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 2qzs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQVLHVCSEM FPLLKTGGLA DVIGALPAAQ IADGVDARVL LPAFPDIRRG DATA SEQUENCE VTDAQVVSRR DTFAGHITLL FGHYNGVGIY LIDAPHLYDR PGSPYHDTNL DATA SEQUENCE FAYTDNVLRF ALLGWVGAEM ASGLDPFWRP DVVHAHDWHA GLAPAYLAAR DATA SEQUENCE GRPAKSVFTV HNLAYQGMFY AHHMNDIQLP WSFFNIHGLE FNGQISFLKA DATA SEQUENCE GLYYADHITA VSPTYAREIT EPQFAYGMEG LLQQRHREGR LSGVLNGVDE DATA SEQUENCE KIWSPETDLL LASRYTRDTL EDKAENKRQL QIAMGLKVDD KVPLFAVVSR DATA SEQUENCE LTSQKGLDLV LEALPGLLEQ GGQLALLGAG DPVLQEGFLA AAAEYPGQVG DATA SEQUENCE VQIGYHEAFS HRIMGGADVI LVPSRFEPCG LTQLYGLKYG TLPLVRRTGG DATA SEQUENCE LADTVSDCSL ENLADGVASG FVFEDSNAWS LLRAIRRAFV LWSRPSLWRF DATA SEQUENCE VQRQAMAMDF SWQVAAKSYR ELYYRLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.243 55.300 -0.095 0.000 0.988 1 M CB 0.000 32.497 32.600 -0.171 0.000 1.302 2 Q N 3.311 123.042 119.800 -0.115 0.000 2.322 2 Q HA 0.854 5.195 4.340 0.002 0.000 0.265 2 Q C -1.197 174.741 176.000 -0.104 0.000 0.985 2 Q CA -1.028 54.754 55.803 -0.035 0.000 0.849 2 Q CB 2.797 31.348 28.738 -0.311 0.000 1.274 2 Q HN 0.600 nan 8.270 nan 0.000 0.449 3 V N 3.197 123.158 119.914 0.079 0.000 2.656 3 V HA 0.414 4.535 4.120 0.002 0.000 0.307 3 V C -1.021 175.146 176.094 0.122 0.000 1.051 3 V CA -0.866 61.364 62.300 -0.117 0.000 0.893 3 V CB 1.921 33.492 31.823 -0.421 0.000 0.999 3 V HN 0.582 nan 8.190 nan 0.000 0.426 4 L N 4.740 126.002 121.223 0.065 0.000 2.287 4 L HA 0.570 4.911 4.340 0.002 0.000 0.287 4 L C -0.225 176.641 176.870 -0.007 0.000 1.022 4 L CA 0.058 54.992 54.840 0.157 0.000 0.814 4 L CB 0.892 43.099 42.059 0.246 0.000 1.217 4 L HN 0.610 nan 8.230 nan 0.000 0.420 5 H N 4.559 123.740 119.070 0.185 0.000 2.580 5 H HA 0.424 4.981 4.556 0.002 0.000 0.322 5 H C -0.835 174.609 175.328 0.193 0.000 1.082 5 H CA -0.375 55.795 56.048 0.203 0.000 1.383 5 H CB 1.658 31.480 29.762 0.099 0.000 1.450 5 H HN 0.368 nan 8.280 nan 0.000 0.505 6 V N 4.349 124.485 119.914 0.370 0.000 2.378 6 V HA 0.313 4.434 4.120 0.002 0.000 0.288 6 V C 0.293 176.580 176.094 0.321 0.000 1.016 6 V CA -0.531 61.939 62.300 0.283 0.000 0.840 6 V CB 0.797 32.777 31.823 0.261 0.000 0.994 6 V HN 1.029 nan 8.190 nan 0.000 0.431 7 C N 2.115 121.532 119.300 0.195 0.000 3.314 7 C HA 0.710 5.171 4.460 0.002 0.000 0.344 7 C C 1.080 176.123 174.990 0.087 0.000 1.461 7 C CA 0.027 59.125 59.018 0.134 0.000 1.249 7 C CB 1.294 29.016 27.740 -0.030 0.000 1.632 7 C HN 0.783 nan 8.230 nan 0.000 0.452 8 S N -0.760 114.969 115.700 0.048 0.000 2.539 8 S HA 0.361 4.832 4.470 0.002 0.000 0.221 8 S C -0.009 174.625 174.600 0.057 0.000 0.987 8 S CA 0.157 58.423 58.200 0.111 0.000 0.929 8 S CB -0.442 62.802 63.200 0.074 0.000 0.832 8 S HN 1.011 nan 8.310 nan 0.000 0.492 9 E N 0.203 120.380 120.200 -0.038 0.000 2.430 9 E HA 0.688 5.039 4.350 0.002 0.000 0.279 9 E C -1.414 175.133 176.600 -0.088 0.000 1.003 9 E CA -1.125 55.237 56.400 -0.064 0.000 0.801 9 E CB 1.437 31.087 29.700 -0.083 0.000 1.313 9 E HN 0.192 nan 8.360 nan 0.000 0.459 10 M N 2.447 121.999 119.600 -0.080 0.000 2.298 10 M HA 0.311 4.792 4.480 0.002 0.000 0.255 10 M C -1.992 174.288 176.300 -0.034 0.000 1.021 10 M CA -0.703 54.555 55.300 -0.071 0.000 0.968 10 M CB 1.564 34.093 32.600 -0.120 0.000 2.037 10 M HN 0.733 nan 8.290 nan 0.000 0.478 11 F N 8.020 127.930 119.950 -0.067 0.000 2.518 11 F HA 0.448 4.976 4.527 0.002 0.000 0.359 11 F C -1.633 174.150 175.800 -0.029 0.000 1.118 11 F CA -0.763 57.227 58.000 -0.016 0.000 1.287 11 F CB 0.966 40.009 39.000 0.072 0.000 1.132 11 F HN 0.428 nan 8.300 nan 0.000 0.587 12 P HA 0.055 nan 4.420 nan 0.000 0.262 12 P C 1.207 178.150 177.300 -0.596 0.000 1.304 12 P CA 0.588 62.876 63.100 -1.353 0.000 0.859 12 P CB 0.219 31.176 31.700 -1.238 0.000 1.310 13 L N -1.074 119.869 121.223 -0.467 0.000 2.095 13 L HA 0.072 4.413 4.340 0.002 0.000 0.204 13 L C 0.888 177.614 176.870 -0.240 0.000 1.080 13 L CA 1.054 55.666 54.840 -0.379 0.000 0.759 13 L CB -0.158 41.633 42.059 -0.447 0.000 0.914 13 L HN 0.047 nan 8.230 nan 0.000 0.439 14 L N -0.140 120.971 121.223 -0.187 0.000 2.543 14 L HA 0.412 4.754 4.340 0.002 0.000 0.265 14 L C -0.882 175.929 176.870 -0.099 0.000 0.945 14 L CA -0.274 54.474 54.840 -0.153 0.000 0.869 14 L CB 1.598 43.565 42.059 -0.154 0.000 1.294 14 L HN -0.068 nan 8.230 nan 0.000 0.405 15 K N 1.791 122.130 120.400 -0.101 0.000 2.535 15 K HA 0.620 4.941 4.320 0.002 0.000 0.251 15 K C -0.280 176.225 176.600 -0.158 0.000 0.942 15 K CA 0.272 56.543 56.287 -0.027 0.000 0.798 15 K CB 1.933 34.544 32.500 0.185 0.000 1.267 15 K HN 0.693 nan 8.250 nan 0.000 0.434 16 T N -0.645 113.861 114.554 -0.080 0.000 2.975 16 T HA 0.418 4.769 4.350 0.002 0.000 0.261 16 T C 0.606 175.338 174.700 0.053 0.000 0.984 16 T CA 0.366 62.417 62.100 -0.082 0.000 0.911 16 T CB 0.688 69.559 68.868 0.005 0.000 1.127 16 T HN 0.634 nan 8.240 nan 0.000 0.514 17 G N -0.181 108.663 108.800 0.073 0.000 2.494 17 G HA2 0.474 4.435 3.960 0.002 0.000 0.308 17 G HA3 0.474 4.435 3.960 0.002 0.000 0.308 17 G C 0.739 175.683 174.900 0.074 0.000 1.263 17 G CA -0.004 45.149 45.100 0.089 0.000 0.840 17 G HN 0.195 nan 8.290 nan 0.000 0.479 18 G N -0.255 108.568 108.800 0.039 0.000 2.450 18 G HA2 -0.104 3.857 3.960 0.002 0.000 0.220 18 G HA3 -0.104 3.857 3.960 0.002 0.000 0.220 18 G C 1.747 176.678 174.900 0.052 0.000 1.130 18 G CA 1.168 46.292 45.100 0.040 0.000 0.760 18 G HN 0.520 nan 8.290 nan 0.000 0.557 19 L N 0.504 121.719 121.223 -0.014 0.000 2.013 19 L HA -0.182 4.159 4.340 0.002 0.000 0.212 19 L C 3.237 180.040 176.870 -0.112 0.000 1.073 19 L CA 1.856 56.600 54.840 -0.159 0.000 0.753 19 L CB -0.448 41.447 42.059 -0.273 0.000 0.890 19 L HN 0.346 nan 8.230 nan 0.000 0.432 20 A N -0.308 122.494 122.820 -0.030 0.000 1.908 20 A HA -0.273 4.048 4.320 0.002 0.000 0.218 20 A C 1.800 179.439 177.584 0.092 0.000 1.181 20 A CA 2.054 54.108 52.037 0.028 0.000 0.627 20 A CB -0.669 18.396 19.000 0.107 0.000 0.818 20 A HN 0.511 nan 8.150 nan 0.000 0.445 21 D N -0.194 120.276 120.400 0.116 0.000 2.104 21 D HA -0.123 4.519 4.640 0.002 0.000 0.194 21 D C 2.091 178.440 176.300 0.082 0.000 0.994 21 D CA 1.541 55.615 54.000 0.124 0.000 0.830 21 D CB -0.629 40.273 40.800 0.170 0.000 0.959 21 D HN 0.228 nan 8.370 nan 0.000 0.452 22 V N 1.462 121.414 119.914 0.063 0.000 2.255 22 V HA -0.223 3.898 4.120 0.002 0.000 0.247 22 V C 2.375 178.219 176.094 -0.417 0.000 1.051 22 V CA 1.114 63.342 62.300 -0.121 0.000 1.018 22 V CB -0.293 31.584 31.823 0.089 0.000 0.641 22 V HN 0.192 nan 8.190 nan 0.000 0.445 23 I N 1.073 121.452 120.570 -0.317 0.000 2.676 23 I HA -0.072 4.099 4.170 0.002 0.000 0.259 23 I C 2.461 178.418 176.117 -0.267 0.000 1.194 23 I CA 1.680 62.744 61.300 -0.393 0.000 1.473 23 I CB -1.784 36.007 38.000 -0.348 0.000 1.096 23 I HN 0.402 nan 8.210 nan 0.000 0.443 24 G N 0.021 108.743 108.800 -0.131 0.000 2.572 24 G HA2 0.092 4.053 3.960 0.002 0.000 0.216 24 G HA3 0.092 4.053 3.960 0.002 0.000 0.216 24 G C 1.569 176.432 174.900 -0.062 0.000 1.133 24 G CA 0.826 45.927 45.100 0.002 0.000 0.791 24 G HN 0.476 nan 8.290 nan 0.000 0.538 25 A N -0.506 122.150 122.820 -0.274 0.000 2.066 25 A HA 0.446 4.767 4.320 0.002 0.000 0.198 25 A C 1.984 179.193 177.584 -0.626 0.000 1.405 25 A CA 0.076 51.883 52.037 -0.383 0.000 0.973 25 A CB -0.190 18.573 19.000 -0.395 0.000 1.026 25 A HN 0.204 nan 8.150 nan 0.000 0.474 26 L N 0.500 121.149 121.223 -0.956 0.000 1.989 26 L HA -0.084 4.257 4.340 0.002 0.000 0.211 26 L C -0.812 175.894 176.870 -0.274 0.000 1.071 26 L CA 2.092 56.481 54.840 -0.752 0.000 0.749 26 L CB -0.965 40.618 42.059 -0.795 0.000 0.890 26 L HN 0.190 nan 8.230 nan 0.000 0.431 27 P HA -0.178 nan 4.420 nan 0.000 0.216 27 P C 1.410 178.728 177.300 0.030 0.000 1.153 27 P CA 1.959 65.036 63.100 -0.038 0.000 0.858 27 P CB -0.093 31.581 31.700 -0.043 0.000 0.789 28 A N -0.205 122.610 122.820 -0.007 0.000 1.933 28 A HA -0.095 4.226 4.320 0.002 0.000 0.218 28 A C 2.314 179.944 177.584 0.078 0.000 1.175 28 A CA 2.035 54.095 52.037 0.038 0.000 0.628 28 A CB -1.555 17.461 19.000 0.026 0.000 0.814 28 A HN 0.200 nan 8.150 nan 0.000 0.444 29 A N -0.625 122.246 122.820 0.084 0.000 1.898 29 A HA -0.190 4.132 4.320 0.002 0.000 0.216 29 A C 2.115 179.809 177.584 0.182 0.000 1.181 29 A CA 1.585 53.719 52.037 0.161 0.000 0.620 29 A CB -0.554 18.596 19.000 0.250 0.000 0.819 29 A HN 0.646 nan 8.150 nan 0.000 0.442 30 Q N -0.505 119.409 119.800 0.191 0.000 2.084 30 Q HA -0.124 4.218 4.340 0.002 0.000 0.202 30 Q C 1.997 178.122 176.000 0.208 0.000 0.978 30 Q CA 1.572 57.520 55.803 0.242 0.000 0.844 30 Q CB -0.373 28.550 28.738 0.308 0.000 0.898 30 Q HN 0.735 nan 8.270 nan 0.000 0.426 31 I N 0.688 121.360 120.570 0.171 0.000 2.264 31 I HA -0.289 3.882 4.170 0.002 0.000 0.248 31 I C 2.304 178.501 176.117 0.133 0.000 1.111 31 I CA 1.063 62.453 61.300 0.149 0.000 1.382 31 I CB -0.298 37.775 38.000 0.120 0.000 1.060 31 I HN 0.166 nan 8.210 nan 0.000 0.418 32 A N -0.286 122.610 122.820 0.126 0.000 2.014 32 A HA -0.220 4.101 4.320 0.002 0.000 0.218 32 A C 1.849 179.504 177.584 0.118 0.000 1.163 32 A CA 1.769 53.871 52.037 0.109 0.000 0.652 32 A CB -0.455 18.606 19.000 0.102 0.000 0.808 32 A HN 0.445 nan 8.150 nan 0.000 0.449 33 D N -1.901 118.586 120.400 0.145 0.000 2.328 33 D HA 0.299 4.941 4.640 0.002 0.000 0.221 33 D C 1.050 177.447 176.300 0.161 0.000 1.072 33 D CA 0.952 55.040 54.000 0.147 0.000 0.850 33 D CB -0.134 40.767 40.800 0.168 0.000 0.922 33 D HN 0.475 nan 8.370 nan 0.000 0.516 34 G N -0.301 108.597 108.800 0.164 0.000 2.134 34 G HA2 -0.204 3.757 3.960 0.002 0.000 0.209 34 G HA3 -0.204 3.757 3.960 0.002 0.000 0.209 34 G C 0.011 175.043 174.900 0.219 0.000 0.993 34 G CA 0.129 45.332 45.100 0.171 0.000 0.669 34 G HN 0.274 nan 8.290 nan 0.000 0.519 35 V N 0.929 120.988 119.914 0.241 0.000 2.435 35 V HA 0.504 4.625 4.120 0.002 0.000 0.290 35 V C -0.014 176.218 176.094 0.231 0.000 1.030 35 V CA -0.534 61.922 62.300 0.259 0.000 0.881 35 V CB 1.848 33.877 31.823 0.342 0.000 0.983 35 V HN 0.305 nan 8.190 nan 0.000 0.445 36 D N 4.485 125.021 120.400 0.226 0.000 2.435 36 D HA 0.402 5.043 4.640 0.002 0.000 0.230 36 D C 0.142 176.629 176.300 0.312 0.000 1.215 36 D CA 0.032 54.191 54.000 0.265 