0.243 288 I C 2.450 178.438 176.117 -0.214 0.000 1.080 288 I CA 1.869 62.847 61.300 -0.537 0.000 1.339 288 I CB -0.430 37.135 38.000 -0.724 0.000 1.039 288 I HN 0.259 nan 8.210 nan 0.000 0.409 289 K N 0.250 120.561 120.400 -0.149 0.000 2.365 289 K HA -0.062 4.258 4.320 0.000 0.000 0.199 289 K C 1.922 178.533 176.600 0.019 0.000 1.045 289 K CA 0.693 56.971 56.287 -0.015 0.000 0.962 289 K CB -0.034 32.478 32.500 0.019 0.000 0.759 289 K HN 0.297 nan 8.250 nan 0.000 0.469 290 R N -0.193 120.307 120.500 0.001 0.000 2.317 290 R HA 0.066 4.406 4.340 0.000 0.000 0.208 290 R C 1.409 177.747 176.300 0.064 0.000 0.914 290 R CA 0.124 56.245 56.100 0.035 0.000 1.060 290 R CB 0.526 30.847 30.300 0.036 0.000 1.015 290 R HN -0.033 nan 8.270 nan 0.000 0.498 291 V N 0.194 120.152 119.914 0.073 0.000 3.307 291 V HA 0.044 4.165 4.120 0.000 0.000 0.244 291 V C 0.710 176.879 176.094 0.124 0.000 1.196 291 V CA 0.262 62.640 62.300 0.130 0.000 1.132 291 V CB 1.156 33.111 31.823 0.219 0.000 0.875 291 V HN 0.035 nan 8.190 nan 0.000 0.468 292 V N -1.520 118.463 119.914 0.114 0.000 2.997 292 V HA 0.501 4.622 4.120 0.000 0.000 0.311 292 V C -0.197 175.954 176.094 0.095 0.000 1.066 292 V CA -1.054 61.328 62.300 0.137 0.000 1.039 292 V CB 0.770 32.706 31.823 0.189 0.000 1.081 292 V HN 0.216 nan 8.190 nan 0.000 0.467 293 D N 1.997 122.444 120.400 0.078 0.000 2.531 293 D HA 0.085 4.725 4.640 0.000 0.000 0.239 293 D C 0.887 177.196 176.300 0.015 0.000 1.144 293 D CA 1.226 55.186 54.000 -0.067 0.000 0.869 293 D CB -0.361 40.429 40.800 -0.016 0.000 1.160 293 D HN 0.902 nan 8.370 nan 0.000 0.484 294 H N 1.322 120.448 119.070 0.095 0.000 2.884 294 H HA -0.226 4.330 4.556 0.001 0.000 0.289 294 H C 1.365 176.751 175.328 0.096 0.000 1.142 294 H CA 0.898 56.997 56.048 0.084 0.000 1.158 294 H CB -1.625 28.184 29.762 0.078 0.000 1.325 294 H HN 0.803 nan 8.280 nan 0.000 0.366 295 G N 0.341 109.242 108.800 0.167 0.000 2.212 295 G HA2 -0.353 3.607 3.960 0.000 0.000 0.267 295 G HA3 -0.353 3.607 3.960 0.000 0.000 0.267 295 G C 0.085 175.106 174.900 0.201 0.000 1.002 295 G CA 0.910 46.102 45.100 0.153 0.000 0.729 295 G HN 0.663 nan 8.290 nan 0.000 0.517 296 E N -0.649 119.705 120.200 0.258 0.000 2.194 296 E HA 0.539 4.889 4.350 0.000 0.000 0.284 296 E C -0.824 176.018 176.600 0.403 0.000 1.035 296 E CA -0.662 55.917 56.400 0.299 0.000 0.836 296 E CB 0.951 30.828 29.700 0.295 0.000 1.070 296 E HN 0.208 nan 8.360 nan 0.000 0.401 297 F N 4.219 124.284 119.950 0.193 0.000 2.507 297 F HA 0.349 4.876 4.527 0.000 0.000 0.328 297 F C -1.662 174.273 175.800 0.224 0.000 1.136 297 F CA -1.565 56.543 58.000 0.181 0.000 0.930 297 F CB 0.770 39.824 39.000 0.089 0.000 1.166 297 F HN 0.337 nan 8.300 nan 0.000 0.436 298 F N 6.454 126.159 119.950 -0.409 0.000 2.303 298 F HA 0.354 4.881 4.527 -0.000 0.000 0.368 298 F C 0.139 175.513 175.800 -0.709 0.000 1.105 298 F CA -0.354 57.419 58.000 -0.378 0.000 1.153 298 F CB 0.245 39.172 39.000 -0.121 0.000 1.362 298 F HN 0.581 nan 8.300 nan 0.000 0.511 299 E N 4.094 123.693 120.200 -1.002 0.000 2.331 299 E HA 0.452 4.802 4.350 0.000 0.000 0.272 299 E C -1.267 174.961 176.600 -0.620 0.000 1.036 299 E CA -0.515 55.351 56.400 -0.890 0.000 0.864 299 E CB 1.223 30.569 29.700 -0.590 0.000 1.035 299 E HN 0.418 nan 8.360 nan 0.000 0.408 300 V N 4.606 124.176 119.914 -0.573 0.000 2.581 300 V HA 0.108 4.228 4.120 0.000 0.000 0.303 300 V C -0.134 175.673 176.094 -0.479 0.000 1.041 300 V CA -0.541 61.386 62.300 -0.622 0.000 0.907 300 V CB 1.512 32.982 31.823 -0.588 0.000 0.994 300 V HN 0.929 nan 8.190 nan 0.000 0.442 301 Q N 3.002 122.527 119.800 -0.458 0.000 2.423 301 Q HA -0.181 4.159 4.340 0.000 0.000 0.332 301 Q C -1.559 174.324 176.000 -0.195 0.000 1.355 301 Q CA 0.568 56.225 55.803 -0.242 0.000 0.947 301 Q CB -0.620 28.050 28.738 -0.113 0.000 1.189 301 Q HN 0.711 nan 8.270 nan 0.000 0.418 302 P HA -0.181 nan 4.420 nan 0.000 0.222 302 P C 0.263 177.328 177.300 -0.391 0.000 1.147 302 P CA 1.501 64.345 63.100 -0.427 0.000 0.790 302 P CB 0.074 31.375 31.700 -0.666 0.000 0.780 303 Y N -2.525 117.754 120.300 -0.035 0.000 2.449 303 Y HA 0.295 4.845 4.550 -0.000 0.000 0.254 303 Y C 0.939 176.872 175.900 0.054 0.000 1.140 303 Y CA -0.555 57.542 58.100 -0.005 0.000 1.272 303 Y CB -0.157 38.301 38.460 -0.003 0.000 1.114 303 Y HN -0.177 nan 8.280 nan 0.000 0.525 304 F N 1.044 120.997 119.950 0.006 0.000 2.436 304 F HA 0.653 5.180 4.527 0.000 0.000 0.340 304 F C 0.545 176.311 175.800 -0.057 0.000 1.113 304 F CA -1.587 56.395 58.000 -0.030 0.000 1.022 304 F CB 1.032 39.993 39.000 -0.064 0.000 1.128 304 F HN -0.033 nan 8.300 nan 0.000 0.466 305 A N 4.649 127.032 122.820 -0.728 0.000 2.416 305 A HA -0.284 4.036 4.320 0.000 0.000 0.293 305 A C 1.121 178.525 177.584 -0.300 0.000 1.452 305 A CA 1.164 52.825 52.037 -0.628 0.000 0.738 305 A CB -2.137 16.374 19.000 -0.814 0.000 1.123 305 A HN 0.943 nan 8.150 nan 0.000 0.389 306 K N 0.497 120.771 120.400 -0.209 0.000 2.515 306 K HA -0.135 4.185 4.320 0.000 0.000 0.196 306 K C 1.707 178.221 176.600 -0.144 0.000 1.038 306 K CA 0.975 57.174 56.287 -0.147 0.000 0.967 306 K CB -0.147 32.288 32.500 -0.109 0.000 0.780 306 K HN 0.953 nan 8.250 nan 0.000 0.483 307 N N 0.857 119.462 118.700 -0.157 0.000 2.550 307 N HA -0.109 4.631 4.740 0.000 0.000 0.186 307 N C 0.369 175.798 175.510 -0.136 0.000 1.110 307 N CA 0.656 53.618 53.050 -0.146 0.000 0.912 307 N CB 0.129 38.530 38.487 -0.143 0.000 0.968 307 N HN 0.199 nan 8.380 nan 0.000 0.448 308 I N 0.160 120.654 120.570 -0.126 0.000 2.686 308 I HA 0.328 4.498 4.170 0.000 0.000 0.295 308 I C -1.404 174.663 176.117 -0.083 0.000 1.114 308 I CA -0.944 60.301 61.300 -0.091 0.000 1.038 308 I CB 2.622 40.584 38.000 -0.063 0.000 1.238 308 I HN -0.308 nan 8.210 nan 0.000 0.420 309 V N 7.483 127.364 119.914 -0.056 0.000 2.495 309 V HA 0.557 4.677 4.120 0.000 0.000 0.298 309 V C -0.288 175.810 176.094 0.007 0.000 1.031 309 V CA -0.466 61.817 62.300 -0.028 0.000 0.871 309 V CB 1.635 33.444 31.823 -0.023 0.000 0.988 309 V HN 0.570 nan 8.190 nan 0.000 0.432 310 I N 1.874 122.405 120.570 -0.065 0.000 2.934 310 I HA 1.106 5.276 4.170 0.000 0.000 0.306 310 I C 0.107 176.030 176.117 -0.323 0.000 1.110 310 I CA -0.486 60.672 61.300 -0.236 0.000 1.019 310 I CB 2.465 40.060 38.000 -0.675 0.000 1.227 310 I HN 0.778 nan 8.210 nan 0.000 0.434 311 G N 2.521 111.106 108.800 -0.360 0.000 2.336 311 G HA2 0.382 4.342 3.960 0.000 0.000 0.286 311 G HA3 0.382 4.342 3.960 0.000 0.000 0.286 311 G C -2.091 172.728 174.900 -0.135 0.000 1.269 311 G CA -0.842 43.984 45.100 -0.456 0.000 0.873 311 G HN 0.528 nan 8.290 nan 0.000 0.494 312 F N 0.777 120.730 119.950 0.006 0.000 2.492 312 F HA 0.886 5.413 4.527 0.000 0.000 0.327 312 F C 0.814 176.585 175.800 -0.048 0.000 1.079 312 F CA 0.385 58.311 58.000 -0.124 0.000 0.967 312 F CB 2.248 40.752 39.000 -0.826 0.000 1.169 312 F HN 0.930 nan 8.300 nan 0.000 0.472 313 A N 2.508 125.533 122.820 0.341 0.000 2.534 313 A HA 0.920 5.240 4.320 0.000 0.000 0.300 313 A C -1.274 176.599 177.584 0.481 0.000 1.223 313 A CA -1.006 51.305 52.037 0.456 0.000 0.666 313 A CB 1.808 21.081 19.000 0.456 0.000 1.316 313 A HN 0.697 nan 8.150 nan 0.000 0.468 314 R N -0.309 120.427 120.500 0.394 0.000 2.673 314 R HA 0.626 4.966 4.340 0.000 0.000 0.281 314 R C -1.688 174.739 176.300 0.212 0.000 0.991 314 R CA -0.743 55.538 56.100 0.302 0.000 0.896 