0.000 0.947 36 D CB 0.734 41.731 40.800 0.328 0.000 1.048 36 D HN 0.700 nan 8.370 nan 0.000 0.512 37 A N 4.435 127.403 122.820 0.246 0.000 2.274 37 A HA 0.695 5.016 4.320 0.002 0.000 0.309 37 A C 0.199 177.888 177.584 0.174 0.000 1.226 37 A CA -0.632 51.555 52.037 0.249 0.000 0.853 37 A CB 0.648 19.825 19.000 0.295 0.000 1.146 37 A HN 0.559 nan 8.150 nan 0.000 0.518 38 R N 0.699 121.291 120.500 0.154 0.000 2.892 38 R HA 0.723 5.064 4.340 0.002 0.000 0.265 38 R C -1.226 175.185 176.300 0.184 0.000 1.025 38 R CA -0.569 55.556 56.100 0.042 0.000 0.982 38 R CB 2.353 32.477 30.300 -0.292 0.000 1.185 38 R HN 0.488 nan 8.270 nan 0.000 0.484 39 V N 2.277 122.279 119.914 0.146 0.000 2.604 39 V HA 0.458 4.579 4.120 0.002 0.000 0.305 39 V C -1.176 175.036 176.094 0.197 0.000 1.043 39 V CA -0.891 61.506 62.300 0.161 0.000 0.888 39 V CB 1.801 33.651 31.823 0.045 0.000 0.995 39 V HN 0.465 nan 8.190 nan 0.000 0.429 40 L N 5.896 127.227 121.223 0.179 0.000 2.325 40 L HA 0.749 5.090 4.340 0.002 0.000 0.281 40 L C -1.035 175.865 176.870 0.049 0.000 1.004 40 L CA 0.189 55.114 54.840 0.142 0.000 0.823 40 L CB 1.077 43.200 42.059 0.107 0.000 1.236 40 L HN 0.586 nan 8.230 nan 0.000 0.415 41 L N 5.958 127.164 121.223 -0.028 0.000 2.371 41 L HA 0.679 5.021 4.340 0.002 0.000 0.262 41 L C -2.301 174.378 176.870 -0.319 0.000 1.006 41 L CA -1.961 52.795 54.840 -0.140 0.000 0.818 41 L CB 2.396 44.369 42.059 -0.144 0.000 1.354 41 L HN 0.449 nan 8.230 nan 0.000 0.415 42 P HA 0.052 nan 4.420 nan 0.000 0.269 42 P C -0.699 175.991 177.300 -1.018 0.000 1.209 42 P CA -0.296 62.055 63.100 -1.250 0.000 0.776 42 P CB 0.670 30.926 31.700 -2.407 0.000 0.876 43 A N 3.946 126.340 122.820 -0.709 0.000 3.051 43 A HA 0.205 4.527 4.320 0.002 0.000 0.257 43 A C 0.010 177.391 177.584 -0.338 0.000 1.785 43 A CA -0.330 51.482 52.037 -0.376 0.000 1.420 43 A CB -1.781 17.125 19.000 -0.158 0.000 1.063 43 A HN 0.433 nan 8.150 nan 0.000 0.630 44 F N 0.242 120.056 119.950 -0.228 0.000 2.553 44 F HA 0.127 4.655 4.527 0.002 0.000 0.356 44 F C -0.968 174.753 175.800 -0.131 0.000 1.142 44 F CA -1.499 56.398 58.000 -0.171 0.000 1.322 44 F CB 0.327 39.196 39.000 -0.218 0.000 1.126 44 F HN 0.298 nan 8.300 nan 0.000 0.599 45 P HA -0.187 nan 4.420 nan 0.000 0.215 45 P C 0.944 178.231 177.300 -0.020 0.000 1.157 45 P CA 1.514 64.624 63.100 0.017 0.000 0.874 45 P CB 0.151 31.859 31.700 0.012 0.000 0.790 46 D N -1.122 119.259 120.400 -0.032 0.000 2.178 46 D HA -0.090 4.551 4.640 0.002 0.000 0.201 46 D C 1.970 178.204 176.300 -0.110 0.000 0.980 46 D CA 0.867 54.821 54.000 -0.078 0.000 0.842 46 D CB -0.539 40.199 40.800 -0.103 0.000 0.948 46 D HN 0.214 nan 8.370 nan 0.000 0.472 47 I N 0.370 120.888 120.570 -0.086 0.000 2.193 47 I HA -0.224 3.948 4.170 0.002 0.000 0.240 47 I C 2.483 178.513 176.117 -0.145 0.000 1.084 47 I CA 0.647 61.862 61.300 -0.142 0.000 1.365 47 I CB -0.136 37.794 38.000 -0.117 0.000 1.064 47 I HN -0.089 nan 8.210 nan 0.000 0.410 48 R N 2.200 122.638 120.500 -0.104 0.000 2.091 48 R HA -0.217 4.125 4.340 0.002 0.000 0.238 48 R C 2.316 178.569 176.300 -0.077 0.000 1.136 48 R CA 2.004 58.051 56.100 -0.089 0.000 0.959 48 R CB -0.528 29.733 30.300 -0.064 0.000 0.856 48 R HN 0.452 nan 8.270 nan 0.000 0.437 49 R N -1.368 119.090 120.500 -0.071 0.000 2.148 49 R HA 0.114 4.455 4.340 0.002 0.000 0.223 49 R C 2.173 178.436 176.300 -0.062 0.000 1.088 49 R CA 1.417 57.483 56.100 -0.058 0.000 0.985 49 R CB -0.911 29.359 30.300 -0.049 0.000 0.880 49 R HN 0.281 nan 8.270 nan 0.000 0.451 50 G N 1.078 109.813 108.800 -0.108 0.000 2.421 50 G HA2 -0.046 3.915 3.960 0.002 0.000 0.217 50 G HA3 -0.046 3.915 3.960 0.002 0.000 0.217 50 G C 0.370 175.261 174.900 -0.014 0.000 1.143 50 G CA 0.296 45.328 45.100 -0.114 0.000 0.784 50 G HN 0.152 nan 8.290 nan 0.000 0.541 51 V N 2.597 122.473 119.914 -0.062 0.000 2.267 51 V HA 0.162 4.284 4.120 0.002 0.000 0.254 51 V C 1.513 177.588 176.094 -0.031 0.000 1.144 51 V CA 0.602 62.891 62.300 -0.019 0.000 0.992 51 V CB 0.116 31.875 31.823 -0.107 0.000 1.199 51 V HN 0.429 nan 8.190 nan 0.000 0.493 52 T N -1.160 113.393 114.554 -0.001 0.000 3.113 52 T HA -0.057 4.294 4.350 0.002 0.000 0.256 52 T C 0.934 175.616 174.700 -0.030 0.000 1.131 52 T CA 0.700 62.789 62.100 -0.018 0.000 1.074 52 T CB -0.158 68.703 68.868 -0.011 0.000 0.944 52 T HN 0.682 nan 8.240 nan 0.000 0.516 53 D N 1.086 121.462 120.400 -0.039 0.000 2.424 53 D HA 0.347 4.988 4.640 0.002 0.000 0.220 53 D C 0.490 176.755 176.300 -0.058 0.000 1.150 53 D CA -0.546 53.432 54.000 -0.036 0.000 0.831 53 D CB -0.311 40.480 40.800 -0.016 0.000 0.981 53 D HN 0.480 nan 8.370 nan 0.000 0.500 54 A N 0.720 123.489 122.820 -0.084 0.000 2.520 54 A HA 0.286 4.607 4.320 0.002 0.000 0.245 54 A C 0.353 177.913 177.584 -0.041 0.000 1.072 54 A CA 0.047 52.020 52.037 -0.106 0.000 0.761 54 A CB 0.339 19.277 19.000 -0.103 0.000 1.004 54 A HN 0.231 nan 8.150 nan 0.000 0.499 55 Q N 1.350 121.145 119.800 -0.009 0.000 2.433 55 Q HA 0.451 4.793 4.340 0.002 0.000 0.279 55 Q C -0.892 175.150 176.000 0.071 0.000 1.105 55 Q CA -1.057 54.768 55.803 0.035 0.000 0.815 55 Q CB 1.937 30.707 28.738 0.054 0.000 1.403 55 Q HN 0.464 nan 8.270 nan 0.000 0.435 56 V N 1.934 121.888 119.914 0.067 0.000 2.529 56 V HA -0.026 4.095 4.120 0.002 0.000 0.292 56 V C 1.030 177.196 176.094 0.121 0.000 1.028 56 V CA 0.393 62.743 62.300 0.084 0.000 1.074 56 V CB 0.752 32.612 31.823 0.061 0.000 0.958 56 V HN 0.672 nan 8.190 nan 0.000 0.481 57 V N 3.597 123.602 119.914 0.151 0.000 2.521 57 V HA 0.152 4.273 4.120 0.002 0.000 0.239 57 V C 0.749 176.926 176.094 0.139 0.000 1.053 57 V CA 1.344 63.752 62.300 0.181 0.000 1.073 57 V CB 0.646 32.614 31.823 0.242 0.000 0.746 57 V HN 0.966 nan 8.190 nan 0.000 0.476 58 S N -0.774 114.995 115.700 0.116 0.000 2.588 58 S HA 0.651 5.122 4.470 0.002 0.000 0.269 58 S C -1.066 173.581 174.600 0.079 0.000 1.157 58 S CA -0.938 57.313 58.200 0.086 0.000 0.824 58 S CB 2.571 65.814 63.200 0.073 0.000 1.126 58 S HN 0.240 nan 8.310 nan 0.000 0.464 59 R N 0.370 120.909 120.500 0.065 0.000 2.562 59 R HA 0.688 5.029 4.340 0.002 0.000 0.298 59 R C -0.864 175.489 176.300 0.089 0.000 0.961 59 R CA -0.844 55.296 56.100 0.066 0.000 0.881 59 R CB 1.361 31.677 30.300 0.027 0.000 1.159 59 R HN 0.531 nan 8.270 nan 0.000 0.450 60 R N 1.135 121.707 120.500 0.121 0.000 2.771 60 R HA 0.253 4.594 4.340 0.002 0.000 0.274 60 R C -1.032 175.344 176.300 0.126 0.000 0.987 60 R CA -1.011 55.167 56.100 0.131 0.000 0.908 60 R CB 1.818 32.221 30.300 0.173 0.000 1.213 60 R HN 0.583 nan 8.270 nan 0.000 0.468 61 D N -0.087 120.347 120.400 0.057 0.000 2.348 61 D HA 0.495 5.136 4.640 0.002 0.000 0.249 61 D C -0.723 175.354 176.300 -0.371 0.000 1.110 61 D CA 0.443 54.302 54.000 -0.235 0.000 0.967 61 D CB 1.189 41.860 40.800 -0.216 0.000 1.139 61 D HN 0.292 nan 8.370 nan 0.000 0.466 62 T N 1.101 115.322 114.554 -0.554 0.000 2.885 62 T HA 0.148 4.500 4.350 0.002 0.000 0.322 62 T C 0.635 174.939 174.700 -0.659 0.000 1.387 62 T CA -0.586 61.002 62.100 -0.854 0.000 1.041 62 T CB 0.506 68.778 68.868 -0.992 0.000 1.287 62 T HN 0.331 nan 8.240 nan 0.000 0.491 63 F N 0.567 120.228 119.950 -0.482 0.000 2.287 63 F HA 0.116 4.645 4.527 0.003 0.000 0.301 63 F C 1.775 177.439 175.800 -0.226 0.000 1.069 63 F CA 1.177 59.004 58.000 -0.289 0.000 1.372 63 F CB -0.471 38.389 39.000 -0.234 0.000 1.056 63 F HN 0.481 nan 8.300 nan 0.000 0.523 64 A N 0.160 122.509 122.820 -0.786 0.000 2.387 64 A HA 0.623 4.944 4.320 0.002 0.000 0.234 64 A C 1.217 178.672 177.584 -0.216 0.000 1.253 64 A CA 0.398 52.208 52.037 -0.378 0.000 0.894 64 A CB -0.999 17.707 19.000 -0.490 0.000 0.963 64 A HN 1.070 nan 8.150 nan 0.000 0.508 65 G N -1.100 107.499 108.800 -0.336 0.000 2.483 65 G HA2 -0.036 3.925 3.960 0.002 0.000 0.521 65 G HA3 -0.036 3.925 3.960 0.002 0.000 0.521 65 G C -0.728 173.958 174.900 -0.357 0.000 1.278 65 G CA -0.551 44.350 45.100 -0.331 0.000 0.965 65 G HN 0.596 nan 8.290 nan 0.000 0.504 66 H N -0.466 118.532 119.070 -0.119 0.000 2.629 66 H HA 0.607 5.164 4.556 0.002 0.000 0.357 66 H C 1.075 176.387 175.328 -0.027 0.000 1.121 66 H CA 0.664 56.661 56.048 -0.086 0.000 1.406 66 H CB 1.012 30.728 29.762 -0.077 0.000 1.456 66 H HN 0.743 nan 8.280 nan 0.000 0.579 67 I N -1.243 119.382 120.570 0.091 0.000 2.740 67 I HA 0.525 4.696 4.170 0.002 0.000 0.303 67 I C -0.799 175.368 176.117 0.084 0.000 1.044 67 I CA -0.846 60.495 61.300 0.069 0.000 1.064 67 I CB 2.495 40.524 38.000 0.047 0.000 1.249 67 I HN 0.341 nan 8.210 nan 0.000 0.433 68 T N 6.143 120.738 114.554 0.069 0.000 2.756 68 T HA 0.415 4.766 4.350 0.002 0.000 0.290 68 T C -0.392 174.355 174.700 0.079 0.000 0.985 68 T CA -0.277 61.862 62.100 0.065 0.000 0.955 68 T CB 0.998 69.892 68.868 0.044 0.000 0.930 68 T HN 0.497 nan 8.240 nan 0.000 0.451 69 L N 5.780 127.063 121.223 0.100 0.000 2.361 69 L HA 0.454 4.795 4.340 0.002 0.000 0.278 69 L C -0.819 176.144 176.870 0.154 0.000 1.113 69 L CA 0.054 54.973 54.840 0.132 0.000 0.849 69 L CB -0.092 42.053 42.059 0.142 0.000 1.155 69 L HN 0.551 nan 8.230 nan 0.000 0.452 70 L N 5.345 126.655 121.223 0.145 0.000 2.334 70 L HA 0.548 4.889 4.340 0.002 0.000 0.272 70 L C -0.852 176.119 176.870 0.168 0.000 1.020 70 L CA -0.658 54.254 54.840 0.119 0.000 0.812 70 L CB 1.613 43.691 42.059 0.032 0.000 1.264 70 L HN 0.576 nan 8.230 nan 0.000 0.439 71 F N 0.414 120.312 119.950 -0.087 0.000 2.561 71 F HA 0.768 5.297 4.527 0.002 0.000 0.313 71 F C -0.110 175.515 175.800 -0.292 0.000 1.126 71 F CA -0.157 57.662 58.000 -0.301 0.000 0.918 71 F CB 1.851 40.590 39.000 -0.435 0.000 1.199 71 F HN 0.458 nan 8.300 nan 0.000 0.444 72 G N 3.044 111.119 108.800 -1.207 0.000 2.976 72 G HA2 0.538 4.499 3.960 0.002 0.000 0.276 72 G HA3 0.538 4.499 3.960 0.002 0.000 0.276 72 G C -2.108 171.956 174.900 -1.393 0.000 1.207 72 G CA -0.721 43.788 45.100 -0.985 0.000 0.803 72 G HN 0.672 nan 8.290 nan 0.000 0.572 73 H N -1.789 116.987 119.070 -0.489 0.000 2.806 73 H HA 0.589 5.147 4.556 0.002 0.000 0.367 73 H C -1.979 173.261 175.328 -0.146 0.000 1.136 73 H CA -0.343 55.496 56.048 -0.349 0.000 1.178 73 H CB 2.470 32.067 29.762 -0.274 0.000 1.718 73 H HN 0.500 nan 8.280 nan 0.000 0.540 74 Y N 2.195 122.422 120.300 -0.122 0.000 2.346 74 Y HA 0.239 4.790 4.550 0.002 