314 R CB 1.884 32.346 30.300 0.271 0.000 1.201 314 R HN 0.507 nan 8.270 nan 0.000 0.457 315 I N 2.608 123.279 120.570 0.169 0.000 2.410 315 I HA 0.158 4.329 4.170 0.000 0.000 0.286 315 I C 0.348 176.519 176.117 0.089 0.000 1.009 315 I CA -0.216 61.156 61.300 0.120 0.000 1.111 315 I CB 1.323 39.395 38.000 0.120 0.000 1.262 315 I HN 0.825 nan 8.210 nan 0.000 0.443 316 Q N 4.477 124.312 119.800 0.058 0.000 2.463 316 Q HA -0.244 4.096 4.340 0.000 0.000 0.299 316 Q C 1.075 177.111 176.000 0.060 0.000 1.353 316 Q CA 0.936 56.765 55.803 0.044 0.000 0.828 316 Q CB -0.872 27.891 28.738 0.041 0.000 1.157 316 Q HN 1.234 nan 8.270 nan 0.000 0.436 317 G N -0.734 108.113 108.800 0.078 0.000 2.212 317 G HA2 -0.350 3.610 3.960 0.000 0.000 0.266 317 G HA3 -0.350 3.610 3.960 0.000 0.000 0.266 317 G C -0.014 174.939 174.900 0.089 0.000 0.978 317 G CA 0.655 45.806 45.100 0.085 0.000 0.632 317 G HN 0.366 nan 8.290 nan 0.000 0.537 318 K N 1.211 121.674 120.400 0.106 0.000 2.159 318 K HA 0.500 4.820 4.320 0.000 0.000 0.266 318 K C 0.144 176.852 176.600 0.180 0.000 0.975 318 K CA -0.389 55.969 56.287 0.118 0.000 0.865 318 K CB 1.182 33.741 32.500 0.098 0.000 1.087 318 K HN 0.091 nan 8.250 nan 0.000 0.446 319 T N 2.018 116.699 114.554 0.211 0.000 2.928 319 T HA 0.158 4.508 4.350 0.000 0.000 0.305 319 T C 0.128 174.997 174.700 0.283 0.000 1.035 319 T CA -0.497 61.797 62.100 0.323 0.000 1.145 319 T CB 0.254 69.333 68.868 0.352 0.000 0.963 319 T HN 0.422 nan 8.240 nan 0.000 0.545 320 V N 0.562 120.670 119.914 0.323 0.000 2.914 320 V HA 0.994 5.115 4.120 0.000 0.000 0.314 320 V C 0.202 176.486 176.094 0.316 0.000 1.084 320 V CA -1.173 61.288 62.300 0.269 0.000 0.963 320 V CB 1.936 33.891 31.823 0.220 0.000 1.025 320 V HN 0.916 nan 8.190 nan 0.000 0.432 321 G N 2.722 111.653 108.800 0.219 0.000 2.371 321 G HA2 0.678 4.638 3.960 0.000 0.000 0.326 321 G HA3 0.678 4.638 3.960 0.000 0.000 0.326 321 G C -0.764 174.301 174.900 0.275 0.000 1.127 321 G CA -0.716 44.492 45.100 0.180 0.000 0.885 321 G HN 0.653 nan 8.290 nan 0.000 0.477 322 I N 1.585 122.393 120.570 0.396 0.000 2.404 322 I HA 0.375 4.545 4.170 0.000 0.000 0.293 322 I C -0.481 175.834 176.117 0.330 0.000 0.992 322 I CA -0.809 60.699 61.300 0.346 0.000 1.149 322 I CB 1.603 39.802 38.000 0.331 0.000 1.315 322 I HN 0.040 nan 8.210 nan 0.000 0.446 323 V N 4.890 124.964 119.914 0.265 0.000 2.483 323 V HA 0.816 4.936 4.120 0.000 0.000 0.297 323 V C -0.101 176.106 176.094 0.188 0.000 1.027 323 V CA -0.518 61.911 62.300 0.217 0.000 0.855 323 V CB 1.753 33.719 31.823 0.239 0.000 0.995 323 V HN 0.908 nan 8.190 nan 0.000 0.424 324 A N 3.958 126.849 122.820 0.117 0.000 2.437 324 A HA 0.653 4.973 4.320 0.000 0.000 0.293 324 A C -0.519 177.062 177.584 -0.006 0.000 1.038 324 A CA -0.772 51.317 52.037 0.087 0.000 0.708 324 A CB 0.854 19.880 19.000 0.043 0.000 1.251 324 A HN 0.851 nan 8.150 nan 0.000 0.409 325 N N 1.136 119.821 118.700 -0.026 0.000 2.441 325 N HA 0.312 5.052 4.740 0.000 0.000 0.251 325 N C -0.120 175.301 175.510 -0.149 0.000 1.242 325 N CA 0.332 53.326 53.050 -0.092 0.000 0.898 325 N CB 0.439 38.861 38.487 -0.109 0.000 1.100 325 N HN 0.631 nan 8.380 nan 0.000 0.443 326 Q N 2.513 122.205 119.800 -0.179 0.000 2.508 326 Q HA 0.340 4.680 4.340 0.000 0.000 0.247 326 Q C -2.335 173.499 176.000 -0.277 0.000 1.047 326 Q CA -2.117 53.547 55.803 -0.232 0.000 0.783 326 Q CB 1.447 30.079 28.738 -0.177 0.000 1.172 326 Q HN 0.340 nan 8.270 nan 0.000 0.515 327 P HA -0.112 nan 4.420 nan 0.000 0.222 327 P C 0.505 177.632 177.300 -0.288 0.000 1.147 327 P CA 1.082 63.954 63.100 -0.380 0.000 0.790 327 P CB 0.334 31.681 31.700 -0.587 0.000 0.780 328 S N -2.307 113.219 115.700 -0.291 0.000 2.562 328 S HA 0.074 4.544 4.470 0.000 0.000 0.221 328 S C 0.685 175.206 174.600 -0.131 0.000 0.975 328 S CA 0.033 58.128 58.200 -0.176 0.000 0.918 328 S CB -0.617 62.493 63.200 -0.150 0.000 0.772 328 S HN -0.113 nan 8.310 nan 0.000 0.531 329 V N 2.269 122.097 119.914 -0.144 0.000 2.444 329 V HA 0.391 4.511 4.120 0.000 0.000 0.294 329 V C 0.216 176.241 176.094 -0.115 0.000 1.022 329 V CA -1.016 61.214 62.300 -0.116 0.000 0.850 329 V CB 1.022 32.775 31.823 -0.117 0.000 0.992 329 V HN 0.476 nan 8.190 nan 0.000 0.426 330 L N 4.202 125.369 121.223 -0.093 0.000 3.829 330 L HA -0.334 4.007 4.340 0.000 0.000 0.440 330 L C 1.350 178.166 176.870 -0.090 0.000 1.192 330 L CA 0.612 55.402 54.840 -0.083 0.000 0.848 330 L CB -1.362 40.645 42.059 -0.087 0.000 1.744 330 L HN 1.237 nan 8.230 nan 0.000 0.920 331 A N -1.482 121.281 122.820 -0.096 0.000 2.829 331 A HA -0.077 4.243 4.320 0.000 0.000 0.267 331 A C 1.720 179.225 177.584 -0.132 0.000 1.370 331 A CA 1.481 53.457 52.037 -0.102 0.000 0.900 331 A CB -1.896 17.064 19.000 -0.067 0.000 1.044 331 A HN 2.240 nan 8.150 nan 0.000 0.691 332 G N -2.414 106.296 108.800 -0.150 0.000 2.225 332 G HA2 0.012 3.972 3.960 0.000 0.000 0.267 332 G HA3 0.012 3.972 3.960 0.000 0.000 0.267 332 G C 1.096 175.903 174.900 -0.155 0.000 1.024 332 G CA 1.071 46.072 45.100 -0.164 0.000 0.784 332 G HN 2.440 nan 8.290 nan 0.000 0.507 333 V N -2.363 117.469 119.914 -0.137 0.000 3.237 333 V HA 0.645 4.766 4.120 0.000 0.000 0.305 333 V C 1.225 177.208 176.094 -0.184 0.000 1.096 333 V CA -0.723 61.487 62.300 -0.150 0.000 1.130 333 V CB 1.045 32.812 31.823 -0.093 0.000 1.048 333 V HN 0.330 nan 8.190 nan 0.000 0.484 334 L N 2.832 123.879 121.223 -0.294 0.000 2.379 334 L HA 0.664 5.004 4.340 0.000 0.000 0.269 334 L C -0.121 176.694 176.870 -0.092 0.000 1.084 334 L CA -0.293 54.375 54.840 -0.287 0.000 0.802 334 L CB 1.471 43.165 42.059 -0.609 0.000 1.175 334 L HN 1.128 nan 8.230 nan 0.000 0.448 335 D N 0.441 120.858 120.400 0.028 0.000 2.779 335 D HA 0.184 4.824 4.640 0.000 0.000 0.331 335 D C 0.694 177.044 176.300 0.085 0.000 1.331 335 D CA -0.685 53.372 54.000 0.094 0.000 0.866 335 D CB 0.564 41.363 40.800 -0.001 0.000 1.409 335 D HN 0.308 nan 8.370 nan 0.000 0.486 336 I N 0.290 120.876 120.570 0.027 0.000 2.087 336 I HA -0.314 3.857 4.170 0.000 0.000 0.240 336 I C 1.533 177.648 176.117 -0.003 0.000 1.054 336 I CA 1.994 63.269 61.300 -0.041 0.000 1.311 336 I CB -0.272 37.594 38.000 -0.224 0.000 1.024 336 I HN 0.369 nan 8.210 nan 0.000 0.402 337 D N 0.287 120.654 120.400 -0.055 0.000 2.117 337 D HA -0.132 4.508 4.640 0.000 0.000 0.198 337 D C 2.391 178.650 176.300 -0.068 0.000 0.982 337 D CA 1.855 55.813 54.000 -0.069 0.000 0.828 337 D CB -0.320 40.231 40.800 -0.415 0.000 0.967 337 D HN 0.401 nan 8.370 nan 0.000 0.464 338 S N -0.048 115.583 115.700 -0.114 0.000 2.402 338 S HA -0.074 4.396 4.470 0.000 0.000 0.229 338 S C 2.134 176.764 174.600 0.049 0.000 1.021 338 S CA 0.996 59.160 58.200 -0.061 0.000 0.974 338 S CB -0.223 62.921 63.200 -0.094 0.000 0.800 338 S HN -0.003 nan 8.310 nan 0.000 0.484 339 S N 2.105 117.860 115.700 0.092 0.000 2.368 339 S HA -0.083 4.387 4.470 0.000 0.000 0.225 339 S C 1.561 176.258 174.600 0.162 0.000 1.030 339 S CA 1.370 59.660 58.200 0.150 0.000 0.999 339 S CB -0.568 62.757 63.200 0.209 0.000 0.844 339 S HN 0.539 nan 8.310 nan 0.000 0.459 340 D N 1.092 121.604 120.400 0.188 0.000 2.097 340 D HA -0.071 4.569 4.640 0.000 0.000 0.197 340 D C 1.936 178.351 176.300 0.191 0.000 0.984 340 D CA 0.994 55.116 54.000 0.203 0.000 0.826 340 D CB -0.269 40.686 40.800 0.259 0.000 0.973 340 D HN 0.345 nan 8.370 nan 0.000 0.460 341 K N 0.625 121.159 