0.000 0.332 74 Y C -0.244 175.616 175.900 -0.067 0.000 0.985 74 Y CA -0.968 57.071 58.100 -0.101 0.000 1.112 74 Y CB 0.913 39.295 38.460 -0.130 0.000 1.170 74 Y HN 0.782 nan 8.280 nan 0.000 0.447 75 N N 3.984 122.336 118.700 -0.580 0.000 2.735 75 N HA -0.201 4.541 4.740 0.002 0.000 0.248 75 N C 0.929 176.358 175.510 -0.135 0.000 1.083 75 N CA 1.675 54.528 53.050 -0.327 0.000 0.703 75 N CB -1.152 37.222 38.487 -0.189 0.000 1.005 75 N HN 1.348 nan 8.380 nan 0.000 0.550 76 G N -2.254 106.476 108.800 -0.117 0.000 2.189 76 G HA2 -0.297 3.664 3.960 0.002 0.000 0.267 76 G HA3 -0.297 3.664 3.960 0.002 0.000 0.267 76 G C 0.181 175.098 174.900 0.029 0.000 0.975 76 G CA 0.996 46.064 45.100 -0.053 0.000 0.644 76 G HN 1.272 nan 8.290 nan 0.000 0.537 77 V N 0.107 120.039 119.914 0.030 0.000 2.612 77 V HA 0.877 4.998 4.120 0.002 0.000 0.301 77 V C 0.823 176.895 176.094 -0.037 0.000 1.046 77 V CA 0.152 62.473 62.300 0.035 0.000 0.946 77 V CB 1.639 33.475 31.823 0.022 0.000 1.003 77 V HN 1.272 nan 8.190 nan 0.000 0.459 78 G N 6.251 115.009 108.800 -0.071 0.000 2.354 78 G HA2 0.492 4.454 3.960 0.002 0.000 0.266 78 G HA3 0.492 4.454 3.960 0.002 0.000 0.266 78 G C -0.458 174.223 174.900 -0.364 0.000 1.242 78 G CA -0.378 44.517 45.100 -0.342 0.000 0.923 78 G HN 0.674 nan 8.290 nan 0.000 0.476 79 I N 2.900 123.055 120.570 -0.692 0.000 2.410 79 I HA 0.240 4.411 4.170 0.002 0.000 0.286 79 I C -0.799 175.071 176.117 -0.412 0.000 1.009 79 I CA -1.250 59.817 61.300 -0.388 0.000 1.111 79 I CB 1.229 39.052 38.000 -0.296 0.000 1.262 79 I HN 0.377 nan 8.210 nan 0.000 0.443 80 Y N 5.898 126.175 120.300 -0.038 0.000 2.304 80 Y HA 0.498 5.049 4.550 0.002 0.000 0.328 80 Y C 0.267 176.134 175.900 -0.056 0.000 1.123 80 Y CA -0.310 57.808 58.100 0.030 0.000 1.218 80 Y CB 1.302 39.811 38.460 0.081 0.000 1.207 80 Y HN 0.333 nan 8.280 nan 0.000 0.495 81 L N 4.937 126.219 121.223 0.097 0.000 2.362 81 L HA 0.492 4.833 4.340 0.002 0.000 0.275 81 L C -0.764 176.106 176.870 0.000 0.000 0.998 81 L CA -0.740 54.087 54.840 -0.023 0.000 0.820 81 L CB 1.794 43.807 42.059 -0.077 0.000 1.270 81 L HN 0.549 nan 8.230 nan 0.000 0.415 82 I N 2.297 122.824 120.570 -0.071 0.000 2.269 82 I HA 0.083 4.254 4.170 0.002 0.000 0.293 82 I C -0.190 175.939 176.117 0.020 0.000 1.106 82 I CA -0.118 61.182 61.300 -0.000 0.000 1.248 82 I CB 0.561 38.577 38.000 0.025 0.000 1.444 82 I HN 0.509 nan 8.210 nan 0.000 0.497 83 D N 6.630 127.052 120.400 0.035 0.000 2.365 83 D HA 0.474 5.115 4.640 0.002 0.000 0.237 83 D C -0.288 176.041 176.300 0.047 0.000 1.190 83 D CA -0.093 53.928 54.000 0.035 0.000 0.867 83 D CB 1.006 41.815 40.800 0.016 0.000 1.050 83 D HN 0.598 nan 8.370 nan 0.000 0.491 84 A N 5.093 127.933 122.820 0.034 0.000 2.984 84 A HA 0.421 4.742 4.320 0.002 0.000 0.320 84 A C -1.983 175.470 177.584 -0.219 0.000 1.142 84 A CA -1.026 50.935 52.037 -0.126 0.000 0.772 84 A CB 1.160 19.915 19.000 -0.407 0.000 1.195 84 A HN 0.382 nan 8.150 nan 0.000 0.459 85 P HA -0.238 nan 4.420 nan 0.000 0.216 85 P C 1.347 178.591 177.300 -0.094 0.000 1.150 85 P CA 1.760 64.838 63.100 -0.038 0.000 0.843 85 P CB -0.104 31.608 31.700 0.020 0.000 0.787 86 H N -1.236 117.750 119.070 -0.140 0.000 2.521 86 H HA 0.046 4.603 4.556 0.002 0.000 0.286 86 H C 1.451 176.642 175.328 -0.228 0.000 1.034 86 H CA 0.929 56.888 56.048 -0.149 0.000 1.278 86 H CB -0.950 28.737 29.762 -0.125 0.000 1.386 86 H HN 0.212 nan 8.280 nan 0.000 0.567 87 L N -1.154 119.565 121.223 -0.841 0.000 2.467 87 L HA 0.078 4.420 4.340 0.002 0.000 0.213 87 L C 1.282 177.807 176.870 -0.575 0.000 1.053 87 L CA 0.140 54.476 54.840 -0.839 0.000 0.847 87 L CB 0.110 41.366 42.059 -1.339 0.000 1.075 87 L HN 0.039 nan 8.230 nan 0.000 0.479 88 Y N -1.851 118.282 120.300 -0.279 0.000 2.426 88 Y HA 0.190 4.741 4.550 0.002 0.000 0.249 88 Y C 0.669 176.536 175.900 -0.056 0.000 1.103 88 Y CA -1.140 56.858 58.100 -0.169 0.000 1.256 88 Y CB 0.133 38.382 38.460 -0.350 0.000 1.208 88 Y HN -0.066 nan 8.280 nan 0.000 0.519 89 D N 2.362 122.783 120.400 0.035 0.000 2.619 89 D HA 0.145 4.786 4.640 0.002 0.000 0.224 89 D C -0.285 176.022 176.300 0.012 0.000 1.133 89 D CA 0.088 54.108 54.000 0.033 0.000 1.017 89 D CB -0.140 40.666 40.800 0.011 0.000 1.077 89 D HN 0.170 nan 8.370 nan 0.000 0.503 90 R N 2.397 122.914 120.500 0.028 0.000 2.744 90 R HA 0.509 4.851 4.340 0.002 0.000 0.279 90 R C -2.530 173.797 176.300 0.045 0.000 0.977 90 R CA -1.732 54.380 56.100 0.019 0.000 0.906 90 R CB 1.119 31.386 30.300 -0.055 0.000 1.197 90 R HN 0.134 nan 8.270 nan 0.000 0.463 91 P HA 0.184 nan 4.420 nan 0.000 0.272 91 P C 0.659 177.977 177.300 0.030 0.000 1.240 91 P CA 0.488 63.610 63.100 0.036 0.000 0.791 91 P CB 0.626 32.352 31.700 0.043 0.000 0.978 92 G N 0.320 109.107 108.800 -0.022 0.000 2.509 92 G HA2 -0.225 3.737 3.960 0.002 0.000 0.256 92 G HA3 -0.225 3.737 3.960 0.002 0.000 0.256 92 G C 0.036 174.839 174.900 -0.160 0.000 1.152 92 G CA 0.116 45.184 45.100 -0.053 0.000 0.951 92 G HN 0.804 nan 8.290 nan 0.000 0.559 93 S N 2.324 117.900 115.700 -0.206 0.000 2.564 93 S HA 0.503 4.974 4.470 0.002 0.000 0.278 93 S C -0.210 174.097 174.600 -0.488 0.000 1.333 93 S CA -0.068 57.878 58.200 -0.423 0.000 1.048 93 S CB 1.235 63.976 63.200 -0.766 0.000 0.900 93 S HN 0.548 nan 8.310 nan 0.000 0.505 94 P HA -0.012 nan 4.420 nan 0.000 0.230 94 P C -0.009 176.969 177.300 -0.536 0.000 1.158 94 P CA 1.068 63.441 63.100 -1.210 0.000 0.769 94 P CB -0.067 30.424 31.700 -2.016 0.000 0.807 95 Y N -0.775 119.480 120.300 -0.075 0.000 2.483 95 Y HA 0.176 4.728 4.550 0.002 0.000 0.258 95 Y C 1.674 177.683 175.900 0.182 0.000 1.083 95 Y CA -0.336 57.882 58.100 0.197 0.000 1.283 95 Y CB -0.107 38.427 38.460 0.122 0.000 1.178 95 Y HN 0.137 nan 8.280 nan 0.000 0.515 96 H N -1.515 117.617 119.070 0.104 0.000 3.008 96 H HA 0.397 4.954 4.556 0.002 0.000 0.354 96 H C -1.348 173.646 175.328 -0.556 0.000 1.252 96 H CA -0.965 54.915 56.048 -0.280 0.000 1.117 96 H CB 1.684 31.424 29.762 -0.037 0.000 1.857 96 H HN 0.076 nan 8.280 nan 0.000 0.547 97 D N -0.109 120.030 120.400 -0.436 0.000 2.414 97 D HA -0.003 4.638 4.640 0.002 0.000 0.259 97 D C 1.342 177.716 176.300 0.123 0.000 1.269 97 D CA 0.275 54.172 54.000 -0.171 0.000 1.028 97 D CB 0.120 40.883 40.800 -0.061 0.000 1.093 97 D HN 0.644 nan 8.370 nan 0.000 0.545 98 T N -3.439 111.193 114.554 0.129 0.000 3.072 98 T HA -0.038 4.314 4.350 0.002 0.000 0.266 98 T C 0.763 175.542 174.700 0.132 0.000 1.127 98 T CA 0.597 62.776 62.100 0.133 0.000 1.107 98 T CB -0.801 68.129 68.868 0.104 0.000 0.910 98 T HN 0.484 nan 8.240 nan 0.000 0.513 99 N N 0.848 119.654 118.700 0.175 0.000 2.268 99 N HA 0.331 5.072 4.740 0.002 0.000 0.204 99 N C -0.502 175.110 175.510 0.169 0.000 1.124 99 N CA -0.321 52.871 53.050 0.237 0.000 0.838 99 N CB 0.235 38.941 38.487 0.366 0.000 0.994 99 N HN -0.025 nan 8.380 nan 0.000 0.489 100 L N -0.797 120.437 121.223 0.018 0.000 4.759 100 L HA -0.214 4.128 4.340 0.002 0.000 0.419 100 L C -0.772 175.892 176.870 -0.344 0.000 1.093 100 L CA 0.914 55.550 54.840 -0.339 0.000 1.037 100 L CB -2.597 39.225 42.059 -0.395 0.000 2.095 100 L HN 0.164 nan 8.230 nan 0.000 0.739 101 F N 0.615 120.522 119.950 -0.071 0.000 2.411 101 F HA 0.598 5.126 4.527 0.002 0.000 0.350 101 F C 1.405 177.204 175.800 -0.002 0.000 1.114 101 F CA -0.236 57.752 58.000 -0.021 0.000 1.135 101 F CB 0.773 39.774 39.000 0.001 0.000 1.120 101 F HN 0.140 nan 8.300 nan 0.000 0.495 102 A N 4.597 127.542 122.820 0.207 0.000 2.580 102 A HA -0.044 4.277 4.320 0.002 0.000 0.244 102 A C -0.487 177.244 177.584 0.244 0.000 1.045 102 A CA -0.074 52.111 52.037 0.246 0.000 0.761 102 A CB -0.739 18.413 19.000 0.254 0.000 0.962 102 A HN 0.695 nan 8.150 nan 0.000 0.512 103 Y N 1.518 122.025 120.300 0.345 0.000 2.805 103 Y HA -0.027 4.524 4.550 0.002 0.000 0.337 103 Y C 2.243 178.306 175.900 0.271 0.000 1.252 103 Y CA 1.085 59.348 58.100 0.273 0.000 1.515 103 Y CB 0.464 39.069 38.460 0.242 0.000 1.305 103 Y HN 0.886 nan 8.280 nan 0.000 0.600 104 T N -2.983 111.804 114.554 0.388 0.000 3.055 104 T HA -0.134 4.217 4.350 0.002 0.000 0.265 104 T C 0.674 175.540 174.700 0.277 0.000 1.111 104 T CA 0.937 63.224 62.100 0.312 0.000 1.118 104 T CB -0.193 68.827 68.868 0.253 0.000 0.909 104 T HN 0.703 nan 8.240 nan 0.000 0.501 105 D N 0.370 120.918 120.400 0.247 0.000 2.395 105 D HA 0.138 4.779 4.640 0.002 0.000 0.226 105 D C 1.202 177.597 176.300 0.158 0.000 1.146 105 D CA -0.371 53.717 54.000 0.147 0.000 0.830 105 D CB -0.655 40.186 40.800 0.069 0.000 0.958 105 D HN 0.093 nan 8.370 nan 0.000 0.501 106 N N 0.500 119.399 118.700 0.331 0.000 2.137 106 N HA -0.163 4.578 4.740 0.002 0.000 0.190 106 N C 1.794 177.461 175.510 0.262 0.000 1.017 106 N CA 0.654 54.002 53.050 0.496 0.000 0.859 106 N CB -0.319 38.681 38.487 0.854 0.000 1.002 106 N HN 0.210 nan 8.380 nan 0.000 0.428 107 V N 0.153 119.939 119.914 -0.212 0.000 2.392 107 V HA -0.183 3.938 4.120 0.002 0.000 0.249 107 V C 1.851 177.895 176.094 -0.084 0.000 1.059 107 V CA 1.380 63.185 62.300 -0.824 0.000 1.051 107 V CB -0.190 30.994 31.823 -1.065 0.000 0.658 107 V HN 0.147 nan 8.190 nan 0.000 0.455 108 L N -0.314 120.914 121.223 0.009 0.000 2.127 108 L HA 0.069 4.410 4.340 0.002 0.000 0.203 108 L C 2.574 179.509 176.870 0.108 0.000 1.080 108 L CA 1.668 56.596 54.840 0.147 0.000 0.768 108 L CB -1.115 40.986 42.059 0.070 0.000 0.924 108 L HN 0.263 nan 8.230 nan 0.000 0.444 109 R N -1.290 119.202 120.500 -0.012 0.000 2.091 109 R HA -0.172 4.169 4.340 0.002 0.000 0.238 109 R C 2.167 178.428 176.300 -0.066 0.000 1.136 109 R CA 1.790 57.791 56.100 -0.165 0.000 0.959 109 R CB -0.437 29.688 30.300 -0.292 0.000 0.856 109 R HN 0.248 nan 8.270 nan 0.000 0.437 110 F N -0.291 119.933 119.950 0.456 0.000 2.446 110 F HA 0.181 4.709 4.527 0.002 0.000 0.292 110 F C 2.505 178.721 175.800 0.693 0.000 1.096 110 F CA 0.313 58.660 58.000 0.577 0.000 1.438 110 F CB -0.263 39.108 39.000 0.618 0.000 1.107 110 F HN 0.005 nan 8.300 nan 0.000 0.546 111 A N 0.486 123.820 122.820 0.856 0.000 1.948 111 A HA -0.238 4.083 4.320 0.002 0.000 0.220 111 A C 2.095 180.100 177.584 0.702 0.000 1.177 111 A CA 1.874 54.306 52.037 0.658 0.000 0.636 111 A CB -1.013 18.300 19.000 0.522 0.000 0.815 111 A HN 0.386 nan 8.150 nan 0.000 0.449 112 L N -0.662 120.868 121.223 0.511 0.000 2.093 112 L HA -0.050 4.292 4.340 0.002 0.000 0.208 112 L C 2.225 179.286 176.870 0.318 0.000 1.085 112 L CA 1.501 56.493 54.840 0.253 0.000 0.755 112 L CB -0.417 41.610 42.059 -0.054 0.000 0.904 112 L HN 0.443 nan 8.230 nan 0.000 0.435 113 L N -0.645 120.788 121.223 0.351 0.000 1.971 113 L HA -0.227 4.115 4.340 0.002 0.000 0.215 113 L C 2.353 179.414 176.870 0.319 0.000 1.072 113 L CA 1.978 56.999 54.840 0.302 0.000 0.758 113 L CB -1.116 41.175 42.059 0.387 0.000 0.889 113 L HN 0.500 nan 8.230 nan 0.000 0.433 114 G N -1.369 107.682 108.800 0.418 0.000 2.422 114 G HA2 -0.353 3.608 3.960 0.002 0.000 0.218 114 G HA3 -0.353 3.608 3.960 0.002 0.000 0.218 114 G C 1.221 176.328 174.900 0.344 0.000 1.146 114 G CA 0.685 46.032 45.100 0.412 0.000 0.769 114 G HN 0.633 nan 8.290 nan 0.000 0.547 115 W N 0.996 122.307 121.300 0.017 0.000 2.358 115 W HA -0.106 4.555 4.660 0.001 0.000 0.303 115 W C 2.434 178.843 176.519 -0.183 0.000 1.208 115 W CA 1.821 58.898 57.345 -0.447 0.000 1.274 115 W CB -0.209 28.949 29.460 -0.503 0.000 1.138 115 W HN 0.033 nan 8.180 nan 0.000 0.515 116 V N 1.142 121.144 119.914 0.146 0.000 2.358 116 V HA -0.204 3.917 4.120 0.002 0.000 0.246 116 V C 2.485 178.493 176.094 -0.144 0.000 1.047 116 V CA 1.998 64.278 62.300 -0.032 0.000 1.035 116 V CB -1.739 30.157 31.823 0.122 0.000 0.658 116 V HN 0.423 nan 8.190 nan 0.000 0.452 117 G N -0.130 108.656 108.800 -0.025 0.000 2.440 117 G HA2 -0.254 3.707 3.960 0.002 0.000 0.218 117 G HA3 -0.254 3.707 3.960 0.002 0.000 0.218 117 G C 1.768 176.614 174.900 -0.090 0.000 1.154 117 G CA 1.210 46.300 45.100 -0.017 0.000 0.767 117 G HN 0.612 nan 8.290 nan 0.000 0.552 118 A N 0.470 123.217 122.820 -0.122 0.000 1.873 118 A HA 0.004 4.325 4.320 0.002 0.000 0.215 118 A C 2.237 179.626 177.584 -0.324 0.000 1.186 118 A CA 1.893 53.827 52.037 -0.173 0.000 0.616 118 A CB -0.346 18.585 19.000 -0.115 0.000 0.823 118 A HN 0.265 nan 8.150 nan 0.000 0.442 119 E N -0.488 119.368 120.200 -0.574 0.000 2.204 119 E HA -0.154 4.197 4.350 0.002 0.000 0.195 119 E C 1.985 178.369 176.600 -0.361 0.000 0.990 119 E CA 0.810 56.842 56.400 -0.612 0.000 0.821 119 E CB -0.357 28.766 29.700 -0.961 0.000 0.750 119 E HN 0.494 nan 8.360 nan 0.000 0.477 120 M N 0.035 119.458 119.600 -0.295 0.000 2.149 120 M HA -0.125 4.357 4.480 0.002 0.000 0.261 120 M C 2.203 178.391 176.300 -0.186 0.000 1.064 120 M CA 1.159 56.327 55.300 -0.220 0.000 1.102 120 M CB -1.070 31.408 32.600 -0.204 0.000 1.369 120 M HN 0.020 nan 8.290 nan 0.000 0.408 121 A N -1.084 121.624 122.820 -0.186 0.000 2.125 121 A HA -0.042 4.279 4.320 0.002 0.000 0.219 121 A C 2.143 179.626 177.584 -0.169 0.000 1.156 121 A CA 1.508 53.439 52.037 -0.175 0.000 0.671 121 A CB -0.452 18.462 19.000 -0.144 0.000 0.794 121 A HN 0.475 nan 8.150 nan 0.000 0.459 122 S N -1.674 113.918 115.700 -0.180 0.000 2.572 122 S HA 0.415 4.886 4.470 0.002 0.000 0.228 122 S C 1.096 175.611 174.600 -0.141 0.000 0.963 122 S CA 0.532 58.639 58.200 -0.154 0.000 0.939 122 S CB 0.333 63.436 63.200 -0.162 0.000 0.804 122 S HN 1.541 nan 8.310 nan 0.000 0.480 123 G N 1.402 110.113 108.800 -0.147 0.000 2.131 123 G HA2 -0.204 3.757 3.960 0.002 0.000 0.201 123 G HA3 -0.204 3.757 3.960 0.002 0.000 0.201 123 G C 0.605 175.436 174.900 -0.116 0.000 1.000 123 G CA 0.207 45.230 45.100 -0.129 0.000 0.680 123 G HN 0.454 nan 8.290 nan 0.000 0.514 124 L N -0.092 121.053 121.223 -0.129 0.000 2.043 124 L HA -0.029 4.312 4.340 0.002 0.000 0.212 124 L C 1.063 177.902 176.870 -0.051 0.000 1.075 124 L CA 2.202 56.982 54.840 -0.100 0.000 0.752 124 L CB -0.003 41.969 42.059 -0.145 0.000 0.891 124 L HN 0.398 nan 8.230 nan 0.000 0.432 125 D N -0.986 119.391 120.400 -0.038 0.000 2.373 125 D HA 0.156 4.798 4.640 0.002 0.000 0.227 125 D C -1.787 174.485 176.300 -0.046 0.000 1.091 125 D CA -2.391 51.636 54.000 0.045 0.000 0.840 125 D CB 1.621 42.531 40.800 0.182 0.000 1.060 125 D HN -0.045 nan 8.370 nan 0.000 0.502 126 P HA -0.025 nan 4.420 nan 0.000 0.223 126 P C 0.486 177.437 177.300 -0.581 0.000 1.144 126 P CA 0.915 63.719 63.100 -0.493 0.000 0.783 126 P CB 0.019 31.222 31.700 -0.828 0.000 0.771 127 F N -4.578 115.405 119.950 0.056 0.000 2.678 127 F HA 0.345 4.873 4.527 0.002 0.000 0.305 127 F C 0.402 176.302 175.800 0.165 0.000 1.090 127 F CA -0.444 57.598 58.000 0.071 0.000 1.272 127 F CB 0.262 39.285 39.000 0.039 0.000 1.060 127 F HN -0.134 nan 8.300 nan 0.000 0.576 128 W N 0.952 122.275 121.300 0.038 0.000 3.953 128 W HA 0.475 5.136 4.660 0.002 0.000 0.286 128 W C -1.538 174.962 176.519 -0.033 0.000 1.256 128 W CA -1.278 56.074 57.345 0.012 0.000 1.244 128 W CB 0.930 30.400 29.460 0.016 0.000 1.262 128 W HN -0.313 nan 8.180 nan 0.000 0.522 129 R N 6.627 126.757 120.500 -0.617 0.000 2.564 129 R HA 0.541 4.882 4.340 0.002 0.000 0.284 129 R C -2.704 172.987 176.300 -1.014 0.000 1.031 129 R CA -1.702 54.063 56.100 -0.558 0.000 0.904 129 R CB 2.711 32.807 30.300 -0.340 0.000 1.199 129 R HN 0.161 nan 8.270 nan 0.000 0.443 130 P HA 0.116 nan 4.420 nan 0.000 0.278 130 P C -0.681 176.365 177.300 -0.424 0.000 1.238 130 P CA -0.190 62.491 63.100 -0.699 0.000 0.794 130 P CB 1.222 32.749 31.700 -0.290 0.000 0.955 131 D N 0.301 120.478 120.400 -0.372 0.000 2.183 131 D HA 0.027 4.669 4.640 0.002 0.000 0.205 131 D C 0.413 176.572 176.300 -0.236 0.000 0.962 131 D CA 1.248 55.083 54.000 -0.274 0.000 0.849 131 D CB 0.391 41.031 40.800 -0.266 0.000 0.978 131 D HN 0.130 nan 8.370 nan 0.000 0.488 132 V N 1.325 121.072 119.914 -0.279 0.000 2.656 132 V HA 0.265 4.386 4.120 0.002 0.000 0.307 132 V C -0.111 175.862 176.094 -0.200 0.000 1.051 132 V CA -0.811 61.335 62.300 -0.256 0.000 0.893 132 V CB 2.900 34.469 31.823 -0.424 0.000 0.999 132 V HN -0.256 nan 8.190 nan 0.000 0.426 133 V N 3.585 123.438 119.914 -0.101 0.000 2.347 133 V HA 0.341 4.463 4.120 0.002 0.000 0.280 133 V C -0.263 175.858 176.094 0.045 0.000 1.021 133 V CA -0.442 61.846 62.300 -0.020 0.000 0.847 133 V CB 0.977 32.809 31.823 0.015 0.000 0.990 133 V HN 0.918 nan 8.190 nan 0.000 0.444 134 H N 4.219 123.243 119.070 -0.076 0.000 2.661 134 H HA 0.690 5.247 4.556 0.002 0.000 0.290 134 H C 0.115 175.450 175.328 0.011 0.000 1.082 134 H CA -0.427 55.592 56.048 -0.048 0.000 1.234 134 H CB 0.844 30.517 29.762 -0.147 0.000 1.387 134 H HN 0.814 nan 8.280 nan 0.000 0.476 135 A N 5.151 128.142 122.820 0.285 0.000 2.303 135 A HA 0.342 4.664 4.320 0.002 0.000 0.317 135 A C -0.879 176.722 177.584 0.028 0.000 1.149 135 A CA -0.621 51.597 52.037 0.301 0.000 0.822 135 A CB 0.690 19.978 19.000 0.481 0.000 1.131 135 A HN 0.856 nan 8.150 nan 0.000 0.493 136 H N 1.501 120.697 119.070 0.210 0.000 2.727 136 H HA 0.359 4.916 4.556 0.002 0.000 0.330 136 H C -0.970 174.421 175.328 0.104 0.000 0.986 136 H CA 0.004 56.105 56.048 0.087 0.000 1.251 136 H CB 1.275 31.083 29.762 0.077 0.000 1.493 136 H HN 0.932 nan 8.280 nan 0.000 0.515 137 D N 0.815 121.251 120.400 0.060 0.000 10.579 137 D HA -0.224 4.418 4.640 0.002 0.000 0.361 137 D C 1.342 177.968 176.300 0.543 0.000 3.052 137 D CA 0.981 55.169 54.000 0.313 0.000 2.480 137 D CB -0.225 40.722 40.800 0.244 0.000 1.162 137 D HN 0.779 nan 8.370 nan 0.000 0.997 138 W N 1.131 122.610 121.300 0.299 0.000 2.338 138 W HA -0.237 4.425 4.660 0.004 0.000 0.304 138 W C 1.693 178.353 176.519 0.234 0.000 1.212 138 W CA 1.689 59.169 57.345 0.224 0.000 1.264 138 W CB -1.215 28.258 29.460 0.023 0.000 1.142 138 W HN 0.584 nan 8.180 nan 0.000 0.512 139 H N 1.920 120.671 119.070 -0.531 0.000 2.394 139 H HA -0.094 4.463 4.556 0.003 0.000 0.297 139 H C 2.394 177.889 175.328 0.277 0.000 1.113 139 H CA 2.776 58.494 56.048 -0.550 0.000 1.277 139 H CB -0.719 28.583 29.762 -0.767 0.000 1.370 139 H HN 0.283 nan 8.280 nan 0.000 0.506 140 A N 0.454 123.545 122.820 0.452 0.000 2.430 140 A HA 0.316 4.638 4.320 0.002 0.000 0.243 140 A C 2.410 180.291 177.584 0.495 0.000 1.254 140 A CA 0.437 52.763 52.037 0.482 0.000 0.914 140 A CB -0.372 18.893 19.000 0.443 0.000 0.998 140 A HN 0.459 nan 8.150 nan 0.000 0.515 141 G N 0.388 109.498 108.800 0.517 0.000 2.475 141 G HA2 -0.203 3.758 3.960 0.002 0.000 0.220 141 G HA3 -0.203 3.758 3.960 0.002 0.000 0.220 141 G C 1.296 176.229 174.900 0.055 0.000 1.125 141 G CA 1.046 46.296 45.100 0.251 0.000 0.755 141 G HN 0.461 nan 8.290 nan 0.000 0.565 142 L N 0.465 121.693 121.223 0.008 0.000 2.478 142 L HA 0.103 4.444 4.340 0.002 0.000 0.223 142 L C 3.239 180.162 176.870 0.088 0.000 1.140 142 L CA 0.414 55.167 54.840 -0.144 0.000 0.842 142 L CB -0.323 41.546 42.059 -0.317 0.000 0.953 142 L HN 0.316 nan 8.230 nan 0.000 0.452 143 A N 1.484 124.448 122.820 0.241 0.000 1.892 143 A HA -0.147 4.174 4.320 0.002 0.000 0.218 143 A C -0.165 177.526 177.584 0.179 0.000 1.188 143 A CA 1.710 53.909 52.037 0.269 0.000 0.631 143 A CB -1.687 17.464 19.000 0.252 0.000 0.822 143 A HN 0.293 nan 8.150 nan 0.000 0.447 144 P HA 0.015 nan 4.420 nan 0.000 0.223 144 P C 1.496 178.821 177.300 0.041 0.000 1.151 144 P CA 1.493 64.664 63.100 0.118 0.000 0.787 144 P CB -0.053 31.737 31.700 0.150 0.000 0.788 145 A N -1.188 121.567 122.820 -0.109 0.000 1.872 145 A HA -0.170 4.151 4.320 0.002 0.000 0.214 145 A C 2.038 179.497 177.584 -0.208 0.000 1.187 145 A CA 1.172 52.938 52.037 -0.453 0.000 0.614 145 A CB -1.816 16.852 19.000 -0.553 0.000 0.826 145 A HN 0.124 nan 8.150 nan 0.000 0.442 146 Y N -0.753 119.527 120.300 -0.034 0.000 2.207 146 Y HA -0.202 4.350 4.550 0.003 0.000 0.287 146 Y C 2.295 178.177 175.900 -0.031 0.000 1.156 146 Y CA 0.792 58.878 58.100 -0.023 0.000 1.182 146 Y CB -0.232 38.228 38.460 0.001 0.000 0.979 146 Y HN 0.212 nan 8.280 nan 0.000 0.521 147 L N -0.106 121.191 121.223 0.123 0.000 1.994 147 L HA -0.227 4.114 4.340 0.002 0.000 0.208 147 L C 2.579 179.492 176.870 0.072 0.000 1.071 147 L CA 1.943 56.821 54.840 0.065 0.000 0.745 147 L CB -1.615 40.477 42.059 0.054 0.000 0.892 147 L HN 0.221 nan 8.230 nan 0.000 0.431 148 A N -0.703 122.167 122.820 0.083 0.000 1.883 148 A HA -0.221 4.100 4.320 0.002 0.000 0.217 148 A C 2.437 180.142 177.584 0.201 0.000 1.186 148 A CA 2.169 54.284 52.037 0.131 0.000 0.624 148 A CB -1.064 18.005 19.000 0.115 0.000 0.822 148 A HN 0.446 nan 8.150 nan 0.000 0.444 149 A N -1.145 121.810 122.820 0.226 0.000 2.032 149 A HA -0.156 4.165 4.320 0.002 0.000 0.221 149 A C 1.999 179.625 177.584 0.071 0.000 1.165 149 A CA 1.489 53.592 52.037 0.110 0.000 0.645 149 A CB -0.328 18.590 19.000 -0.136 0.000 0.807 149 A HN 0.387 nan 8.150 nan 0.000 0.453 150 R N -1.530 119.011 120.500 0.069 0.000 2.393 150 R HA 0.204 4.545 4.340 0.002 0.000 0.244 150 R C 1.073 177.393 176.300 0.033 0.000 0.920 150 R CA 0.679 56.802 56.100 0.038 0.000 1.076 150 R CB -0.280 30.026 30.300 0.010 0.000 1.119 150 R HN 0.819 nan 8.270 nan 0.000 0.524 151 G N 2.135 110.968 108.800 0.055 0.000 2.132 151 G HA2 -0.324 3.637 3.960 0.002 0.000 0.234 151 G HA3 -0.324 3.637 3.960 0.002 0.000 0.234 151 G C -0.042 174.875 174.900 0.028 0.000 0.989 151 G CA -0.010 45.116 45.100 0.043 0.000 0.676 151 G HN 0.348 nan 8.290 nan 0.000 0.522 152 R N -2.108 118.410 120.500 0.030 0.000 3.146 152 R HA -0.181 4.160 4.340 0.002 0.000 0.250 152 R C -0.904 175.388 176.300 -0.012 0.000 0.912 152 R CA 0.763 56.872 56.100 0.015 0.000 0.633 152 R CB -1.484 28.831 30.300 0.024 0.000 1.180 152 R HN 0.513 nan 8.270 nan 0.000 0.464 153 P HA -0.030 nan 4.420 nan 0.000 0.230 153 P C 0.075 177.331 177.300 -0.073 0.000 1.158 153 P CA 1.376 64.444 63.100 -0.054 0.000 0.769 153 P CB 0.488 32.146 31.700 -0.070 0.000 0.807 154 A N -0.828 121.952 122.820 -0.066 0.000 2.566 154 A HA 0.614 4.936 4.320 0.002 0.000 0.292 154 A C -0.479 177.073 177.584 -0.052 0.000 1.112 154 A CA -0.716 51.271 52.037 -0.083 0.000 0.707 154 A CB 1.542 20.473 19.000 -0.114 0.000 1.302 154 A HN -0.268 nan 8.150 nan 0.000 0.409 155 K N 0.815 121.179 120.400 -0.060 0.000 2.107 155 K HA 0.621 4.942 4.320 0.002 0.000 0.251 155 K C 0.117 176.706 176.600 -0.019 0.000 1.012 155 K CA -0.038 56.233 56.287 -0.027 0.000 0.920 155 K CB 1.100 33.584 32.500 -0.025 0.000 1.033 155 K HN 0.945 nan 8.250 nan 0.000 0.478 156 S N -1.418 114.296 115.700 0.023 0.000 2.547 156 S HA 0.511 4.982 4.470 0.002 0.000 0.281 156 S C -0.714 173.930 174.600 0.072 0.000 1.118 156 S CA -0.942 57.286 58.200 0.047 0.000 0.947 156 S CB 1.500 64.752 63.200 0.087 0.000 1.053 156 S HN 0.352 nan 8.310 nan 0.000 0.482 157 V N 3.377 123.307 119.914 0.026 0.000 2.581 157 V HA 0.846 4.967 4.120 0.002 0.000 0.303 157 V C -1.441 174.711 176.094 0.096 0.000 1.041 157 V CA -1.037 61.269 62.300 0.009 0.000 0.907 157 V CB 1.444 33.193 31.823 -0.122 0.000 0.994 157 V HN 0.963 nan 8.190 nan 0.000 0.442 158 F N 5.061 125.037 119.950 0.043 0.000 2.449 158 F HA 0.674 5.203 4.527 0.003 0.000 0.342 158 F C 0.080 175.965 175.800 0.142 0.000 1.127 158 F CA -0.168 57.895 58.000 0.106 0.000 0.975 158 F CB 1.826 40.897 39.000 0.118 0.000 1.146 158 F HN 0.755 nan 8.300 nan 0.000 0.444 159 T N 6.427 120.692 114.554 -0.482 0.000 2.758 159 T HA 0.451 4.802 4.350 0.002 0.000 0.285 159 T C -1.072 173.358 174.700 -0.450 0.000 0.981 159 T CA -0.647 61.278 62.100 -0.293 0.000 0.965 159 T CB 0.865 69.773 68.868 0.065 0.000 0.927 159 T HN 0.661 nan 8.240 nan 0.000 0.448 160 V N 6.550 126.359 119.914 -0.175 0.000 2.432 160 V HA 0.399 4.520 4.120 0.002 0.000 0.271 160 V C 0.664 176.810 176.094 0.088 0.000 1.046 160 V CA 0.044 62.384 62.300 0.066 0.000 0.945 160 V CB 0.286 32.268 31.823 0.265 0.000 0.992 160 V HN 1.066 nan 8.190 nan 0.000 0.471 161 H N 5.104 124.285 119.070 0.185 0.000 2.547 161 H HA 0.293 4.850 4.556 0.002 0.000 0.272 161 H C 0.311 175.769 175.328 0.216 0.000 0.971 161 H CA 0.443 56.600 56.048 0.182 0.000 1.245 161 H CB 0.727 30.575 29.762 0.143 0.000 1.440 161 H HN 0.731 nan 8.280 nan 0.000 0.540 162 N N 0.428 119.395 118.700 0.445 0.000 2.839 162 N HA -0.037 4.704 4.740 0.002 0.000 0.258 162 N C -0.339 175.517 175.510 0.576 0.000 1.150 162 N CA -0.179 53.180 53.050 0.515 0.000 0.957 162 N CB 1.019 39.815 38.487 0.514 0.000 1.560 162 N HN -0.005 nan 8.380 nan 0.000 0.588 163 L N 3.113 124.697 121.223 0.602 0.000 2.478 163 L HA 0.315 4.656 4.340 0.002 0.000 0.223 163 L C 2.089 179.195 176.870 0.394 0.000 1.140 163 L CA 1.218 56.325 54.840 0.446 0.000 0.842 163 L CB -0.118 42.132 42.059 0.318 0.000 0.953 163 L HN 0.737 nan 8.230 nan 0.000 0.452 164 A N -1.662 121.372 122.820 0.357 0.000 2.066 164 A HA -0.089 4.232 4.320 0.002 0.000 0.218 164 A C 0.218 177.612 177.584 -0.317 0.000 1.157 164 A CA 0.575 52.544 52.037 -0.113 0.000 0.670 164 A CB -0.569 18.331 19.000 -0.167 0.000 0.804 164 A HN 0.352 nan 8.150 nan 0.000 0.453 165 Y N 0.208 120.579 120.300 0.118 0.000 2.434 165 Y HA 0.368 4.919 4.550 0.003 0.000 0.341 165 Y C 1.061 176.910 175.900 -0.085 0.000 0.965 165 Y CA -0.375 57.742 58.100 0.028 0.000 1.205 165 Y CB 1.145 39.744 38.460 0.232 0.000 1.121 165 Y HN 0.264 nan 8.280 nan 0.000 0.507 166 Q N 2.403 122.054 119.800 -0.248 0.000 2.319 166 Q HA 0.191 4.532 4.340 0.002 0.000 0.209 166 Q C 1.175 176.868 176.000 -0.512 0.000 0.884 166 Q CA 0.244 55.887 55.803 -0.268 0.000 0.938 166 Q CB 0.853 29.464 28.738 -0.213 0.000 1.098 166 Q HN 1.037 nan 8.270 nan 0.000 0.517 167 G N 2.379 110.420 108.800 -1.266 0.000 2.372 167 G HA2 -0.237 3.724 3.960 0.002 0.000 0.297 167 G HA3 -0.237 3.724 3.960 0.002 0.000 0.297 167 G C -0.139 174.208 174.900 -0.922 0.000 1.005 167 G CA -0.001 44.093 45.100 -1.677 0.000 1.173 167 G HN 0.063 nan 8.290 nan 0.000 0.511 168 M N -0.146 118.887 119.600 -0.946 0.000 2.185 168 M HA 0.657 5.139 4.480 0.002 0.000 0.357 168 M C 0.094 175.835 176.300 -0.932 0.000 1.260 168 M CA -0.348 54.599 55.300 -0.588 0.000 1.124 168 M CB 0.190 32.546 32.600 -0.407 0.000 1.600 168 M HN 0.185 nan 8.290 nan 0.000 0.467 169 F N 1.097 120.956 119.950 -0.152 0.000 2.599 169 F HA 0.456 4.984 4.527 0.001 0.000 0.311 169 F C -0.350 175.432 175.800 -0.029 0.000 1.076 169 F CA -0.992 56.926 58.000 -0.137 0.000 0.937 169 F CB 1.173 40.139 39.000 -0.057 0.000 1.282 169 F HN 0.390 nan 8.300 nan 0.000 0.460 170 Y N 0.821 121.281 120.300 0.266 0.000 2.805 170 Y HA 0.125 4.676 4.550 0.001 0.000 0.337 170 Y C 1.434 177.307 175.900 -0.045 0.000 1.252 170 Y CA 0.175 58.318 58.100 0.072 0.000 1.515 170 Y CB 0.527 38.955 38.460 -0.052 0.000 1.305 170 Y HN 0.797 nan 8.280 nan 0.000 0.600 171 A N 2.344 125.262 122.820 0.163 0.000 2.024 171 A HA -0.280 4.041 4.320 0.002 0.000 0.220 171 A C 1.765 179.241 177.584 -0.180 0.000 1.164 171 A CA 2.046 54.031 52.037 -0.088 0.000 0.643 171 A CB -1.207 17.647 19.000 -0.244 0.000 0.806 171 A HN 1.039 nan 8.150 nan 0.000 0.451 172 H N -2.704 116.356 119.070 -0.017 0.000 2.518 172 H HA -0.080 4.477 4.556 0.001 0.000 0.289 172 H C 1.568 176.849 175.328 -0.079 0.000 1.051 172 H CA 1.422 57.454 56.048 -0.027 0.000 1.280 172 H CB -0.607 29.108 29.762 -0.079 0.000 1.380 172 H HN 0.596 nan 8.280 nan 0.000 0.566 173 H N 0.239 119.159 119.070 -0.250 0.000 2.559 173 H HA -0.012 4.545 4.556 0.002 0.000 0.273 173 H C 1.579 176.789 175.328 -0.196 0.000 1.000 173 H CA 0.858 56.825 56.048 -0.134 0.000 1.195 173 H CB 0.141 29.839 29.762 -0.105 0.000 1.368 173 H HN 0.406 nan 8.280 nan 0.000 0.592 174 M N 0.305 119.731 119.600 -0.290 0.000 2.260 174 M HA -0.195 4.286 4.480 0.002 0.000 0.261 174 M C 1.883 177.842 176.300 -0.567 0.000 1.066 174 M CA 0.794 55.687 55.300 -0.679 0.000 1.082 174 M CB -0.903 30.739 32.600 -1.598 0.000 1.388 174 M HN 0.356 nan 8.290 nan 0.000 0.419 175 N N 0.136 118.728 118.700 -0.179 0.000 2.396 175 N HA -0.133 4.608 4.740 0.002 0.000 0.180 175 N C 0.503 176.030 175.510 0.028 0.000 1.028 175 N CA 0.875 53.977 53.050 0.085 0.000 0.893 175 N CB 0.255 38.886 38.487 0.240 0.000 0.967 175 N HN 0.370 nan 8.380 nan 0.000 0.440 176 D N 0.098 120.495 120.400 -0.005 0.000 2.389 176 D HA 0.067 4.708 4.640 0.002 0.000 0.206 176 D C 1.479 177.660 176.300 -0.198 0.000 1.055 176 D CA 0.200 54.212 54.000 0.021 0.000 0.856 176 D CB 0.674 41.573 40.800 0.165 0.000 0.957 176 D HN 0.495 nan 8.370 nan 0.000 0.509 177 I N -2.052 118.282 120.570 -0.394 0.000 3.974 177 I HA 0.257 4.428 4.170 0.002 0.000 0.334 177 I C 0.146 175.761 176.117 -0.836 0.000 1.437 177 I CA -0.165 60.603 61.300 -0.887 0.000 1.113 177 I CB 0.254 37.961 38.000 -0.488 0.000 1.063 177 I HN -0.259 nan 8.210 nan 0.000 0.400 178 Q N 1.572 121.097 119.800 -0.459 0.000 2.453 178 Q HA -0.121 4.220 4.340 0.002 0.000 0.294 178 Q C -0.949 174.980 176.000 -0.118 0.000 1.295 178 Q CA 0.476 56.158 55.803 -0.201 0.000 0.853 178 Q CB -0.889 27.804 28.738 -0.075 0.000 1.193 178 Q HN 0.679 nan 8.270 nan 0.000 0.461 179 L N 0.127 121.186 121.223 -0.274 0.000 2.334 179 L HA 0.589 4.930 4.340 0.002 0.000 0.272 179 L C -1.940 174.672 176.870 -0.431 0.000 1.020 179 L CA -2.341 52.257 54.840 -0.404 0.000 0.812 179 L CB 1.235 42.985 42.059 -0.516 0.000 1.264 179 L HN -0.040 nan 8.230 nan 0.000 0.439 180 P HA -0.060 nan 4.420 nan 0.000 0.263 180 P C -0.164 177.059 177.300 -0.128 0.000 1.195 180 P CA 0.176 63.079 63.100 -0.328 0.000 0.762 180 P CB 0.312 31.735 31.700 -0.460 0.000 0.799 181 W N 2.224 123.506 121.300 -0.029 0.000 2.341 181 W HA -0.214 4.447 4.660 0.000 0.000 0.283 181 W C 2.385 179.012 176.519 0.180 0.000 1.215 181 W CA 2.002 59.388 57.345 0.067 0.000 1.211 181 W CB -0.742 28.743 29.460 0.042 0.000 1.131 181 W HN 0.380 nan 8.180 nan 0.000 0.552 182 S N -1.082 114.855 115.700 0.395 0.000 2.500 182 S HA -0.191 4.280 4.470 0.002 0.000 0.239 182 S C 1.576 176.472 174.600 0.494 0.000 0.989 182 S CA 0.720 59.156 58.200 0.394 0.000 0.951 182 S CB -0.891 62.503 63.200 0.322 0.000 0.759 182 S HN 0.120 nan 8.310 nan 0.000 0.523 183 F N 1.095 121.137 119.950 0.153 0.000 2.365 183 F HA 0.306 4.834 4.527 0.001 0.000 0.300 183 F C 0.911 176.792 175.800 0.135 0.000 1.090 183 F CA -0.981 57.101 58.000 0.137 0.000 1.408 183 F CB -0.884 38.129 39.000 0.021 0.000 1.060 183 F HN 0.291 nan 8.300 nan 0.000 0.534 184 F N 2.431 122.513 119.950 0.220 0.000 2.651 184 F HA 0.195 4.722 4.527 -0.000 0.000 0.347 184 F C 0.243 176.122 175.800 0.133 0.000 1.284 184 F CA -0.039 58.048 58.000 0.144 0.000 1.175 184 F CB -0.647 38.441 39.000 0.148 0.000 1.542 184 F HN -0.138 nan 8.300 nan 0.000 0.661 185 N N 4.216 122.782 118.700 -0.224 0.000 2.484 185 N HA 0.207 4.949 4.740 0.002 0.000 0.269 185 N C 0.966 176.283 175.510 -0.322 0.000 1.237 185 N CA -0.528 52.410 53.050 -0.188 0.000 0.838 185 N CB 1.464 39.931 38.487 -0.033 0.000 1.593 185 N HN 0.382 nan 8.380 nan 0.000 0.485 186 I N 0.788 121.196 