120.400 0.224 0.000 1.991 341 K HA -0.159 4.161 4.320 0.000 0.000 0.212 341 K C 1.998 178.696 176.600 0.163 0.000 1.049 341 K CA 1.658 58.070 56.287 0.209 0.000 0.932 341 K CB -0.130 32.496 32.500 0.211 0.000 0.717 341 K HN 0.037 nan 8.250 nan 0.000 0.441 342 A N 0.911 123.812 122.820 0.135 0.000 1.873 342 A HA -0.041 4.279 4.320 0.000 0.000 0.215 342 A C 2.370 180.039 177.584 0.142 0.000 1.186 342 A CA 1.799 53.924 52.037 0.147 0.000 0.616 342 A CB -0.930 18.139 19.000 0.115 0.000 0.823 342 A HN 0.530 nan 8.150 nan 0.000 0.442 343 A N -0.101 122.788 122.820 0.114 0.000 1.892 343 A HA -0.233 4.087 4.320 0.000 0.000 0.218 343 A C 2.247 179.887 177.584 0.094 0.000 1.188 343 A CA 2.152 54.237 52.037 0.080 0.000 0.631 343 A CB -0.493 18.565 19.000 0.097 0.000 0.822 343 A HN 0.554 nan 8.150 nan 0.000 0.447 344 R N -2.026 118.554 120.500 0.135 0.000 2.092 344 R HA -0.086 4.255 4.340 0.000 0.000 0.231 344 R C 1.887 178.312 176.300 0.208 0.000 1.119 344 R CA 1.483 57.667 56.100 0.140 0.000 0.970 344 R CB -0.488 29.889 30.300 0.128 0.000 0.864 344 R HN 0.438 nan 8.270 nan 0.000 0.440 345 F N 1.045 121.044 119.950 0.082 0.000 2.095 345 F HA -0.173 4.354 4.527 0.000 0.000 0.298 345 F C 1.778 177.661 175.800 0.137 0.000 1.104 345 F CA 1.570 59.641 58.000 0.118 0.000 1.232 345 F CB -0.350 38.692 39.000 0.070 0.000 0.987 345 F HN -0.005 nan 8.300 nan 0.000 0.475 346 I N -0.027 120.564 120.570 0.036 0.000 2.226 346 I HA -0.311 3.859 4.170 0.000 0.000 0.245 346 I C 2.552 178.616 176.117 -0.089 0.000 1.100 346 I CA 1.163 62.379 61.300 -0.140 0.000 1.374 346 I CB -0.428 37.400 38.000 -0.287 0.000 1.057 346 I HN 0.042 nan 8.210 nan 0.000 0.413 347 R N -0.014 120.483 120.500 -0.004 0.000 2.105 347 R HA -0.206 4.134 4.340 0.000 0.000 0.239 347 R C 2.339 178.648 176.300 0.014 0.000 1.135 347 R CA 1.665 57.773 56.100 0.013 0.000 0.967 347 R CB -0.893 29.437 30.300 0.050 0.000 0.861 347 R HN 0.322 nan 8.270 nan 0.000 0.442 348 F N 1.949 121.875 119.950 -0.039 0.000 2.075 348 F HA -0.171 4.356 4.527 0.000 0.000 0.297 348 F C 2.133 177.994 175.800 0.102 0.000 1.113 348 F CA 1.397 59.428 58.000 0.052 0.000 1.218 348 F CB -0.378 38.648 39.000 0.043 0.000 0.984 348 F HN -0.139 nan 8.300 nan 0.000 0.472 349 L N 0.133 121.326 121.223 -0.051 0.000 1.989 349 L HA -0.264 4.076 4.340 0.000 0.000 0.211 349 L C 2.275 179.067 176.870 -0.131 0.000 1.071 349 L CA 1.948 56.728 54.840 -0.100 0.000 0.749 349 L CB -1.078 40.881 42.059 -0.166 0.000 0.890 349 L HN 0.191 nan 8.230 nan 0.000 0.431 350 D N 0.063 120.383 120.400 -0.134 0.000 2.106 350 D HA -0.224 4.417 4.640 0.000 0.000 0.191 350 D C 2.155 178.332 176.300 -0.205 0.000 0.997 350 D CA 1.605 55.527 54.000 -0.130 0.000 0.834 350 D CB 0.018 40.758 40.800 -0.100 0.000 0.956 350 D HN 0.268 nan 8.370 nan 0.000 0.448 351 A N -0.757 121.873 122.820 -0.316 0.000 1.948 351 A HA -0.144 4.176 4.320 0.000 0.000 0.220 351 A C 1.533 178.661 177.584 -0.761 0.000 1.177 351 A CA 1.245 52.947 52.037 -0.559 0.000 0.636 351 A CB -0.776 17.777 19.000 -0.745 0.000 0.815 351 A HN 0.378 nan 8.150 nan 0.000 0.449 352 F N -0.352 119.411 119.950 -0.312 0.000 2.684 352 F HA 0.254 4.781 4.527 0.001 0.000 0.298 352 F C 0.491 176.208 175.800 -0.139 0.000 1.120 352 F CA -0.488 57.355 58.000 -0.262 0.000 1.332 352 F CB -0.092 38.642 39.000 -0.444 0.000 0.986 352 F HN 0.255 nan 8.300 nan 0.000 0.524 353 N N 0.685 119.370 118.700 -0.025 0.000 2.776 353 N HA -0.223 4.517 4.740 0.000 0.000 0.249 353 N C -0.456 175.080 175.510 0.042 0.000 1.111 353 N CA 0.578 53.630 53.050 0.003 0.000 0.711 353 N CB -1.783 36.717 38.487 0.021 0.000 1.065 353 N HN 0.331 nan 8.380 nan 0.000 0.556 354 I N 1.211 121.812 120.570 0.053 0.000 2.339 354 I HA 0.282 4.452 4.170 0.000 0.000 0.290 354 I C -1.990 174.167 176.117 0.067 0.000 0.994 354 I CA -1.967 59.394 61.300 0.101 0.000 1.191 354 I CB 1.507 39.619 38.000 0.185 0.000 1.343 354 I HN -0.263 nan 8.210 nan 0.000 0.458 355 P HA 0.075 nan 4.420 nan 0.000 0.266 355 P C -0.750 176.592 177.300 0.069 0.000 1.193 355 P CA 0.306 63.444 63.100 0.064 0.000 0.770 355 P CB 0.386 32.131 31.700 0.075 0.000 0.836 356 I N 2.708 123.311 120.570 0.055 0.000 2.339 356 I HA 0.280 4.450 4.170 0.000 0.000 0.290 356 I C -0.164 175.994 176.117 0.068 0.000 0.994 356 I CA -0.826 60.514 61.300 0.067 0.000 1.191 356 I CB 1.213 39.253 38.000 0.066 0.000 1.343 356 I HN 0.121 nan 8.210 nan 0.000 0.458 357 L N 6.902 128.167 121.223 0.070 0.000 2.298 357 L HA 0.558 4.899 4.340 0.000 0.000 0.284 357 L C -0.387 176.427 176.870 -0.093 0.000 1.013 357 L CA 0.300 55.118 54.840 -0.036 0.000 0.824 357 L CB 1.400 43.465 42.059 0.010 0.000 1.221 357 L HN 0.496 nan 8.230 nan 0.000 0.418 358 T N 5.614 120.035 114.554 -0.222 0.000 2.797 358 T HA 0.574 4.925 4.350 0.000 0.000 0.279 358 T C -0.820 173.612 174.700 -0.448 0.000 0.991 358 T CA 0.068 62.069 62.100 -0.164 0.000 0.979 358 T CB 0.545 69.401 68.868 -0.020 0.000 0.943 358 T HN 0.255 nan 8.240 nan 0.000 0.444 359 F N 1.957 121.872 119.950 -0.059 0.000 2.449 359 F HA 0.540 5.068 4.527 0.000 0.000 0.342 359 F C -0.122 175.601 175.800 -0.128 0.000 1.127 359 F CA -0.996 56.927 58.000 -0.128 0.000 0.975 359 F CB 1.483 40.395 39.000 -0.147 0.000 1.146 359 F HN 0.185 nan 8.300 nan 0.000 0.444 360 V N 2.618 122.525 119.914 -0.012 0.000 2.398 360 V HA 0.476 4.596 4.120 0.000 0.000 0.286 360 V C -0.831 175.224 176.094 -0.064 0.000 1.026 360 V CA -0.482 61.789 62.300 -0.049 0.000 0.868 360 V CB 1.622 33.406 31.823 -0.064 0.000 0.982 360 V HN 0.692 nan 8.190 nan 0.000 0.443 361 D N 2.608 122.961 120.400 -0.078 0.000 3.036 361 D HA 0.163 4.803 4.640 0.000 0.000 0.244 361 D C -0.757 175.452 176.300 -0.152 0.000 1.337 361 D CA -0.002 53.939 54.000 -0.099 0.000 0.829 361 D CB 1.221 41.997 40.800 -0.039 0.000 1.478 361 D HN 0.596 nan 8.370 nan 0.000 0.570 362 T N 1.160 115.603 114.554 -0.185 0.000 2.879 362 T HA 0.526 4.876 4.350 0.000 0.000 0.290 362 T C -2.343 172.187 174.700 -0.283 0.000 0.993 362 T CA -1.753 60.225 62.100 -0.203 0.000 0.975 362 T CB 1.924 70.688 68.868 -0.174 0.000 0.981 362 T HN -0.083 nan 8.240 nan 0.000 0.439 363 P HA 0.353 nan 4.420 nan 0.000 0.255 363 P C 0.742 178.064 177.300 0.037 0.000 1.248 363 P CA 0.451 63.417 63.100 -0.223 0.000 0.807 363 P CB -0.018 31.631 31.700 -0.085 0.000 1.150 364 G N -0.677 108.099 108.800 -0.041 0.000 2.270 364 G HA2 -0.042 3.918 3.960 0.000 0.000 0.268 364 G HA3 -0.042 3.918 3.960 0.000 0.000 0.268 364 G C -1.763 173.052 174.900 -0.140 0.000 1.312 364 G CA -0.953 44.148 45.100 0.001 0.000 1.050 364 G HN -0.042 nan 8.290 nan 0.000 0.474 365 Y N -0.378 119.946 120.300 0.040 0.000 2.320 365 Y HA 0.584 5.134 4.550 0.000 0.000 0.324 365 Y C 0.935 176.840 175.900 0.009 0.000 1.190 365 Y CA -0.454 57.659 58.100 0.022 0.000 1.215 365 Y CB 1.531 40.008 38.460 0.028 0.000 1.221 365 Y HN 0.567 nan 8.280 nan 0.000 0.486 366 L N 6.468 127.768 121.223 0.129 0.000 2.562 366 L HA 0.213 4.553 4.340 0.000 0.000 0.271 366 L C -2.449 174.462 176.870 0.068 0.000 1.167 366 L CA -1.494 53.384 54.840 0.063 0.000 0.917 366 L CB -0.389 41.685 42.059 0.024 0.000 1.187 366 L HN 0.387 nan 8.230 nan 0.000 0.482 367 P HA 0.569 nan 4.420 nan 0.000 0.275 367 P C -0.534 176.766 177.300 -0.001 0.000 1.227 367 P CA -0.281 62.834 63.100 0.026 0.000 0.781 367 P CB 1.133 32.845 31.700 0.021 0.000 0.906 368 G N 0.240 109.029 108.800 -0.018 0.000 2.386 368 G HA2 0.148 4.108 3.960 0.000 0.000 0.302 368 G HA3 0.148 4.108 3.960 0.000 0.000 0.302 368 G C 0.279 175.129 174.900 -0.084 0.000 1.629 368 G CA -0.718 44.354 45.100 -0.046 0.000 0.917 368 G HN 0.223 nan 8.290 nan 0.000 0.676 369 V N 1.254 121.087 119.914 -0.136 0.000 2.332 369 V HA -0.147 3.973 4.120 0.000 0.000 0.248 369 V C 3.189 179.105 176.094 -0.297 0.000 1.055 369 V CA 3.354 65.486 62.300 -0.281 0.000 1.038 369 V CB -0.862 30.767 31.823 -0.323 0.000 0.651 369 V HN 1.213 nan 8.190 nan 0.000 0.450 370 A N -1.146 121.581 122.820 -0.154 0.000 1.969 370 A HA -0.200 4.120 4.320 0.000 0.000 0.218 370 A C 2.208 179.774 177.584 -0.029 0.000 1.169 370 A CA 1.320 53.314 52.037 -0.072 0.000 0.635 370 A CB -0.338 18.634 19.000 -0.046 0.000 0.810 370 A HN 0.533 nan 8.150 nan 0.000 0.445 371 Q N -0.535 119.244 119.800 -0.035 0.000 2.046 371 Q HA -0.182 4.158 4.340 0.000 0.000 0.200 371 Q C 2.028 178.038 176.000 0.016 0.000 0.975 371 Q CA 1.757 57.553 55.803 -0.011 0.000 0.836 371 Q CB -0.392 28.348 28.738 0.002 0.000 0.896 371 Q HN 0.726 nan 8.270 nan 0.000 0.428 372 E N 0.524 120.733 120.200 0.015 0.000 2.023 372 E HA -0.168 4.182 4.350 0.000 0.000 0.196 372 E C 1.737 178.449 176.600 0.186 0.000 1.003 372 E CA 1.505 57.951 56.400 0.077 0.000 0.809 372 E CB -0.294 29.449 29.700 0.071 0.000 0.755 372 E HN 0.528 nan 8.360 nan 0.000 0.449 373 H N -1.844 117.227 119.070 0.003 0.000 2.518 373 H HA -0.001 4.555 4.556 0.000 0.000 0.289 373 H C 1.414 176.750 175.328 0.012 0.000 1.051 373 H CA 0.403 56.455 56.048 0.007 0.000 1.280 373 H CB 0.192 29.956 29.762 0.003 0.000 1.380 373 H HN 0.253 nan 8.280 nan 0.000 0.566 374 G N -0.396 108.479 108.800 0.125 0.000 3.141 374 G HA2 0.229 4.190 3.960 0.000 0.000 0.218 374 G HA3 0.229 4.190 3.960 0.000 0.000 0.218 374 G C 0.998 175.945 174.900 0.077 0.000 1.170 374 G CA 0.281 45.416 45.100 0.058 0.000 0.769 374 G HN 0.504 nan 8.290 nan 0.000 0.546 375 G N 0.275 109.149 108.800 0.124 0.000 2.204 375 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 375 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 375 G C 0.948 176.020 174.900 0.287 0.000 1.062 375 G CA 0.254 45.479 45.100 0.209 0.000 0.798 375 G HN 0.506 nan 8.290 nan 0.000 0.496 376 I N 0.161 120.805 120.570 0.123 0.000 2.335 376 I HA -0.114 4.056 4.170 0.000 0.000 0.251 376 I C 2.464 178.624 176.117 0.071 0.000 1.129 376 I CA 1.632 62.986 61.300 0.090 0.000 1.402 376 I CB -0.290 37.726 38.000 0.027 0.000 1.069 376 I HN 0.528 nan 8.210 nan 0.000 0.424 377 I N 1.081 121.672 120.570 0.033 0.000 2.099 377 I HA -0.357 3.813 4.170 0.000 0.000 0.239 377 I C 2.763 178.893 176.117 0.022 0.000 1.066 377 I CA 2.095 63.390 61.300 -0.008 0.000 1.324 377 I CB -0.644 37.350 38.000 -0.010 0.000 1.037 377 I HN 0.308 nan 8.210 nan 0.000 0.401 378 R N 0.407 120.929 120.500 0.036 0.000 2.092 378 R HA -0.173 4.167 4.340 0.000 0.000 0.231 378 R C 2.088 178.355 176.300 -0.055 0.000 1.119 378 R CA 1.743 57.824 56.100 -0.032 0.000 0.970 378 R CB -0.945 29.300 30.300 -0.092 0.000 0.864 378 R HN 0.402 nan 8.270 nan 0.000 0.440 379 H N 0.731 119.816 119.070 0.025 0.000 2.326 379 H HA 0.072 4.628 4.556 0.000 0.000 0.301 379 H C 2.367 177.741 175.328 0.077 0.000 1.081 379 H CA 1.814 57.891 56.048 0.049 0.000 1.334 379 H CB -0.529 29.270 29.762 0.061 0.000 1.385 379 H HN 0.474 nan 8.280 nan 0.000 0.504 380 G N 0.387 109.309 108.800 0.203 0.000 2.469 380 G HA2 -0.318 3.642 3.960 0.000 0.000 0.219 380 G HA3 -0.318 3.642 3.960 0.000 0.000 0.219 380 G C 1.898 176.892 174.900 0.157 0.000 1.150 380 G CA 1.049 46.262 45.100 0.189 0.000 0.763 380 G HN 0.538 nan 8.290 nan 0.000 0.561 381 A N 0.669 123.547 122.820 0.095 0.000 2.015 381 A HA 0.030 4.350 4.320 0.000 0.000 0.219 381 A C 2.268 179.930 177.584 0.130 0.000 1.163 381 A CA 1.860 53.956 52.037 0.098 0.000 0.646 381 A CB -0.324 18.712 19.000 0.060 0.000 0.806 381 A HN 0.411 nan 8.150 nan 0.000 0.448 382 K N -0.873 119.582 120.400 0.091 0.000 2.074 382 K HA -0.195 4.125 4.320 0.000 0.000 0.209 382 K C 1.845 178.537 176.600 0.154 0.000 1.048 382 K CA 1.555 57.889 56.287 0.078 0.000 0.926 382 K CB -0.385 32.141 32.500 0.043 0.000 0.713 382 K HN 0.418 nan 8.250 nan 0.000 0.444 383 L N 1.294 122.621 121.223 0.174 0.000 2.072 383 L HA -0.085 4.255 4.340 0.000 0.000 0.205 383 L C 1.852 178.884 176.870 0.270 0.000 1.079 383 L CA 1.400 56.360 54.840 0.200 0.000 0.752 383 L CB -0.329 41.864 42.059 0.223 0.000 0.906 383 L HN 0.108 nan 8.230 nan 0.000 0.436 384 L N -1.900 119.470 121.223 0.245 0.000 2.046 384 L HA -0.261 4.079 4.340 0.000 0.000 0.208 384 L C 2.505 179.499 176.870 0.207 0.000 1.077 384 L CA 1.641 56.610 54.840 0.215 0.000 0.747 384 L CB -1.001 41.149 42.059 0.152 0.000 0.896 384 L HN 0.287 nan 8.230 nan 0.000 0.432 385 Y N 0.811 121.163 120.300 0.087 0.000 2.145 385 Y HA -0.304 4.246 4.550 0.000 0.000 0.286 385 Y C 2.535 178.467 175.900 0.053 0.000 1.145 385 Y CA 1.370 59.505 58.100 0.059 0.000 1.148 385 Y CB -0.331 38.152 38.460 0.039 0.000 0.981 385 Y HN 0.107 nan 8.280 nan 0.000 0.507 386 A N -0.576 122.418 122.820 0.290 0.000 1.865 386 A HA -0.230 4.090 4.320 0.000 0.000 0.217 386 A C 2.052 179.645 177.584 0.015 0.000 1.191 386 A CA 1.962 54.081 52.037 0.137 0.000 0.623 386 A CB -1.499 17.516 19.000 0.026 0.000 0.826 386 A HN 0.605 nan 8.150 nan 0.000 0.444 387 Y N 0.614 120.939 120.300 0.040 0.000 2.145 387 Y HA -0.163 4.388 4.550 0.000 0.000 0.286 387 Y C 3.135 179.008 175.900 -0.046 0.000 1.145 387 Y CA 1.612 59.709 58.100 -0.006 0.000 1.148 387 Y CB -0.617 37.834 38.460 -0.015 0.000 0.981 387 Y HN 0.277 nan 8.280 nan 0.000 0.507 388 S N -0.339 115.427 115.700 0.111 0.000 2.374 388 S HA -0.270 4.200 4.470 0.000 0.000 0.227 388 S C 2.002 176.548 174.600 -0.090 0.000 1.037 388 S CA 1.626 59.815 58.200 -0.019 0.000 1.024 388 S CB -0.356 62.799 63.200 -0.075 0.000 0.861 388 S HN 0.535 nan 8.310 nan 0.000 0.456 389 E N 1.218 121.321 120.200 -0.162 0.000 2.150 389 E HA -0.005 4.345 4.350 0.000 0.000 0.193 389 E C 0.700 177.258 176.600 -0.071 0.000 0.985 389 E CA 0.396 56.693 56.400 -0.172 0.000 0.814 389 E CB -0.096 29.474 29.700 -0.217 0.000 0.752 389 E HN 0.465 nan 8.360 nan 0.000 0.466 390 A N 0.801 123.598 122.820 -0.038 0.000 2.546 390 A HA 0.036 4.356 4.320 0.000 0.000 0.243 390 A C 0.963 178.531 177.584 -0.028 0.000 1.063 390 A CA 0.728 52.747 52.037 -0.029 0.000 0.757 390 A CB 0.233 19.223 19.000 -0.015 0.000 0.991 390 A HN 0.370 nan 8.150 nan 0.000 0.503 391 T N -0.092 114.436 114.554 -0.042 0.000 3.010 391 T HA 0.287 4.637 4.350 0.000 0.000 0.257 391 T C 0.668 175.340 174.700 -0.046 0.000 1.020 391 T CA 0.468 62.538 62.100 -0.050 0.000 0.938 391 T CB -1.176 67.651 68.868 -0.068 0.000 1.049 391 T HN 1.177 nan 8.240 nan 0.000 0.522 392 V N -0.342 119.551 119.914 -0.036 0.000 3.237 392 V HA 0.419 4.539 4.120 0.000 0.000 0.305 392 V C -2.739 173.352 176.094 -0.006 0.000 1.096 392 V CA -2.267 60.020 62.300 -0.022 0.000 1.130 392 V CB -0.409 31.404 31.823 -0.016 0.000 1.048 392 V HN -0.014 nan 8.190 nan 0.000 0.484 393 P HA 0.248 nan 4.420 nan 0.000 0.265 393 P C -0.883 176.430 177.300 0.023 0.000 1.193 393 P CA 0.279 63.385 63.100 0.011 0.000 0.765 393 P CB 0.184 31.895 31.700 0.018 0.000 0.823 394 K N 3.414 123.826 120.400 0.019 0.000 2.502 394 K HA 0.503 4.824 4.320 0.000 0.000 0.254 394 K C -0.927 175.667 176.600 -0.010 