120.570 -0.270 0.000 2.248 186 I HA -0.228 3.943 4.170 0.002 0.000 0.248 186 I C 0.390 176.194 176.117 -0.522 0.000 1.107 186 I CA 1.110 62.206 61.300 -0.340 0.000 1.373 186 I CB -0.238 37.589 38.000 -0.290 0.000 1.055 186 I HN 0.337 nan 8.210 nan 0.000 0.418 187 H N 1.224 120.084 119.070 -0.349 0.000 2.820 187 H HA 0.431 4.987 4.556 -0.000 0.000 0.248 187 H C 0.527 175.209 175.328 -1.078 0.000 1.714 187 H CA 0.498 56.212 56.048 -0.556 0.000 1.334 187 H CB -0.083 29.584 29.762 -0.158 0.000 1.693 187 H HN 0.389 nan 8.280 nan 0.000 0.548 188 G N 0.883 108.776 108.800 -1.512 0.000 2.404 188 G HA2 -0.029 3.933 3.960 0.002 0.000 0.253 188 G HA3 -0.029 3.933 3.960 0.002 0.000 0.253 188 G C -0.220 174.300 174.900 -0.633 0.000 1.253 188 G CA -0.581 43.880 45.100 -1.065 0.000 0.917 188 G HN 0.259 nan 8.290 nan 0.000 0.480 189 L N -0.442 120.675 121.223 -0.176 0.000 2.629 189 L HA 0.529 4.870 4.340 0.002 0.000 0.230 189 L C 0.664 177.489 176.870 -0.075 0.000 1.151 189 L CA -0.058 54.762 54.840 -0.033 0.000 0.924 189 L CB -0.105 42.050 42.059 0.160 0.000 1.137 189 L HN 0.501 nan 8.230 nan 0.000 0.457 190 E N 0.996 121.026 120.200 -0.283 0.000 2.313 190 E HA 0.258 4.609 4.350 0.002 0.000 0.276 190 E C -1.622 174.919 176.600 -0.097 0.000 1.031 190 E CA -0.466 55.689 56.400 -0.409 0.000 0.857 190 E CB 0.861 30.015 29.700 -0.909 0.000 1.040 190 E HN 0.192 nan 8.360 nan 0.000 0.408 191 F N 5.266 125.109 119.950 -0.178 0.000 2.787 191 F HA 0.219 4.749 4.527 0.005 0.000 0.340 191 F C -0.057 175.707 175.800 -0.060 0.000 1.232 191 F CA -0.697 57.236 58.000 -0.111 0.000 1.051 191 F CB 0.473 39.430 39.000 -0.073 0.000 1.330 191 F HN 0.784 nan 8.300 nan 0.000 0.522 192 N N 4.413 122.794 118.700 -0.532 0.000 2.740 192 N HA -0.208 4.534 4.740 0.002 0.000 0.248 192 N C 0.942 176.370 175.510 -0.137 0.000 1.062 192 N CA 0.896 53.694 53.050 -0.420 0.000 0.704 192 N CB -0.760 37.355 38.487 -0.618 0.000 0.968 192 N HN 1.563 nan 8.380 nan 0.000 0.547 193 G N -0.919 107.858 108.800 -0.037 0.000 2.168 193 G HA2 -0.327 3.634 3.960 0.002 0.000 0.263 193 G HA3 -0.327 3.634 3.960 0.002 0.000 0.263 193 G C -0.093 174.997 174.900 0.315 0.000 0.977 193 G CA 1.117 46.307 45.100 0.150 0.000 0.659 193 G HN 0.624 nan 8.290 nan 0.000 0.533 194 Q N -1.208 118.741 119.800 0.248 0.000 2.552 194 Q HA 0.696 5.037 4.340 0.002 0.000 0.289 194 Q C 0.004 176.250 176.000 0.410 0.000 1.097 194 Q CA -1.183 54.822 55.803 0.337 0.000 0.812 194 Q CB 1.765 30.601 28.738 0.164 0.000 1.460 194 Q HN 0.285 nan 8.270 nan 0.000 0.452 195 I N 1.087 121.929 120.570 0.453 0.000 2.496 195 I HA 0.096 4.267 4.170 0.002 0.000 0.285 195 I C 0.083 176.419 176.117 0.364 0.000 1.080 195 I CA 0.254 61.818 61.300 0.440 0.000 1.404 195 I CB 1.084 39.373 38.000 0.482 0.000 1.403 195 I HN 0.313 nan 8.210 nan 0.000 0.539 196 S N 5.492 121.384 115.700 0.320 0.000 2.552 196 S HA 0.390 4.861 4.470 0.002 0.000 0.314 196 S C 0.664 175.497 174.600 0.388 0.000 1.099 196 S CA -0.580 57.775 58.200 0.258 0.000 1.070 196 S CB 0.518 63.772 63.200 0.090 0.000 0.998 196 S HN 0.428 nan 8.310 nan 0.000 0.474 197 F N 3.440 123.504 119.950 0.189 0.000 2.234 197 F HA 0.043 4.571 4.527 0.001 0.000 0.299 197 F C 1.949 177.848 175.800 0.165 0.000 1.087 197 F CA 0.582 58.747 58.000 0.276 0.000 1.340 197 F CB -0.468 38.882 39.000 0.583 0.000 1.031 197 F HN 0.572 nan 8.300 nan 0.000 0.500 198 L N -0.144 121.269 121.223 0.318 0.000 2.017 198 L HA -0.225 4.117 4.340 0.002 0.000 0.208 198 L C 2.712 179.549 176.870 -0.055 0.000 1.073 198 L CA 1.562 56.501 54.840 0.166 0.000 0.745 198 L CB -0.393 41.751 42.059 0.141 0.000 0.894 198 L HN 0.003 nan 8.230 nan 0.000 0.432 199 K N 0.386 120.736 120.400 -0.084 0.000 2.074 199 K HA -0.197 4.125 4.320 0.002 0.000 0.209 199 K C 1.966 178.519 176.600 -0.078 0.000 1.048 199 K CA 1.714 57.922 56.287 -0.132 0.000 0.926 199 K CB -0.410 32.011 32.500 -0.131 0.000 0.713 199 K HN 0.431 nan 8.250 nan 0.000 0.444 200 A N 0.154 122.973 122.820 -0.002 0.000 1.883 200 A HA -0.100 4.221 4.320 0.002 0.000 0.217 200 A C 2.463 180.038 177.584 -0.015 0.000 1.186 200 A CA 2.251 54.348 52.037 0.100 0.000 0.624 200 A CB -1.147 17.908 19.000 0.092 0.000 0.822 200 A HN 0.452 nan 8.150 nan 0.000 0.444 201 G N -0.320 108.262 108.800 -0.362 0.000 2.418 201 G HA2 -0.145 3.816 3.960 0.002 0.000 0.217 201 G HA3 -0.145 3.816 3.960 0.002 0.000 0.217 201 G C 1.547 176.056 174.900 -0.651 0.000 1.158 201 G CA 1.016 45.569 45.100 -0.912 0.000 0.771 201 G HN 0.434 nan 8.290 nan 0.000 0.545 202 L N -1.289 119.663 121.223 -0.453 0.000 2.141 202 L HA -0.011 4.331 4.340 0.002 0.000 0.209 202 L C 2.554 179.358 176.870 -0.110 0.000 1.094 202 L CA 1.028 55.790 54.840 -0.131 0.000 0.763 202 L CB -0.332 41.692 42.059 -0.058 0.000 0.908 202 L HN 0.318 nan 8.230 nan 0.000 0.437 203 Y N -0.815 119.321 120.300 -0.273 0.000 2.231 203 Y HA -0.180 4.372 4.550 0.003 0.000 0.294 203 Y C 2.110 177.749 175.900 -0.436 0.000 1.120 203 Y CA 1.344 59.205 58.100 -0.399 0.000 1.141 203 Y CB -0.056 38.042 38.460 -0.603 0.000 1.022 203 Y HN 0.002 nan 8.280 nan 0.000 0.523 204 Y N 0.187 120.457 120.300 -0.051 0.000 2.523 204 Y HA 0.339 4.890 4.550 0.002 0.000 0.279 204 Y C 1.389 177.234 175.900 -0.092 0.000 1.139 204 Y CA -0.144 57.900 58.100 -0.094 0.000 1.296 204 Y CB -0.356 38.088 38.460 -0.027 0.000 1.045 204 Y HN 0.069 nan 8.280 nan 0.000 0.538 205 A N 0.629 123.473 122.820 0.040 0.000 2.445 205 A HA -0.002 4.319 4.320 0.002 0.000 0.242 205 A C 0.977 178.580 177.584 0.030 0.000 1.075 205 A CA -0.133 51.952 52.037 0.080 0.000 0.777 205 A CB 0.182 19.274 19.000 0.154 0.000 1.013 205 A HN 0.343 nan 8.150 nan 0.000 0.493 206 D N -0.275 120.164 120.400 0.065 0.000 2.144 206 D HA -0.063 4.578 4.640 0.002 0.000 0.200 206 D C 0.366 176.732 176.300 0.111 0.000 0.978 206 D CA 1.645 55.681 54.000 0.061 0.000 0.833 206 D CB 0.088 40.931 40.800 0.071 0.000 0.961 206 D HN 0.655 nan 8.370 nan 0.000 0.470 207 H N -0.900 118.188 119.070 0.030 0.000 3.038 207 H HA 0.382 4.940 4.556 0.003 0.000 0.362 207 H C -1.207 174.167 175.328 0.076 0.000 1.167 207 H CA -0.520 55.551 56.048 0.038 0.000 1.197 207 H CB 1.341 31.125 29.762 0.037 0.000 1.840 207 H HN -0.193 nan 8.280 nan 0.000 0.540 208 I N 2.780 123.253 120.570 -0.162 0.000 2.493 208 I HA 0.263 4.435 4.170 0.002 0.000 0.298 208 I C 0.180 176.341 176.117 0.074 0.000 0.998 208 I CA -0.435 60.891 61.300 0.043 0.000 1.137 208 I CB 2.134 40.143 38.000 0.016 0.000 1.310 208 I HN 0.395 nan 8.210 nan 0.000 0.445 209 T N 4.120 118.776 114.554 0.171 0.000 2.893 209 T HA 0.756 5.108 4.350 0.002 0.000 0.291 209 T C -0.632 174.143 174.700 0.126 0.000 1.028 209 T CA -0.438 61.781 62.100 0.197 0.000 0.995 209 T CB 1.905 70.965 68.868 0.319 0.000 1.051 209 T HN 0.692 nan 8.240 nan 0.000 0.470 210 A N 1.616 124.501 122.820 0.109 0.000 2.346 210 A HA 0.732 5.053 4.320 0.002 0.000 0.313 210 A C 0.627 178.275 177.584 0.107 0.000 1.140 210 A CA -0.512 51.596 52.037 0.119 0.000 0.826 210 A CB 1.115 20.203 19.000 0.147 0.000 1.332 210 A HN 0.633 nan 8.150 nan 0.000 0.457 211 V N 1.300 121.267 119.914 0.089 0.000 3.620 211 V HA 0.166 4.287 4.120 0.002 0.000 0.286 211 V C 0.542 176.650 176.094 0.023 0.000 1.288 211 V CA 1.363 63.687 62.300 0.040 0.000 1.178 211 V CB -1.238 30.555 31.823 -0.050 0.000 0.986 211 V HN 0.976 nan 8.190 nan 0.000 0.431 212 S N -2.390 113.340 115.700 0.051 0.000 2.547 212 S HA 0.506 4.977 4.470 0.002 0.000 0.270 212 S C -2.527 172.084 174.600 0.017 0.000 1.150 212 S CA -1.043 57.162 58.200 0.008 0.000 0.850 212 S CB 2.014 65.199 63.200 -0.026 0.000 1.118 212 S HN -0.075 nan 8.310 nan 0.000 0.461 213 P HA -0.110 nan 4.420 nan 0.000 0.215 213 P C 1.792 179.070 177.300 -0.037 0.000 1.153 213 P CA 2.292 65.377 63.100 -0.025 0.000 0.853 213 P CB -0.175 31.506 31.700 -0.032 0.000 0.788 214 T N -3.217 111.314 114.554 -0.038 0.000 2.942 214 T HA -0.185 4.166 4.350 0.002 0.000 0.265 214 T C 1.841 176.500 174.700 -0.069 0.000 1.062 214 T CA 0.633 62.692 62.100 -0.067 0.000 1.139 214 T CB -1.088 67.731 68.868 -0.082 0.000 0.883 214 T HN -0.099 nan 8.240 nan 0.000 0.468 215 Y N 2.093 122.297 120.300 -0.161 0.000 2.224 215 Y HA 0.102 4.654 4.550 0.003 0.000 0.289 215 Y C 2.697 178.509 175.900 -0.147 0.000 1.146 215 Y CA 0.705 58.701 58.100 -0.173 0.000 1.182 215 Y CB -1.043 37.363 38.460 -0.090 0.000 0.983 215 Y HN 0.348 nan 8.280 nan 0.000 0.524 216 A N 0.257 123.026 122.820 -0.085 0.000 1.948 216 A HA -0.239 4.082 4.320 0.002 0.000 0.220 216 A C 2.366 179.816 177.584 -0.223 0.000 1.177 216 A CA 2.035 53.985 52.037 -0.146 0.000 0.636 216 A CB -0.537 18.426 19.000 -0.062 0.000 0.815 216 A HN 0.527 nan 8.150 nan 0.000 0.449 217 R N -0.858 119.512 120.500 -0.217 0.000 2.075 217 R HA -0.028 4.314 4.340 0.002 0.000 0.226 217 R C 2.104 178.243 176.300 -0.268 0.000 1.114 217 R CA 1.204 57.157 56.100 -0.246 0.000 0.972 217 R CB -0.261 29.922 30.300 -0.195 0.000 0.869 217 R HN 0.661 nan 8.270 nan 0.000 0.437 218 E N 1.145 121.140 120.200 -0.343 0.000 2.110 218 E HA -0.177 4.174 4.350 0.002 0.000 0.193 218 E C 1.931 178.327 176.600 -0.342 0.000 0.988 218 E CA 1.329 57.459 56.400 -0.449 0.000 0.804 218 E CB -0.182 28.976 29.700 -0.903 0.000 0.745 218 E HN 0.456 nan 8.360 nan 0.000 0.458 219 I N -0.311 119.975 120.570 -0.472 0.000 3.334 219 I HA -0.057 4.114 4.170 0.002 0.000 0.282 219 I C 1.876 177.853 176.117 -0.233 0.000 1.313 219 I CA 1.152 62.214 61.300 -0.397 0.000 1.396 219 I CB -0.494 37.192 38.000 -0.523 0.000 1.054 219 I HN -0.059 nan 8.210 nan 0.000 0.495 220 T N -1.996 112.437 114.554 -0.201 0.000 3.169 220 T HA 0.233 4.585 4.350 0.002 0.000 0.250 220 T C 0.395 175.039 174.700 -0.094 0.000 1.111 220 T CA -0.154 61.862 62.100 -0.140 0.000 1.010 220 T CB -0.393 68.380 68.868 -0.158 0.000 0.984 220 T HN 0.545 nan 8.240 nan 0.000 0.537 221 E N 1.622 121.779 120.200 -0.072 0.000 2.195 221 E HA 0.306 4.658 4.350 0.002 0.000 0.271 221 E C -2.049 174.508 176.600 -0.072 0.000 0.923 221 E CA -2.863 53.522 56.400 -0.024 0.000 0.790 221 E CB 2.103 31.853 29.700 0.083 0.000 1.155 221 E HN -0.059 nan 8.360 nan 0.000 0.402 222 P HA -0.255 nan 4.420 nan 0.000 0.218 222 P C 1.252 178.417 177.300 -0.225 0.000 1.148 222 P CA 1.233 64.258 63.100 -0.125 0.000 0.822 222 P CB 