0.000 0.947 394 K CA -0.507 55.799 56.287 0.030 0.000 0.834 394 K CB 1.417 33.951 32.500 0.056 0.000 1.112 394 K HN 0.327 nan 8.250 nan 0.000 0.427 395 I N 2.619 123.173 120.570 -0.026 0.000 2.447 395 I HA 0.305 4.475 4.170 0.000 0.000 0.287 395 I C -0.326 175.705 176.117 -0.143 0.000 1.023 395 I CA -0.555 60.704 61.300 -0.067 0.000 1.083 395 I CB 1.730 39.702 38.000 -0.047 0.000 1.245 395 I HN 0.485 nan 8.210 nan 0.000 0.434 396 T N 5.450 119.902 114.554 -0.169 0.000 2.824 396 T HA 0.593 4.943 4.350 0.000 0.000 0.282 396 T C -0.233 174.323 174.700 -0.240 0.000 0.993 396 T CA -0.479 61.482 62.100 -0.232 0.000 0.967 396 T CB 2.362 71.100 68.868 -0.217 0.000 0.960 396 T HN 0.220 nan 8.240 nan 0.000 0.441 397 V N 4.845 124.553 119.914 -0.342 0.000 2.409 397 V HA 0.477 4.597 4.120 0.000 0.000 0.291 397 V C -0.146 175.794 176.094 -0.257 0.000 1.020 397 V CA -0.841 61.286 62.300 -0.288 0.000 0.848 397 V CB 1.337 32.952 31.823 -0.347 0.000 0.990 397 V HN 0.802 nan 8.190 nan 0.000 0.430 398 I N 5.814 126.261 120.570 -0.206 0.000 2.304 398 I HA 0.281 4.451 4.170 0.000 0.000 0.291 398 I C 0.828 176.770 176.117 -0.291 0.000 1.018 398 I CA -0.210 60.988 61.300 -0.170 0.000 1.260 398 I CB 1.414 39.379 38.000 -0.058 0.000 1.390 398 I HN 0.576 nan 8.210 nan 0.000 0.475 399 L N 5.166 126.187 121.223 -0.336 0.000 2.168 399 L HA 0.192 4.532 4.340 0.000 0.000 0.203 399 L C 1.742 178.531 176.870 -0.135 0.000 1.078 399 L CA 0.902 55.443 54.840 -0.497 0.000 0.780 399 L CB -0.081 41.671 42.059 -0.512 0.000 0.939 399 L HN 0.670 nan 8.230 nan 0.000 0.451 400 R N -0.970 119.488 120.500 -0.069 0.000 2.898 400 R HA 0.267 4.607 4.340 0.000 0.000 0.092 400 R C -0.603 175.669 176.300 -0.047 0.000 0.570 400 R CA -0.668 55.429 56.100 -0.006 0.000 0.381 400 R CB 0.638 30.964 30.300 0.044 0.000 0.320 400 R HN -0.181 nan 8.270 nan 0.000 0.321 401 K N 0.649 120.975 120.400 -0.124 0.000 2.382 401 K HA 0.359 4.679 4.320 0.000 0.000 0.275 401 K C -1.061 175.379 176.600 -0.267 0.000 1.009 401 K CA 0.533 56.622 56.287 -0.330 0.000 0.970 401 K CB 1.267 33.372 32.500 -0.658 0.000 0.934 401 K HN 0.464 nan 8.250 nan 0.000 0.479 402 A N 3.764 126.468 122.820 -0.192 0.000 2.872 402 A HA 0.334 4.654 4.320 0.000 0.000 0.305 402 A C -1.742 175.972 177.584 0.217 0.000 1.171 402 A CA -0.753 51.299 52.037 0.024 0.000 0.782 402 A CB 0.340 19.436 19.000 0.160 0.000 1.329 402 A HN 0.488 nan 8.150 nan 0.000 0.432 403 Y N 0.807 121.160 120.300 0.088 0.000 2.364 403 Y HA 0.676 5.226 4.550 0.000 0.000 0.340 403 Y C 1.125 177.101 175.900 0.127 0.000 0.975 403 Y CA -0.330 57.817 58.100 0.079 0.000 1.089 403 Y CB 1.415 39.911 38.460 0.061 0.000 1.192 403 Y HN 1.467 nan 8.280 nan 0.000 0.454 404 G N 1.829 110.802 108.800 0.288 0.000 2.564 404 G HA2 -0.265 3.695 3.960 0.000 0.000 0.273 404 G HA3 -0.265 3.695 3.960 0.000 0.000 0.273 404 G C 1.229 176.294 174.900 0.275 0.000 1.242 404 G CA 0.190 45.431 45.100 0.236 0.000 0.951 404 G HN 1.170 nan 8.290 nan 0.000 0.564 405 G N -0.242 108.718 108.800 0.268 0.000 2.450 405 G HA2 0.204 4.164 3.960 0.000 0.000 0.220 405 G HA3 0.204 4.164 3.960 0.000 0.000 0.220 405 G C 2.111 177.206 174.900 0.325 0.000 1.130 405 G CA 2.908 48.187 45.100 0.297 0.000 0.760 405 G HN 1.915 nan 8.290 nan 0.000 0.557 406 A N 0.143 123.117 122.820 0.257 0.000 1.933 406 A HA -0.025 4.295 4.320 0.000 0.000 0.218 406 A C 2.138 179.750 177.584 0.047 0.000 1.175 406 A CA 1.667 53.704 52.037 0.001 0.000 0.628 406 A CB -0.622 18.273 19.000 -0.175 0.000 0.814 406 A HN 0.551 nan 8.150 nan 0.000 0.444 407 Y N 0.694 121.011 120.300 0.029 0.000 2.128 407 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 407 Y C 1.884 177.790 175.900 0.010 0.000 1.154 407 Y CA 1.850 59.960 58.100 0.017 0.000 1.149 407 Y CB -0.394 38.106 38.460 0.066 0.000 0.976 407 Y HN 0.263 nan 8.280 nan 0.000 0.505 408 I N 0.872 121.310 120.570 -0.221 0.000 2.127 408 I HA -0.243 3.927 4.170 0.000 0.000 0.241 408 I C 2.065 178.048 176.117 -0.223 0.000 1.075 408 I CA 0.730 61.870 61.300 -0.266 0.000 1.334 408 I CB -1.145 36.841 38.000 -0.023 0.000 1.040 408 I HN 0.346 nan 8.210 nan 0.000 0.405 412 S N -0.272 115.067 115.700 -0.602 0.000 2.593 412 S HA 0.351 4.822 4.470 0.000 0.000 0.269 412 S C 1.571 175.875 174.600 -0.494 0.000 1.334 412 S CA 0.075 57.914 58.200 -0.603 0.000 1.015 412 S CB 2.104 64.816 63.200 -0.814 0.000 0.912 412 S HN 0.193 nan 8.310 nan 0.000 0.541 413 K N 0.970 121.049 120.400 -0.535 0.000 2.173 413 K HA -0.218 4.102 4.320 0.000 0.000 0.207 413 K C 1.698 178.075 176.600 -0.371 0.000 1.046 413 K CA 2.074 58.111 56.287 -0.416 0.000 0.929 413 K CB -0.709 31.580 32.500 -0.351 0.000 0.720 413 K HN 0.821 nan 8.250 nan 0.000 0.453 414 H N -1.019 117.959 119.070 -0.153 0.000 2.524 414 H HA -0.009 4.547 4.556 0.000 0.000 0.282 414 H C 0.962 176.225 175.328 -0.109 0.000 1.016 414 H CA 0.807 56.775 56.048 -0.133 0.000 1.270 414 H CB 0.145 29.801 29.762 -0.177 0.000 1.394 414 H HN 0.090 nan 8.280 nan 0.000 0.568 415 L N -0.195 120.983 121.223 -0.074 0.000 2.628 415 L HA 0.247 4.587 4.340 0.000 0.000 0.229 415 L C 1.336 178.175 176.870 -0.052 0.000 1.137 415 L CA 0.734 55.538 54.840 -0.059 0.000 0.909 415 L CB 0.053 42.054 42.059 -0.097 0.000 1.137 415 L HN 0.464 nan 8.230 nan 0.000 0.470 416 G N -0.841 107.918 108.800 -0.070 0.000 2.140 416 G HA2 -0.154 3.806 3.960 0.000 0.000 0.211 416 G HA3 -0.154 3.806 3.960 0.000 0.000 0.211 416 G C 0.490 175.356 174.900 -0.057 0.000 1.013 416 G CA -0.085 44.986 45.100 -0.048 0.000 0.705 416 G HN 0.599 nan 8.290 nan 0.000 0.508 417 A N 0.231 122.988 122.820 -0.105 0.000 2.511 417 A HA 0.489 4.809 4.320 0.000 0.000 0.242 417 A C 0.715 178.261 177.584 -0.064 0.000 1.069 417 A CA 0.546 52.525 52.037 -0.098 0.000 0.763 417 A CB 0.355 19.257 19.000 -0.163 0.000 1.001 417 A HN 0.405 nan 8.150 nan 0.000 0.498 421 L N 3.621 124.779 121.223 -0.108 0.000 2.331 421 L HA 0.994 5.334 4.340 0.000 0.000 0.275 421 L C 0.344 177.172 176.870 -0.071 0.000 1.022 421 L CA -0.586 54.178 54.840 -0.127 0.000 0.812 421 L CB 1.928 43.890 42.059 -0.161 0.000 1.257 421 L HN 0.780 nan 8.230 nan 0.000 0.435 422 A N 1.402 124.197 122.820 -0.041 0.000 2.355 422 A HA 0.675 4.995 4.320 0.000 0.000 0.317 422 A C -1.427 176.251 177.584 0.156 0.000 1.094 422 A CA -0.492 51.547 52.037 0.003 0.000 0.764 422 A CB 0.717 19.682 19.000 -0.059 0.000 1.230 422 A HN 0.552 nan 8.150 nan 0.000 0.448 423 W N 2.132 123.384 121.300 -0.081 0.000 2.126 423 W HA 0.391 5.051 4.660 -0.000 0.000 0.346 423 W C -1.866 174.601 176.519 -0.087 0.000 1.279 423 W CA -1.516 55.789 57.345 -0.066 0.000 1.259 423 W CB -0.164 29.276 29.460 -0.033 0.000 1.133 423 W HN 0.517 nan 8.180 nan 0.000 0.592 424 P HA -0.158 nan 4.420 nan 0.000 0.225 424 P C 1.311 178.658 177.300 0.077 0.000 1.148 424 P CA 1.910 65.039 63.100 0.049 0.000 0.779 424 P CB -0.001 31.735 31.700 0.060 0.000 0.780 425 S N -1.496 114.290 115.700 0.143 0.000 2.562 425 S HA 0.225 4.695 4.470 0.000 0.000 0.221 425 S C 1.155 175.815 174.600 0.099 0.000 0.975 425 S CA -0.089 58.189 58.200 0.130 0.000 0.918 425 S CB -0.931 62.373 63.200 0.173 0.000 0.772 425 S HN 0.141 nan 8.310 nan 0.000 0.531 426 A N 1.540 124.408 122.820 0.079 0.000 2.531 426 A HA 0.321 4.642 4.320 0.000 0.000 0.236 426 A C 0.297 177.901 177.584 0.034 0.000 1.062 426 A CA 0.009 52.063 52.037 0.029 0.000 0.760 426 A CB -0.007 18.988 19.000 -0.007 0.000 0.995 426 A HN 0.548 nan 8.150 nan 0.000 0.501 427 E N 2.141 122.376 120.200 0.059 0.000 2.402 427 E HA 0.472 4.822 4.350 0.000 0.000 0.244 427 E C -1.443 175.261 176.600 0.173 0.000 0.945 427 E CA -0.221 56.259 56.400 0.134 0.000 0.774 427 E CB 0.600 30.433 29.700 0.222 0.000 1.296 427 E HN 0.627 nan 8.360 nan 0.000 0.414 428 I N 3.137 123.749 120.570 0.071 0.000 2.339 428 I HA 0.648 4.818 4.170 0.000 0.000 0.290 428 I C -0.218 175.900 176.117 0.002 0.000 0.994 428 I CA -0.560 60.724 61.300 -0.027 0.000 1.191 428 I CB 1.639 39.521 38.000 -0.198 0.000 1.343 428 I HN 0.446 nan 8.210 nan 0.000 0.458 429 A N 5.441 128.286 122.820 0.041 0.000 2.547 429 A HA 0.580 4.900 4.320 0.000 0.000 0.297 429 A C -0.528 177.075 177.584 0.031 0.000 1.056 429 A CA -0.493 51.566 52.037 0.037 0.000 0.688 429 A CB 1.573 20.547 19.000 -0.044 0.000 1.282 429 A HN 0.465 nan 8.150 nan 0.000 0.400 433 P HA -0.099 nan 4.420 nan 0.000 0.218 433 P C 1.993 179.194 177.300 -0.165 0.000 1.150 433 P CA 2.470 65.488 63.100 -0.135 0.000 0.841 433 P CB 0.383 32.106 31.700 0.037 0.000 0.784 434 E N -0.463 119.672 120.200 -0.108 0.000 2.072 434 E HA -0.029 4.321 4.350 0.000 0.000 0.190 434 E C 2.343 178.880 176.600 -0.106 0.000 0.982 434 E CA 1.347 57.702 56.400 -0.075 0.000 0.803 434 E CB -1.888 27.796 29.700 -0.027 0.000 0.755 434 E HN 0.327 nan 8.360 nan 0.000 0.453 435 G N 0.577 109.305 108.800 -0.119 0.000 2.404 435 G HA2 0.042 4.002 3.960 0.000 0.000 0.215 435 G HA3 0.042 4.002 3.960 0.000 0.000 0.215 435 G C 2.047 176.839 174.900 -0.179 0.000 1.174 435 G CA 1.952 46.982 45.100 -0.117 0.000 0.780 435 G HN 0.840 nan 8.290 nan 0.000 0.537 436 A N 1.415 124.071 122.820 -0.274 0.000 1.851 436 A HA 0.171 4.491 4.320 0.000 0.000 0.216 436 A C 2.862 180.160 177.584 -0.478 0.000 1.195 436 A CA 2.663 54.452 52.037 -0.413 0.000 0.622 436 A CB -1.062 17.574 19.000 -0.607 0.000 0.831 436 A HN 0.885 nan 8.150 nan 0.000 0.444 437 A N -0.092 122.429 122.820 -0.497 0.000 1.908 437 A HA -0.230 4.091 4.320 0.000 0.000 0.218 437 A C 1.964 179.546 177.584 -0.004 0.000 1.181 437 A CA 1.914 53.836 52.037 -0.192 0.000 0.627 437 A CB -0.717 18.252 19.000 -0.051 0.000 0.818 437 A HN 0.562 nan 8.150 nan 0.000 0.445 438 N N -0.004 118.657 118.700 -0.064 0.000 2.166 438 N HA -0.106 4.634 4.740 0.000 0.000 0.186 438 N C 1.653 177.132 175.510 -0.051 0.000 1.019 438 N CA 1.573 54.606 53.050 -0.028 0.000 0.856 438 N CB -0.394 38.069 38.487 -0.041 0.000 0.993 438 N HN 0.607 nan 8.380 nan 0.000 0.426 439 I N 0.752 121.254 120.570 -0.114 0.000 2.162 439 I HA -0.183 3.987 4.170 0.000 0.000 0.238 439 I C 2.000 178.009 176.117 -0.181 0.000 1.076 439 I CA 0.827 62.049 61.300 -0.129 0.000 1.353 439 I CB -0.216 37.697 38.000 -0.145 0.000 1.063 439 I HN -0.017 nan 8.210 nan 0.000 0.408 440 I N -0.041 120.340 120.570 -0.316 0.000 2.335 440 I HA -0.268 3.902 4.170 0.000 0.000 0.251 440 I C 0.997 176.769 176.117 -0.575 0.000 1.129 440 I CA 1.595 62.582 61.300 -0.521 0.000 1.402 440 I CB -0.130 37.371 38.000 -0.830 0.000 1.069 440 I HN 0.111 nan 8.210 nan 0.000 0.424 441 F N -0.110 119.780 119.950 -0.100 0.000 2.837 441 F HA 0.151 4.678 4.527 0.000 0.000 0.298 441 F C 1.810 177.577 175.800 -0.054 0.000 1.161 441 F CA -0.251 57.710 58.000 -0.065 0.000 1.353 441 F CB -0.435 38.529 39.000 -0.059 0.000 0.951 441 F HN -0.291 nan 8.300 nan 0.000 0.508 442 K N 1.023 121.448 120.400 0.042 0.000 2.020 442 K HA -0.231 4.089 4.320 0.000 0.000 0.212 442 K C 2.700 179.320 176.600 0.034 0.000 1.050 442 K CA 1.952 58.252 56.287 0.022 0.000 0.929 442 K CB -0.476 32.013 32.500 -0.018 0.000 0.714 442 K HN 0.473 nan 8.250 nan 0.000 0.443 443 R N 0.854 121.373 120.500 0.031 0.000 2.075 443 R HA -0.036 4.304 4.340 0.000 0.000 0.232 443 R C 2.378 178.704 176.300 0.045 0.000 1.126 443 R CA 2.233 58.351 56.100 0.029 0.000 0.963 443 R CB -1.251 29.061 30.300 0.020 0.000 0.858 443 R HN 0.731 nan 8.270 nan 0.000 0.435 444 E N 0.526 120.773 120.200 0.079 0.000 2.051 444 E HA -0.041 4.309 4.350 0.000 0.000 0.192 444 E C 2.018 178.644 176.600 0.043 0.000 0.991 444 E CA 1.463 57.908 56.400 0.075 0.000 0.799 444 E CB -0.219 29.558 29.700 0.128 0.000 0.748 444 E HN 0.616 nan 8.360 nan 0.000 0.449 445 I N 0.929 121.530 120.570 0.052 0.000 2.142 445 I HA -0.304 3.866 4.170 0.000 0.000 0.240 445 I C 2.171 178.296 176.117 0.014 0.000 1.078 445 I CA 1.415 62.729 61.300 0.022 0.000 1.343 445 I CB -0.289 37.729 38.000 0.030 0.000 1.046 445 I HN 0.126 nan 8.210 nan 0.000 0.405 446 E N 0.822 121.033 120.200 0.017 0.000 2.058 446 E HA -0.240 4.110 4.350 0.000 0.000 0.194 446 E C 2.205 178.810 176.600 0.008 0.000 0.997 446 E CA 1.507 57.913 56.400 0.010 0.000 0.801 446 E CB -0.242 29.464 29.700 0.009 0.000 0.746 446 E HN 0.535 nan 8.360 nan 0.000 0.450 447 A N 1.290 124.116 122.820 0.011 0.000 2.119 447 A HA -0.023 4.297 4.320 0.000 0.000 0.216 447 A C 1.274 178.861 177.584 0.006 0.000 1.152 447 A CA 0.409 52.451 52.037 0.009 0.000 0.708 447 A CB -0.296 18.712 19.000 0.013 0.000 0.805 447 A HN 0.267 nan 8.150 nan 0.000 0.460 448 S N 0.271 115.973 115.700 0.004 0.000 2.585 448 S HA 0.256 4.726 4.470 0.000 0.000 0.273 448 S C 0.848 175.446 174.600 -0.002 0.000 1.339 448 S CA 0.188 58.387 58.200 -0.002 0.000 1.028 448 S CB 1.117 64.312 63.200 -0.008 0.000 0.906 448 S HN 0.751 nan 8.310 nan 0.000 0.528 449 S N 0.446 116.144 115.700 -0.003 0.000 2.701 449 S HA 0.161 4.631 4.470 0.000 0.000 0.220 449 S C 0.324 174.921 174.600 -0.004 0.000 0.954 449 S CA -0.423 57.775 58.200 -0.003 0.000 0.936 449 S CB -0.769 62.429 63.200 -0.002 0.000 0.777 449 S HN 0.758 nan 8.310 nan 0.000 0.518 450 N N 1.143 119.839 118.700 -0.006 0.000 2.751 450 N HA 0.315 5.055 4.740 0.000 0.000 0.234 450 N C -2.804 172.700 175.510 -0.010 0.000 1.403 450 N CA -1.455 51.591 53.050 -0.008 0.000 0.747 450 N CB 1.522 40.004 38.487 -0.008 0.000 1.326 450 N HN -0.055 nan 8.380 nan 0.000 0.532 451 P HA -0.090 nan 4.420 nan 0.000 0.216 451 P C 1.094 178.387 177.300 -0.011 0.000 1.150 451 P CA 1.067 64.162 63.100 -0.008 0.000 0.837 451 P CB 0.576 32.273 31.700 -0.004 0.000 0.786 452 E N -1.168 119.026 120.200 -0.009 0.000 2.208 452 E HA -0.111 4.240 4.350 0.000 0.000 0.193 452 E C 2.374 178.967 176.600 -0.012 0.000 0.988 452 E CA 1.276 57.671 56.400 -0.009 0.000 0.828 452 E CB -0.879 28.817 29.700 -0.006 0.000 0.763 452 E HN 0.528 nan 8.360 nan 0.000 0.478 453 E N 0.528 120.719 120.200 -0.014 0.000 2.016 453 E HA -0.191 4.159 4.350 0.000 0.000 0.190 453 E C 2.267 178.850 176.600 -0.029 0.000 0.985 453 E CA 1.826 58.216 56.400 -0.018 0.000 0.802 453 E CB -1.648 28.042 29.700 -0.016 0.000 0.762 453 E HN 0.594 nan 8.360 nan 0.000 0.448 454 T N -0.867 113.666 114.554 -0.035 0.000 2.720 454 T HA -0.266 4.085 4.350 0.000 0.000 0.268 454 T C 2.178 176.833 174.700 -0.075 0.000 1.037 454 T CA 1.740 63.805 62.100 -0.058 0.000 1.144 454 T CB -0.359 68.475 68.868 -0.056 0.000 0.864 454 T HN 0.458 nan 8.240 nan 0.000 0.444 455 R N 0.681 121.152 120.500 -0.049 0.000 2.094 455 R HA -0.159 4.181 4.340 0.000 0.000 0.239 455 R C 2.860 179.135 176.300 -0.042 0.000 1.137 455 R CA 1.908 57.983 56.100 -0.042 0.000 0.943 455 R CB -0.425 29.864 30.300 -0.018 0.000 0.850 455 R HN 0.364 nan 8.270 nan 0.000 0.433 456 R N 0.206 120.689 120.500 -0.029 0.000 2.092 456 R HA -0.071 4.269 4.340 0.000 0.000 0.231 456 R C 2.559 178.847 