0.257 31.912 31.700 -0.076 0.000 0.784 223 Q N -1.490 118.162 119.800 -0.248 0.000 2.234 223 Q HA -0.144 4.198 4.340 0.002 0.000 0.206 223 Q C 0.949 176.471 176.000 -0.796 0.000 0.980 223 Q CA 1.411 56.933 55.803 -0.468 0.000 0.869 223 Q CB -0.269 28.135 28.738 -0.557 0.000 0.912 223 Q HN 0.246 nan 8.270 nan 0.000 0.436 224 F N -2.278 117.372 119.950 -0.500 0.000 2.746 224 F HA 0.381 4.909 4.527 0.002 0.000 0.313 224 F C 1.540 176.661 175.800 -1.131 0.000 1.095 224 F CA 0.215 57.791 58.000 -0.705 0.000 1.224 224 F CB 0.632 39.426 39.000 -0.343 0.000 1.060 224 F HN 0.070 nan 8.300 nan 0.000 0.584 225 A N -1.464 120.903 122.820 -0.756 0.000 2.229 225 A HA 0.173 4.494 4.320 0.002 0.000 0.211 225 A C 0.311 177.649 177.584 -0.410 0.000 1.193 225 A CA -0.036 51.685 52.037 -0.527 0.000 0.879 225 A CB -0.833 18.015 19.000 -0.253 0.000 0.911 225 A HN 0.443 nan 8.150 nan 0.000 0.492 226 Y N -1.429 118.836 120.300 -0.059 0.000 3.491 226 Y HA -0.266 4.285 4.550 0.001 0.000 0.215 226 Y C 1.470 177.431 175.900 0.102 0.000 1.219 226 Y CA 0.550 58.638 58.100 -0.020 0.000 1.485 226 Y CB -1.915 36.516 38.460 -0.048 0.000 1.450 226 Y HN 1.008 nan 8.280 nan 0.000 0.603 227 G N -2.262 106.634 108.800 0.159 0.000 2.231 227 G HA2 -0.258 3.703 3.960 0.002 0.000 0.206 227 G HA3 -0.258 3.703 3.960 0.002 0.000 0.206 227 G C 0.581 175.610 174.900 0.216 0.000 0.996 227 G CA 0.112 45.369 45.100 0.261 0.000 0.645 227 G HN 0.265 nan 8.290 nan 0.000 0.498 228 M N 1.670 121.291 119.600 0.034 0.000 2.561 228 M HA 0.124 4.605 4.480 0.002 0.000 0.238 228 M C 2.324 178.594 176.300 -0.050 0.000 1.131 228 M CA 1.310 56.573 55.300 -0.063 0.000 1.046 228 M CB -0.427 32.083 32.600 -0.150 0.000 1.532 228 M HN 0.608 nan 8.290 nan 0.000 0.497 229 E N 0.571 120.744 120.200 -0.046 0.000 2.077 229 E HA -0.151 4.200 4.350 0.002 0.000 0.193 229 E C 1.901 178.477 176.600 -0.039 0.000 0.989 229 E CA 1.872 58.235 56.400 -0.061 0.000 0.800 229 E CB -0.957 28.704 29.700 -0.065 0.000 0.746 229 E HN 0.436 nan 8.360 nan 0.000 0.452 230 G N 2.127 110.914 108.800 -0.021 0.000 2.422 230 G HA2 -0.207 3.754 3.960 0.002 0.000 0.218 230 G HA3 -0.207 3.754 3.960 0.002 0.000 0.218 230 G C 1.666 176.556 174.900 -0.016 0.000 1.146 230 G CA 0.766 45.856 45.100 -0.015 0.000 0.769 230 G HN 0.268 nan 8.290 nan 0.000 0.547 231 L N -0.286 120.924 121.223 -0.022 0.000 2.046 231 L HA 0.063 4.404 4.340 0.002 0.000 0.208 231 L C 2.784 179.636 176.870 -0.030 0.000 1.077 231 L CA 1.067 55.895 54.840 -0.020 0.000 0.747 231 L CB -0.125 41.920 42.059 -0.023 0.000 0.896 231 L HN 0.230 nan 8.230 nan 0.000 0.432 232 L N -0.792 120.407 121.223 -0.040 0.000 2.131 232 L HA -0.188 4.153 4.340 0.002 0.000 0.206 232 L C 2.620 179.478 176.870 -0.021 0.000 1.087 232 L CA 0.907 55.719 54.840 -0.046 0.000 0.767 232 L CB -0.312 41.702 42.059 -0.076 0.000 0.917 232 L HN 0.295 nan 8.230 nan 0.000 0.441 233 Q N -0.534 119.256 119.800 -0.016 0.000 2.096 233 Q HA -0.299 4.043 4.340 0.002 0.000 0.204 233 Q C 2.231 178.252 176.000 0.036 0.000 0.982 233 Q CA 1.722 57.536 55.803 0.019 0.000 0.850 233 Q CB -0.161 28.580 28.738 0.005 0.000 0.901 233 Q HN 0.480 nan 8.270 nan 0.000 0.422 234 Q N 0.181 119.985 119.800 0.005 0.000 2.046 234 Q HA -0.161 4.180 4.340 0.002 0.000 0.200 234 Q C 2.044 178.026 176.000 -0.030 0.000 0.975 234 Q CA 0.923 56.721 55.803 -0.009 0.000 0.836 234 Q CB 0.194 28.927 28.738 -0.007 0.000 0.896 234 Q HN 0.229 nan 8.270 nan 0.000 0.428 235 R N -0.244 120.231 120.500 -0.041 0.000 2.096 235 R HA -0.149 4.192 4.340 0.002 0.000 0.235 235 R C 2.180 178.458 176.300 -0.037 0.000 1.127 235 R CA 1.309 57.368 56.100 -0.069 0.000 0.968 235 R CB -1.103 29.141 30.300 -0.095 0.000 0.861 235 R HN 0.560 nan 8.270 nan 0.000 0.440 236 H N 1.349 120.368 119.070 -0.085 0.000 2.290 236 H HA -0.077 4.480 4.556 0.002 0.000 0.298 236 H C 1.855 177.152 175.328 -0.052 0.000 1.087 236 H CA 1.780 57.785 56.048 -0.071 0.000 1.291 236 H CB 0.235 29.960 29.762 -0.062 0.000 1.369 236 H HN 0.099 nan 8.280 nan 0.000 0.492 237 R N 0.328 120.717 120.500 -0.186 0.000 2.120 237 R HA -0.110 4.231 4.340 0.002 0.000 0.234 237 R C 2.083 178.279 176.300 -0.172 0.000 1.123 237 R CA 1.535 57.502 56.100 -0.222 0.000 0.975 237 R CB -0.119 30.128 30.300 -0.089 0.000 0.866 237 R HN 0.590 nan 8.270 nan 0.000 0.446 238 E N -0.216 119.912 120.200 -0.120 0.000 2.511 238 E HA 0.020 4.371 4.350 0.002 0.000 0.196 238 E C 0.705 177.254 176.600 -0.085 0.000 1.066 238 E CA 0.341 56.686 56.400 -0.091 0.000 0.871 238 E CB 0.248 29.902 29.700 -0.077 0.000 0.863 238 E HN 0.508 nan 8.360 nan 0.000 0.520 239 G N 2.026 110.754 108.800 -0.121 0.000 2.198 239 G HA2 -0.343 3.618 3.960 0.002 0.000 0.257 239 G HA3 -0.343 3.618 3.960 0.002 0.000 0.257 239 G C 0.540 175.441 174.900 0.001 0.000 1.042 239 G CA 0.272 45.336 45.100 -0.061 0.000 0.791 239 G HN 0.272 nan 8.290 nan 0.000 0.502 240 R N -1.315 119.120 120.500 -0.107 0.000 2.613 240 R HA 0.468 4.809 4.340 0.002 0.000 0.361 240 R C -0.095 175.800 176.300 -0.675 0.000 1.072 240 R CA -0.286 55.632 56.100 -0.303 0.000 1.089 240 R CB 0.664 30.859 30.300 -0.175 0.000 1.343 240 R HN 0.317 nan 8.270 nan 0.000 0.571 241 L N 0.608 121.604 121.223 -0.378 0.000 2.438 241 L HA 0.499 4.841 4.340 0.002 0.000 0.270 241 L C -0.920 175.948 176.870 -0.005 0.000 0.972 241 L CA -0.282 54.423 54.840 -0.224 0.000 0.831 241 L CB 1.999 44.023 42.059 -0.059 0.000 1.273 241 L HN 0.099 nan 8.230 nan 0.000 0.405 242 S N 2.256 118.004 115.700 0.080 0.000 2.638 242 S HA 0.961 5.432 4.470 0.002 0.000 0.274 242 S C -0.533 174.117 174.600 0.083 0.000 1.157 242 S CA -0.331 57.947 58.200 0.129 0.000 0.826 242 S CB 1.442 64.768 63.200 0.211 0.000 1.139 242 S HN 0.971 nan 8.310 nan 0.000 0.474 243 G N -0.045 108.777 108.800 0.036 0.000 2.470 243 G HA2 0.617 4.579 3.960 0.002 0.000 0.320 243 G HA3 0.617 4.579 3.960 0.002 0.000 0.320 243 G C -1.460 173.423 174.900 -0.028 0.000 1.245 243 G CA -0.822 44.288 45.100 0.016 0.000 0.935 243 G HN 0.928 nan 8.290 nan 0.000 0.476 244 V N 3.715 123.604 119.914 -0.042 0.000 2.447 244 V HA 0.251 4.372 4.120 0.002 0.000 0.292 244 V C -0.120 175.944 176.094 -0.050 0.000 1.021 244 V CA -0.772 61.445 62.300 -0.138 0.000 0.850 244 V CB 1.324 32.882 31.823 -0.442 0.000 1.005 244 V HN 0.751 nan 8.190 nan 0.000 0.426 245 L N 5.211 126.396 121.223 -0.063 0.000 2.490 245 L HA 0.238 4.580 4.340 0.002 0.000 0.274 245 L C 0.767 177.566 176.870 -0.118 0.000 1.201 245 L CA 0.863 55.660 54.840 -0.070 0.000 0.869 245 L CB 0.205 42.225 42.059 -0.065 0.000 1.123 245 L HN 0.683 nan 8.230 nan 0.000 0.484 246 N N 1.824 120.427 118.700 -0.162 0.000 2.381 246 N HA 0.327 5.068 4.740 0.002 0.000 0.241 246 N C 0.025 175.032 175.510 -0.837 0.000 1.279 246 N CA 0.336 53.137 53.050 -0.416 0.000 0.896 246 N CB 0.422 38.823 38.487 -0.144 0.000 1.118 246 N HN 0.792 nan 8.380 nan 0.000 0.438 247 G N -0.676 106.940 108.800 -1.975 0.000 2.705 247 G HA2 0.498 4.459 3.960 0.002 0.000 0.299 247 G HA3 0.498 4.459 3.960 0.002 0.000 0.299 247 G C -1.005 173.382 174.900 -0.856 0.000 1.315 247 G CA -0.497 43.712 45.100 -1.485 0.000 1.045 247 G HN 0.434 nan 8.290 nan 0.000 0.517 248 V N -0.837 118.905 119.914 -0.287 0.000 2.555 248 V HA 0.549 4.671 4.120 0.002 0.000 0.302 248 V C -1.018 175.309 176.094 0.388 0.000 1.038 248 V CA -0.951 61.467 62.300 0.198 0.000 0.887 248 V CB 1.826 33.830 31.823 0.301 0.000 0.991 248 V HN 0.602 nan 8.190 nan 0.000 0.434 249 D N 4.982 125.707 120.400 0.541 0.000 2.374 249 D HA 0.097 4.739 4.640 0.002 0.000 0.240 249 D C 1.308 177.808 176.300 0.333 0.000 1.229 249 D CA 0.074 54.352 54.000 0.463 0.000 0.895 249 D CB 1.281 42.315 40.800 0.389 0.000 1.046 249 D HN 0.873 nan 8.370 nan 0.000 0.498 250 E N 4.237 124.594 120.200 0.262 0.000 2.333 250 E HA -0.210 4.141 4.350 0.002 0.000 0.198 250 E C 0.578 177.250 176.600 0.119 0.000 1.007 250 E CA 0.887 57.393 56.400 0.177 0.000 0.845 250 E CB -0.053 29.724 29.700 0.128 0.000 0.766 250 E HN 0.485 nan 8.360 nan 0.000 0.507 251 K N 0.196 120.669 120.400 0.122 0.000 2.288 251 K HA -0.008 4.314 4.320 0.002 0.000 0.201 251 K C 2.159 178.781 176.600 0.036 0.000 1.048 251 K CA 1.230 57.560 56.287 0.073 0.000 0.956 251 K CB 0.016 32.568 32.500 0.085 0.000 0.746 251 K HN 0.257 nan 8.250 nan 0.000 0.461 252 I N -2.496 118.096 120.570 0.036 0.000 3.445 252 I HA 0.067 4.238 4.170 0.002 0.000 0.288 252 I C -0.313 175.634 176.117 -0.282 0.000 1.198 252 I CA 0.056 61.272 61.300 -0.140 0.000 1.417 252 I CB 0.569 38.475 38.000 -0.157 0.000 1.205 252 I HN -0.025 nan 8.210 nan 0.000 0.448 253 W N 2.405 123.729 121.300 0.041 0.000 2.313 253 W HA 0.642 5.304 4.660 0.002 0.000 0.315 253 W C -0.389 176.200 176.519 0.118 0.000 0.917 253 W CA -0.473 56.913 57.345 0.068 0.000 1.626 253 W CB 1.006 30.286 29.460 -0.300 0.000 1.574 253 W HN -0.127 nan 8.180 nan 0.000 0.395 254 S N 2.423 118.204 115.700 0.135 0.000 2.720 254 S HA 0.203 4.675 4.470 0.002 0.000 0.278 254 S C -1.715 172.613 174.600 -0.453 0.000 1.172 254 S CA -0.887 57.208 58.200 -0.176 0.000 1.019 254 S CB 2.366 65.511 63.200 -0.093 0.000 1.049 254 S HN 0.115 nan 8.310 nan 0.000 0.483 255 P HA -0.049 nan 4.420 nan 0.000 0.226 255 P C 0.637 177.584 177.300 -0.589 0.000 1.153 255 P CA 0.908 63.415 63.100 -0.987 0.000 0.777 255 P CB 0.301 30.982 31.700 -1.699 0.000 0.794 256 E N -0.032 119.915 120.200 -0.422 0.000 2.153 256 E HA -0.102 4.249 4.350 0.002 0.000 0.194 256 E C 1.698 178.208 176.600 -0.150 0.000 0.988 256 E CA 2.068 58.325 56.400 -0.240 0.000 0.811 256 E CB -0.784 28.817 29.700 -0.166 0.000 0.746 256 E HN 0.414 nan 8.360 nan 0.000 0.466 257 T N -3.096 111.376 114.554 -0.138 0.000 3.058 257 T HA 0.080 4.431 4.350 0.002 0.000 0.278 257 T C 0.283 174.941 174.700 -0.071 0.000 0.974 257 T CA -0.447 61.604 62.100 -0.082 0.000 0.893 257 T CB 0.120 68.952 68.868 -0.060 0.000 1.138 257 T HN -0.172 nan 8.240 nan 0.000 0.529 258 D N 2.105 122.458 120.400 -0.078 0.000 2.346 258 D HA 0.099 4.740 4.640 0.002 0.000 0.267 258 D C 0.917 177.193 176.300 -0.040 0.000 1.320 258 D CA -0.571 53.402 54.000 -0.045 0.000 0.951 258 D CB 0.581 41.417 40.800 0.060 0.000 1.079 258 D HN 0.017 nan 8.370 nan 0.000 0.509 259 L N 4.122 125.303 121.223 -0.069 0.000 2.362 259 L HA -0.033 4.308 4.340 0.002 0.000 