176.300 -0.020 0.000 1.119 456 R CA 1.860 57.950 56.100 -0.016 0.000 0.970 456 R CB -0.425 29.870 30.300 -0.009 0.000 0.864 456 R HN 0.368 nan 8.270 nan 0.000 0.440 457 K N 0.467 120.844 120.400 -0.039 0.000 2.025 457 K HA 0.121 4.441 4.320 0.000 0.000 0.207 457 K C 2.356 178.915 176.600 -0.069 0.000 1.049 457 K CA 1.622 57.882 56.287 -0.045 0.000 0.933 457 K CB -0.755 31.713 32.500 -0.054 0.000 0.714 457 K HN 0.461 nan 8.250 nan 0.000 0.438 458 L N -0.004 121.134 121.223 -0.141 0.000 2.131 458 L HA -0.060 4.281 4.340 0.000 0.000 0.210 458 L C 2.379 179.209 176.870 -0.067 0.000 1.092 458 L CA 1.233 55.919 54.840 -0.256 0.000 0.759 458 L CB -0.528 41.199 42.059 -0.553 0.000 0.903 458 L HN 0.184 nan 8.230 nan 0.000 0.435 459 I N -0.331 120.232 120.570 -0.011 0.000 2.179 459 I HA -0.295 3.875 4.170 0.000 0.000 0.242 459 I C 2.715 178.897 176.117 0.108 0.000 1.088 459 I CA 1.388 62.724 61.300 0.060 0.000 1.357 459 I CB -0.261 37.757 38.000 0.029 0.000 1.051 459 I HN 0.337 nan 8.210 nan 0.000 0.409 460 E N 1.189 121.428 120.200 0.065 0.000 2.051 460 E HA -0.290 4.061 4.350 0.000 0.000 0.192 460 E C 2.245 178.904 176.600 0.098 0.000 0.991 460 E CA 1.922 58.365 56.400 0.072 0.000 0.799 460 E CB 0.017 29.740 29.700 0.039 0.000 0.748 460 E HN 0.530 nan 8.360 nan 0.000 0.449 461 E N 0.674 120.924 120.200 0.084 0.000 2.049 461 E HA -0.262 4.088 4.350 0.000 0.000 0.198 461 E C 1.696 178.433 176.600 0.228 0.000 1.007 461 E CA 1.670 58.138 56.400 0.113 0.000 0.809 461 E CB -1.367 28.368 29.700 0.058 0.000 0.749 461 E HN 0.580 nan 8.360 nan 0.000 0.450 462 Y N 1.483 121.883 120.300 0.166 0.000 2.224 462 Y HA -0.180 4.370 4.550 0.000 0.000 0.289 462 Y C 2.761 178.805 175.900 0.240 0.000 1.146 462 Y CA 2.593 60.855 58.100 0.271 0.000 1.182 462 Y CB -0.050 38.520 38.460 0.184 0.000 0.983 462 Y HN 0.165 nan 8.280 nan 0.000 0.524 463 K N 0.129 120.707 120.400 0.298 0.000 2.026 463 K HA -0.194 4.127 4.320 0.000 0.000 0.208 463 K C 2.014 178.678 176.600 0.107 0.000 1.048 463 K CA 1.943 58.344 56.287 0.191 0.000 0.929 463 K CB -0.661 31.939 32.500 0.166 0.000 0.713 463 K HN 0.634 nan 8.250 nan 0.000 0.439 464 Q N 0.158 120.018 119.800 0.099 0.000 2.079 464 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 464 Q C 2.360 178.368 176.000 0.012 0.000 0.974 464 Q CA 1.579 57.418 55.803 0.060 0.000 0.840 464 Q CB -0.116 28.653 28.738 0.052 0.000 0.898 464 Q HN 0.573 nan 8.270 nan 0.000 0.430 465 Q N -1.283 118.516 119.800 -0.002 0.000 2.297 465 Q HA 0.054 4.394 4.340 0.000 0.000 0.203 465 Q C 1.084 176.812 176.000 -0.452 0.000 0.931 465 Q CA 0.624 56.316 55.803 -0.185 0.000 0.885 465 Q CB 0.457 29.107 28.738 -0.148 0.000 0.991 465 Q HN 0.271 nan 8.270 nan 0.000 0.498 466 F N -1.224 118.563 119.950 -0.272 0.000 2.667 466 F HA 0.318 4.845 4.527 0.000 0.000 0.288 466 F C 1.876 177.501 175.800 -0.290 0.000 1.086 466 F CA 0.337 58.102 58.000 -0.392 0.000 1.297 466 F CB 0.189 38.660 39.000 -0.882 0.000 1.059 466 F HN -0.062 nan 8.300 nan 0.000 0.624 467 A N 0.370 123.150 122.820 -0.066 0.000 2.178 467 A HA 0.037 4.357 4.320 0.000 0.000 0.211 467 A C 0.667 178.270 177.584 0.032 0.000 1.157 467 A CA 0.106 52.152 52.037 0.015 0.000 0.780 467 A CB -1.412 17.640 19.000 0.087 0.000 0.828 467 A HN 0.468 nan 8.150 nan 0.000 0.476 468 N N 0.392 119.109 118.700 0.028 0.000 2.344 468 N HA 0.100 4.840 4.740 0.000 0.000 0.236 468 N C -1.773 173.719 175.510 -0.028 0.000 1.279 468 N CA -0.658 52.419 53.050 0.046 0.000 0.882 468 N CB 0.158 38.733 38.487 0.148 0.000 1.110 468 N HN -0.009 nan 8.380 nan 0.000 0.436 469 P HA -0.098 nan 4.420 nan 0.000 0.237 469 P C 0.123 177.242 177.300 -0.302 0.000 1.178 469 P CA 1.062 64.006 63.100 -0.260 0.000 0.766 469 P CB -0.120 31.365 31.700 -0.358 0.000 0.876 470 Y N -0.575 119.710 120.300 -0.026 0.000 2.516 470 Y HA -0.037 4.513 4.550 0.000 0.000 0.291 470 Y C 2.464 178.327 175.900 -0.062 0.000 1.131 470 Y CA 0.239 58.314 58.100 -0.043 0.000 1.281 470 Y CB -0.795 37.634 38.460 -0.052 0.000 1.013 470 Y HN -0.155 nan 8.280 nan 0.000 0.554 471 I N 0.174 120.772 120.570 0.047 0.000 2.142 471 I HA -0.262 3.908 4.170 0.000 0.000 0.240 471 I C 2.538 178.646 176.117 -0.016 0.000 1.078 471 I CA 1.463 62.760 61.300 -0.006 0.000 1.343 471 I CB -1.710 36.278 38.000 -0.019 0.000 1.046 471 I HN 0.174 nan 8.210 nan 0.000 0.405 472 A N 0.825 123.654 122.820 0.015 0.000 1.933 472 A HA -0.086 4.234 4.320 0.000 0.000 0.218 472 A C 2.532 180.093 177.584 -0.039 0.000 1.175 472 A CA 1.938 54.014 52.037 0.065 0.000 0.628 472 A CB -0.789 18.298 19.000 0.144 0.000 0.814 472 A HN 0.427 nan 8.150 nan 0.000 0.444 473 A N 0.297 123.098 122.820 -0.032 0.000 1.972 473 A HA -0.067 4.253 4.320 0.000 0.000 0.219 473 A C 2.432 179.986 177.584 -0.049 0.000 1.169 473 A CA 2.127 54.146 52.037 -0.029 0.000 0.635 473 A CB -0.842 18.155 19.000 -0.005 0.000 0.810 473 A HN 1.019 nan 8.150 nan 0.000 0.446 474 S N -1.180 114.486 115.700 -0.056 0.000 2.481 474 S HA -0.012 4.458 4.470 0.000 0.000 0.231 474 S C 1.708 176.220 174.600 -0.147 0.000 0.996 474 S CA 0.573 58.730 58.200 -0.070 0.000 0.942 474 S CB -0.164 63.008 63.200 -0.047 0.000 0.768 474 S HN 0.481 nan 8.310 nan 0.000 0.520 475 R N 0.518 120.845 120.500 -0.288 0.000 2.290 475 R HA 0.285 4.625 4.340 0.000 0.000 0.197 475 R C 1.749 177.781 176.300 -0.447 0.000 0.913 475 R CA 0.719 56.514 56.100 -0.509 0.000 1.040 475 R CB -0.493 29.120 30.300 -1.146 0.000 0.992 475 R HN 0.632 nan 8.270 nan 0.000 0.500 476 G N 0.358 109.001 108.800 -0.261 0.000 2.175 476 G HA2 -0.312 3.648 3.960 0.000 0.000 0.244 476 G HA3 -0.312 3.648 3.960 0.000 0.000 0.244 476 G C 0.535 175.456 174.900 0.035 0.000 0.982 476 G CA 0.252 45.299 45.100 -0.088 0.000 0.641 476 G HN 0.237 nan 8.290 nan 0.000 0.527 477 Y N 0.210 120.544 120.300 0.057 0.000 2.200 477 Y HA 0.258 4.808 4.550 0.000 0.000 0.290 477 Y C 2.001 177.901 175.900 0.001 0.000 1.137 477 Y CA 0.412 58.545 58.100 0.056 0.000 1.163 477 Y CB -0.575 38.002 38.460 0.195 0.000 0.988 477 Y HN 0.184 nan 8.280 nan 0.000 0.518 478 V N 2.527 122.530 119.914 0.149 0.000 2.383 478 V HA 0.102 4.222 4.120 0.000 0.000 0.275 478 V C 0.204 176.304 176.094 0.010 0.000 1.036 478 V CA -1.249 61.080 62.300 0.048 0.000 0.889 478 V CB 0.865 32.695 31.823 0.012 0.000 0.985 478 V HN 0.163 nan 8.190 nan 0.000 0.459 482 I N -0.646 119.886 120.570 -0.064 0.000 2.957 482 I HA 0.783 4.953 4.170 0.000 0.000 0.310 482 I C -0.558 175.518 176.117 -0.068 0.000 1.063 482 I CA -0.601 60.659 61.300 -0.067 0.000 1.033 482 I CB 2.109 39.989 38.000 -0.200 0.000 1.230 482 I HN 0.587 nan 8.210 nan 0.000 0.447 483 D N 3.984 124.345 120.400 -0.064 0.000 2.348 483 D HA 0.246 4.886 4.640 0.000 0.000 0.253 483 D C -1.837 174.272 176.300 -0.318 0.000 1.161 483 D CA -1.938 51.965 54.000 -0.161 0.000 0.876 483 D CB 1.858 42.613 40.800 -0.076 0.000 1.160 483 D HN 0.319 nan 8.370 nan 0.000 0.459 484 P HA -0.130 nan 4.420 nan 0.000 0.217 484 P C 0.914 177.958 177.300 -0.427 0.000 1.148 484 P CA 1.197 63.605 63.100 -1.154 0.000 0.834 484 P CB 0.179 30.817 31.700 -1.771 0.000 0.783 485 R N -0.481 119.853 120.500 -0.277 0.000 2.316 485 R HA -0.046 4.294 4.340 0.000 0.000 0.202 485 R C 1.368 177.658 176.300 -0.017 0.000 1.029 485 R CA 0.756 56.788 56.100 -0.114 0.000 1.018 485 R CB -0.345 29.895 30.300 -0.101 0.000 0.888 485 R HN 0.390 nan 8.270 nan 0.000 0.471 486 E N -0.883 119.334 120.200 0.029 0.000 2.481 486 E HA 0.040 4.390 4.350 0.000 0.000 0.198 486 E C 0.849 177.613 176.600 0.273 0.000 1.027 486 E CA 0.038 56.532 56.400 0.157 0.000 0.900 486 E CB 0.667 30.525 29.700 0.264 0.000 0.993 486 E HN 0.161 nan 8.360 nan 0.000 0.482 487 T N 0.999 115.686 114.554 0.221 0.000 2.684 487 T HA -0.217 4.133 4.350 0.000 0.000 0.267 487 T C 1.841 176.705 174.700 0.273 0.000 1.036 487 T CA 1.259 63.548 62.100 0.314 0.000 1.148 487 T CB -0.063 69.076 68.868 0.451 0.000 0.863 487 T HN 0.156 nan 8.240 nan 0.000 0.436 488 R N 1.006 121.629 120.500 0.205 0.000 2.075 488 R HA -0.032 4.308 4.340 0.000 0.000 0.232 488 R C 2.483 178.860 176.300 0.128 0.000 1.126 488 R CA 1.465 57.661 56.100 0.159 0.000 0.963 488 R CB -0.118 30.249 30.300 0.112 0.000 0.858 488 R HN 0.295 nan 8.270 nan 0.000 0.435 489 K N -0.627 119.835 120.400 0.105 0.000 2.026 489 K HA -0.195 4.125 4.320 0.000 0.000 0.208 489 K C 1.868 178.483 176.600 0.025 0.000 1.048 489 K CA 1.647 57.953 56.287 0.031 0.000 0.929 489 K CB -0.253 32.227 32.500 -0.032 0.000 0.713 489 K HN 0.151 nan 8.250 nan 0.000 0.439 490 Y N 1.286 121.615 120.300 0.048 0.000 2.114 490 Y HA -0.171 4.379 4.550 0.000 0.000 0.282 490 Y C 1.343 177.267 175.900 0.041 0.000 1.165 490 Y CA 1.120 59.246 58.100 0.044 0.000 1.148 490 Y CB -0.169 38.325 38.460 0.055 0.000 0.972 490 Y HN 0.024 nan 8.280 nan 0.000 0.504 494 A N 1.850 124.706 122.820 0.060 0.000 1.908 494 A HA -0.051 4.269 4.320 0.000 0.000 0.218 494 A C 2.125 179.736 177.584 0.045 0.000 1.181 494 A CA 1.546 53.619 52.037 0.061 0.000 0.627 494 A CB -0.618 18.430 19.000 0.080 0.000 0.818 494 A HN 0.153 nan 8.150 nan 0.000 0.445 495 L N -1.011 120.241 121.223 0.049 0.000 2.141 495 L HA -0.173 4.167 4.340 0.000 0.000 0.209 495 L C 2.527 179.419 176.870 0.037 0.000 1.094 495 L CA 1.350 56.218 54.840 0.046 0.000 0.763 495 L CB -0.583 41.511 42.059 0.058 0.000 0.908 495 L HN 0.470 nan 8.230 nan 0.000 0.437 496 E N -0.239 119.981 120.200 0.033 0.000 2.058 496 E HA -0.215 4.136 4.350 0.000 0.000 0.194 496 E C 2.256 178.868 176.600 0.020 0.000 0.997 496 E CA 1.527 57.941 56.400 0.024 0.000 0.801 496 E CB -0.083 29.627 29.700 0.018 0.000 0.746 496 E HN 0.245 nan 8.360 nan 0.000 0.450 497 V N 0.473 120.399 119.914 0.019 0.000 2.270 497 V HA -0.271 3.849 4.120 0.000 0.000 0.245 497 V C 2.225 178.326 176.094 0.013 0.000 1.043 497 V CA 1.457 63.766 62.300 0.015 0.000 1.014 497 V CB -0.318 31.516 31.823 0.018 0.000 0.645 497 V HN 0.461 nan 8.190 nan 0.000 0.447 498 C N 0.038 119.348 119.300 0.016 0.000 2.485 498 C HA -0.045 4.415 4.460 0.000 0.000 0.283 498 C C 2.428 177.423 174.990 0.009 0.000 1.478 498 C CA 0.296 59.320 59.018 0.010 0.000 1.741 498 C CB -1.614 26.135 27.740 0.015 0.000 1.675 498 C HN 0.600 nan 8.230 nan 0.000 0.573 499 E N 0.646 120.854 120.200 0.014 0.000 2.265 499 E HA -0.153 4.197 4.350 0.000 0.000 0.196 499 E C 1.803 178.405 176.600 0.004 0.000 0.996 499 E CA 1.651 58.059 56.400 0.014 0.000 0.832 499 E CB 0.064 29.776 29.700 0.019 0.000 0.756 499 E HN 0.806 nan 8.360 nan 0.000 0.491 500 T N -1.822 112.731 114.554 -0.001 0.000 3.174 500 T HA 0.154 4.504 4.350 0.000 0.000 0.269 500 T C 0.317 175.002 174.700 -0.025 0.000 1.017 500 T CA -0.542 61.552 62.100 -0.009 0.000 0.899 500 T CB 0.100 68.966 68.868 -0.003 0.000 1.077 500 T HN -0.123 nan 8.240 nan 0.000 0.552 501 K N 2.010 122.392 120.400 -0.030 0.000 2.436 501 K HA 0.297 4.618 4.320 0.000 0.000 0.282 501 K C -1.041 175.505 176.600 -0.089 0.000 1.044 501 K CA -0.124 56.133 56.287 -0.051 0.000 1.028 501 K CB 0.291 32.767 32.500 -0.041 0.000 0.919 501 K HN 0.115 nan 8.250 nan 0.000 0.474 502 V N 4.798 124.632 119.914 -0.133 0.000 2.448 502 V HA 0.325 4.445 4.120 0.000 0.000 0.295 502 V C -0.651 175.240 176.094 -0.339 0.000 1.025 502 V CA -0.655 61.496 62.300 -0.248 0.000 0.859 502 V CB 1.478 33.152 31.823 -0.249 0.000 0.988 502 V HN 0.878 nan 8.190 nan 0.000 0.431 503 E N 2.992 122.944 120.200 -0.413 0.000 2.278 503 E HA 0.518 4.868 4.350 0.000 0.000 0.272 503 E C -1.820 174.549 176.600 -0.386 0.000 0.890 503 E CA -0.569 55.623 56.400 -0.346 0.000 0.770 503 E CB 1.865 31.472 29.700 -0.156 0.000 1.212 503 E HN 0.579 nan 8.360 nan 0.000 0.415 504 Y N 1.695 121.988 120.300 -0.011 0.000 2.374 504 Y HA 0.546 5.096 4.550 0.000 0.000 0.322 504 Y C 0.594 176.483 175.900 -0.018 0.000 1.275 504 Y CA -0.639 57.453 58.100 -0.014 0.000 1.307 504 Y CB 0.915 39.368 38.460 -0.010 0.000 1.282 504 Y HN 0.283 nan 8.280 nan 0.000 0.509 505 R N 0.574 121.179 120.500 0.175 0.000 2.771 505 R HA 0.462 4.802 4.340 0.000 0.000 0.274 505 R C -2.820 173.513 176.300 0.056 0.000 0.987 505 R CA -2.127 54.018 56.100 0.075 0.000 0.908 505 R CB 1.177 31.501 30.300 0.040 0.000 1.213 505 R HN 0.470 nan 8.270 nan 0.000 0.468 506 P HA 0.133 nan 4.420 nan 0.000 0.268 506 P C -0.691 176.612 177.300 0.005 0.000 1.205 506 P CA -0.200 62.906 63.100 0.010 0.000 0.771 506 P CB 0.525 32.226 31.700 0.002 0.000 0.858 507 K N 3.102 123.498 120.400 -0.007 0.000 2.412 507 K HA 0.217 4.537 4.320 0.000 0.000 0.281 507 K C 0.387 176.976 176.600 -0.018 0.000 1.027 507 K CA 0.143 56.423 56.287 -0.012 0.000 0.989 507 K CB 0.197 32.685 32.500 -0.021 0.000 0.935 507 K HN 0.495 nan 8.250 nan 0.000 0.475 508 K N 1.121 121.509 120.400 -0.021 0.000 2.587 508 K HA 0.229 4.549 4.320 0.000 0.000 0.276 508 K C -0.316 176.247 176.600 -0.061 0.000 0.956 508 K CA -1.072 55.185 56.287 -0.050 0.000 0.857 508 K CB 1.222 33.698 32.500 -0.040 0.000 1.431 508 K HN 0.101 nan 8.250 nan 0.000 0.420 509 K N 0.166 120.484 120.400 -0.136 0.000 2.057 509 K HA -0.134 4.186 4.320 0.000 0.000 0.207 509 K C 0.066 176.635 176.600 -0.053 0.000 1.049 509 K CA 2.129 58.339 56.287 -0.128 0.000 0.931 509 K CB -0.346 32.006 32.500 -0.247 0.000 0.714 509 K HN 0.847 nan 8.250 nan 0.000 0.440 510 H N -4.428 114.657 119.070 0.025 0.000 2.894 510 H HA 0.403 4.959 4.556 0.000 0.000 0.282 510 H C -0.257 175.106 175.328 0.057 0.000 1.448 510 H CA -0.679 55.391 56.048 0.037 0.000 1.158 510 H CB 0.321 30.097 29.762 0.024 0.000 1.818 510 H HN 0.032 nan 8.280 nan 0.000 0.493 511 G N -0.889 108.091 108.800 0.300 0.000 2.531 511 G HA2 0.315 4.275 3.960 0.000 0.000 0.281 511 G HA3 0.315 4.275 3.960 0.000 0.000 0.281 511 G C -0.575 174.497 174.900 0.286 0.000 1.382 511 G CA -0.581 44.689 45.100 0.283 0.000 1.045 511 G HN 0.732 nan 8.290 nan 0.000 0.533 512 N N -0.568 118.237 118.700 0.176 0.000 2.757 512 N HA 0.153 4.893 4.740 0.000 0.000 0.296 512 N C -0.286 175.163 175.510 -0.102 0.000 1.874 512 N CA -0.572 52.513 53.050 0.058 0.000 0.885 512 N CB -0.046 38.484 38.487 0.072 0.000 1.242 512 N HN 0.438 nan 8.380 nan 0.000 0.488 513 I N 1.294 121.633 120.570 -0.385 0.000 2.775 513 I HA 0.113 4.283 4.170 0.000 0.000 0.290 513 I C -1.764 174.152 176.117 -0.335 0.000 1.203 513 I CA -1.022 59.826 61.300 -0.753 0.000 1.433 513 I CB 0.712 38.094 38.000 -1.031 0.000 1.354 513 I HN 0.263 nan 8.210 nan 0.000 0.579 514 P HA 0.214 nan 4.420 nan 0.000 0.268 514 P C -0.905 176.283 177.300 -0.187 0.000 1.205 514 P CA 0.099 63.104 63.100 -0.158 0.000 0.771 514 P CB 0.610 32.245 31.700 -0.107 0.000 0.858 515 L N 0.000 121.119 121.223 -0.173 0.000 2.949 515 L HA 0.000 4.340 4.340 0.000 0.000 0.249 515 L CA 0.000 54.730 54.840 -0.182 0.000 0.813 515 L CB 0.000 41.981 42.059 -0.130 0.000 0.961 515 L HN 0.000 nan 8.230 nan 0.000 0.502