0.219 259 L C 2.000 178.837 176.870 -0.055 0.000 1.134 259 L CA 0.870 55.677 54.840 -0.054 0.000 0.807 259 L CB -0.483 41.538 42.059 -0.063 0.000 0.927 259 L HN 0.576 nan 8.230 nan 0.000 0.447 260 L N -1.426 119.738 121.223 -0.098 0.000 2.552 260 L HA -0.041 4.300 4.340 0.002 0.000 0.227 260 L C 0.307 177.188 176.870 0.018 0.000 1.146 260 L CA -0.221 54.569 54.840 -0.084 0.000 0.858 260 L CB -0.123 41.791 42.059 -0.241 0.000 0.969 260 L HN 0.071 nan 8.230 nan 0.000 0.451 261 L N -0.758 120.497 121.223 0.053 0.000 2.357 261 L HA 0.290 4.631 4.340 0.002 0.000 0.273 261 L C 1.303 178.229 176.870 0.093 0.000 1.080 261 L CA 0.362 55.270 54.840 0.114 0.000 0.803 261 L CB 1.173 43.331 42.059 0.165 0.000 1.174 261 L HN -0.094 nan 8.230 nan 0.000 0.443 262 A N 1.942 124.824 122.820 0.104 0.000 1.908 262 A HA -0.069 4.252 4.320 0.002 0.000 0.218 262 A C 1.066 178.701 177.584 0.086 0.000 1.181 262 A CA 1.750 53.837 52.037 0.083 0.000 0.627 262 A CB -0.213 18.835 19.000 0.080 0.000 0.818 262 A HN 0.582 nan 8.150 nan 0.000 0.445 263 S N -1.202 114.572 115.700 0.123 0.000 2.677 263 S HA 0.557 5.028 4.470 0.002 0.000 0.283 263 S C -0.466 174.259 174.600 0.209 0.000 1.159 263 S CA -0.785 57.495 58.200 0.132 0.000 1.001 263 S CB 0.763 64.031 63.200 0.114 0.000 1.032 263 S HN 0.462 nan 8.310 nan 0.000 0.487 264 R N 2.187 122.768 120.500 0.136 0.000 2.679 264 R HA 0.557 4.899 4.340 0.002 0.000 0.269 264 R C -0.707 175.704 176.300 0.185 0.000 1.076 264 R CA -0.056 56.097 56.100 0.089 0.000 1.160 264 R CB 0.401 30.699 30.300 -0.004 0.000 1.054 264 R HN 0.740 nan 8.270 nan 0.000 0.507 265 Y N -3.191 117.098 120.300 -0.018 0.000 2.741 265 Y HA 0.523 5.074 4.550 0.002 0.000 0.339 265 Y C -1.047 174.829 175.900 -0.041 0.000 1.226 265 Y CA -1.231 56.860 58.100 -0.016 0.000 1.072 265 Y CB 1.119 39.583 38.460 0.006 0.000 1.331 265 Y HN 0.713 nan 8.280 nan 0.000 0.453 266 T N -2.055 112.583 114.554 0.140 0.000 2.864 266 T HA 0.373 4.724 4.350 0.002 0.000 0.289 266 T C 0.451 175.220 174.700 0.115 0.000 1.082 266 T CA -0.773 61.346 62.100 0.030 0.000 1.009 266 T CB 2.143 71.014 68.868 0.004 0.000 1.234 266 T HN 1.034 nan 8.240 nan 0.000 0.526 267 R N -0.123 120.405 120.500 0.047 0.000 2.200 267 R HA -0.102 4.240 4.340 0.002 0.000 0.234 267 R C 0.544 176.874 176.300 0.049 0.000 1.127 267 R CA 1.939 58.068 56.100 0.048 0.000 0.989 267 R CB -0.256 30.044 30.300 0.001 0.000 0.869 267 R HN 0.651 nan 8.270 nan 0.000 0.459 268 D N -1.059 119.367 120.400 0.043 0.000 2.398 268 D HA 0.007 4.649 4.640 0.002 0.000 0.210 268 D C 0.173 176.500 176.300 0.046 0.000 1.094 268 D CA 0.663 54.685 54.000 0.036 0.000 0.839 268 D CB 1.208 42.021 40.800 0.021 0.000 0.963 268 D HN 0.293 nan 8.370 nan 0.000 0.506 269 T N -1.575 113.022 114.554 0.071 0.000 3.584 269 T HA 0.301 4.652 4.350 0.002 0.000 0.259 269 T C 1.354 176.108 174.700 0.090 0.000 1.009 269 T CA -0.309 61.835 62.100 0.072 0.000 1.103 269 T CB -0.483 68.429 68.868 0.074 0.000 1.099 269 T HN -0.105 nan 8.240 nan 0.000 0.539 270 L N 1.452 122.719 121.223 0.072 0.000 2.362 270 L HA -0.037 4.304 4.340 0.002 0.000 0.219 270 L C 2.950 179.783 176.870 -0.062 0.000 1.134 270 L CA 1.037 55.889 54.840 0.019 0.000 0.807 270 L CB -0.265 41.818 42.059 0.040 0.000 0.927 270 L HN 0.527 nan 8.230 nan 0.000 0.447 271 E N -0.259 119.928 120.200 -0.022 0.000 2.219 271 E HA -0.292 4.059 4.350 0.002 0.000 0.198 271 E C 0.805 177.379 176.600 -0.043 0.000 0.998 271 E CA 1.649 58.030 56.400 -0.033 0.000 0.818 271 E CB -0.469 29.224 29.700 -0.012 0.000 0.741 271 E HN 0.470 nan 8.360 nan 0.000 0.477 272 D N 1.038 121.425 120.400 -0.021 0.000 2.363 272 D HA -0.043 4.599 4.640 0.002 0.000 0.220 272 D C 1.610 177.861 176.300 -0.083 0.000 0.994 272 D CA 0.615 54.618 54.000 0.005 0.000 0.890 272 D CB -0.083 40.775 40.800 0.098 0.000 0.906 272 D HN 0.354 nan 8.370 nan 0.000 0.530 273 K N 0.547 120.746 120.400 -0.335 0.000 2.366 273 K HA 0.061 4.382 4.320 0.002 0.000 0.198 273 K C 1.817 178.286 176.600 -0.218 0.000 1.044 273 K CA 0.488 56.425 56.287 -0.584 0.000 0.973 273 K CB 0.198 32.112 32.500 -0.976 0.000 0.767 273 K HN -0.028 nan 8.250 nan 0.000 0.475 274 A N 1.159 123.905 122.820 -0.123 0.000 1.972 274 A HA -0.188 4.134 4.320 0.002 0.000 0.219 274 A C 1.919 179.491 177.584 -0.019 0.000 1.169 274 A CA 1.790 53.794 52.037 -0.055 0.000 0.635 274 A CB -0.447 18.530 19.000 -0.038 0.000 0.810 274 A HN 0.458 nan 8.150 nan 0.000 0.446 275 E N 1.000 121.195 120.200 -0.008 0.000 2.110 275 E HA -0.167 4.184 4.350 0.002 0.000 0.193 275 E C 1.679 178.300 176.600 0.035 0.000 0.988 275 E CA 1.619 58.030 56.400 0.019 0.000 0.804 275 E CB -0.303 29.415 29.700 0.030 0.000 0.745 275 E HN 0.583 nan 8.360 nan 0.000 0.458 276 N N 0.547 119.270 118.700 0.039 0.000 2.166 276 N HA -0.178 4.563 4.740 0.002 0.000 0.186 276 N C 1.596 177.138 175.510 0.054 0.000 1.019 276 N CA 1.325 54.417 53.050 0.071 0.000 0.856 276 N CB -0.282 38.273 38.487 0.113 0.000 0.993 276 N HN 0.266 nan 8.380 nan 0.000 0.426 277 K N 1.343 121.758 120.400 0.026 0.000 2.025 277 K HA -0.048 4.274 4.320 0.002 0.000 0.207 277 K C 2.188 178.805 176.600 0.029 0.000 1.049 277 K CA 0.749 57.048 56.287 0.021 0.000 0.933 277 K CB 0.097 32.602 32.500 0.007 0.000 0.714 277 K HN -0.014 nan 8.250 nan 0.000 0.438 278 R N 0.673 121.190 120.500 0.028 0.000 2.083 278 R HA -0.169 4.172 4.340 0.002 0.000 0.237 278 R C 2.285 178.610 176.300 0.042 0.000 1.137 278 R CA 2.037 58.155 56.100 0.031 0.000 0.951 278 R CB -0.121 30.194 30.300 0.025 0.000 0.851 278 R HN 0.383 nan 8.270 nan 0.000 0.434 279 Q N 0.083 119.913 119.800 0.050 0.000 2.170 279 Q HA -0.173 4.169 4.340 0.002 0.000 0.203 279 Q C 2.127 178.179 176.000 0.086 0.000 0.976 279 Q CA 1.156 56.996 55.803 0.063 0.000 0.858 279 Q CB -0.086 28.693 28.738 0.069 0.000 0.907 279 Q HN 0.261 nan 8.270 nan 0.000 0.433 280 L N 0.840 122.117 121.223 0.090 0.000 2.056 280 L HA -0.180 4.162 4.340 0.002 0.000 0.207 280 L C 2.088 179.018 176.870 0.101 0.000 1.078 280 L CA 1.744 56.653 54.840 0.116 0.000 0.749 280 L CB -0.373 41.727 42.059 0.069 0.000 0.901 280 L HN 0.131 nan 8.230 nan 0.000 0.433 281 Q N -0.408 119.431 119.800 0.065 0.000 2.030 281 Q HA -0.217 4.125 4.340 0.002 0.000 0.204 281 Q C 2.293 178.325 176.000 0.054 0.000 0.986 281 Q CA 2.333 58.167 55.803 0.053 0.000 0.843 281 Q CB -0.285 28.475 28.738 0.036 0.000 0.904 281 Q HN 0.574 nan 8.270 nan 0.000 0.420 282 I N 0.585 121.185 120.570 0.050 0.000 2.163 282 I HA -0.321 3.850 4.170 0.002 0.000 0.243 282 I C 2.415 178.556 176.117 0.040 0.000 1.085 282 I CA 1.183 62.507 61.300 0.040 0.000 1.347 282 I CB -0.404 37.617 38.000 0.034 0.000 1.044 282 I HN 0.184 nan 8.210 nan 0.000 0.408 283 A N 0.216 123.072 122.820 0.060 0.000 1.933 283 A HA -0.175 4.147 4.320 0.002 0.000 0.218 283 A C 2.229 179.836 177.584 0.039 0.000 1.175 283 A CA 1.466 53.529 52.037 0.043 0.000 0.628 283 A CB -0.342 18.715 19.000 0.095 0.000 0.814 283 A HN 0.324 nan 8.150 nan 0.000 0.444 284 M N -1.720 117.937 119.600 0.094 0.000 2.541 284 M HA 0.146 4.627 4.480 0.002 0.000 0.252 284 M C 1.474 177.809 176.300 0.058 0.000 1.125 284 M CA 0.918 56.276 55.300 0.096 0.000 1.091 284 M CB -0.892 31.785 32.600 0.129 0.000 1.420 284 M HN 0.801 nan 8.290 nan 0.000 0.486 285 G N 1.681 110.508 108.800 0.045 0.000 2.137 285 G HA2 -0.221 3.740 3.960 0.002 0.000 0.237 285 G HA3 -0.221 3.740 3.960 0.002 0.000 0.237 285 G C -0.005 174.921 174.900 0.044 0.000 1.002 285 G CA -0.116 45.006 45.100 0.037 0.000 0.702 285 G HN 0.413 nan 8.290 nan 0.000 0.515 286 L N -0.287 120.965 121.223 0.048 0.000 2.421 286 L HA 0.447 4.788 4.340 0.002 0.000 0.263 286 L C 1.183 178.076 176.870 0.038 0.000 1.122 286 L CA -0.861 54.007 54.840 0.046 0.000 0.804 286 L CB 0.792 42.878 42.059 0.045 0.000 1.150 286 L HN 0.198 nan 8.230 nan 0.000 0.457 287 K N 0.994 121.415 120.400 0.035 0.000 2.484 287 K HA 0.097 4.418 4.320 0.002 0.000 0.280 287 K C -0.849 175.768 176.600 0.028 0.000 1.013 287 K CA -0.332 55.974 56.287 0.031 0.000 1.029 287 K CB 0.605 33.123 32.500 0.030 0.000 0.902 287 K HN 0.319 nan 8.250 nan 0.000 0.481 288 V N 5.295 125.225 119.914 0.027 0.000 2.387 288 V HA 0.111 4.232 4.120 0.002 0.000 0.260 288 V C -0.314 175.796 176.094 0.026 0.000 1.054 288 V CA 0.072 62.388 62.300 0.026 0.000 0.967 288 V CB 0.490 32.328 31.823 0.025 0.000 1.036 288 V HN 0.825 nan 8.190 nan 0.000 0.481 289 D N 3.285 123.702 120.400 0.028 0.000 2.688 289 D HA 0.169 4.810 4.640 0.002 0.000 0.210 289 D C 0.169 176.497 176.300 0.047 0.000 1.333 289 D CA -0.469 53.552 54.000 0.035 0.000 0.920 289 D CB 1.924 42.745 40.800 0.036 0.000 1.554 289 D HN 0.561 nan 8.370 nan 0.000 0.579 290 D N 2.209 122.642 120.400 0.056 0.000 2.349 290 D HA -0.039 4.603 4.640 0.002 0.000 0.215 290 D C 0.846 177.238 176.300 0.152 0.000 1.016 290 D CA 0.263 54.310 54.000 0.079 0.000 0.870 290 D CB 0.394 41.218 40.800 0.039 0.000 0.917 290 D HN 0.119 nan 8.370 nan 0.000 0.524 291 K N 0.198 120.685 120.400 0.146 0.000 2.426 291 K HA 0.176 4.497 4.320 0.002 0.000 0.193 291 K C 0.110 176.939 176.600 0.380 0.000 1.028 291 K CA -0.015 56.399 56.287 0.211 0.000 1.047 291 K CB 1.119 33.694 32.500 0.124 0.000 0.821 291 K HN 0.125 nan 8.250 nan 0.000 0.513 292 V N 4.061 124.102 119.914 0.212 0.000 2.513 292 V HA 0.238 4.359 4.120 0.002 0.000 0.299 292 V C -2.416 173.414 176.094 -0.440 0.000 1.035 292 V CA -2.254 60.036 62.300 -0.017 0.000 0.889 292 V CB 2.221 34.043 31.823 -0.002 0.000 0.988 292 V HN 0.001 nan 8.190 nan 0.000 0.440 293 P HA 0.183 nan 4.420 nan 0.000 0.281 293 P C -1.004 175.885 177.300 -0.686 0.000 1.252 293 P CA -0.375 61.811 63.100 -1.524 0.000 0.778 293 P CB 1.360 31.890 31.700 -1.950 0.000 0.895 294 L N 5.452 126.328 121.223 -0.579 0.000 2.264 294 L HA 0.447 4.788 4.340 0.002 0.000 0.287 294 L C -1.014 175.694 176.870 -0.270 0.000 1.039 294 L CA -0.782 53.907 54.840 -0.251 0.000 0.829 294 L CB -0.643 41.324 42.059 -0.153 0.000 1.211 294 L HN 0.142 nan 8.230 nan 0.000 0.427 295 F N 3.965 123.811 119.950 -0.174 0.000 2.385 295 F HA 0.730 5.258 4.527 0.002 0.000 0.336 295 F C 0.756 176.504 175.800 -0.087 0.000 1.100 295 F CA -0.078 57.850 58.000 -0.121 0.000 1.116 295 F CB 1.482 40.406 39.000 -0.126 0.000 1.166 295 F HN 0.640 nan 8.300 nan 0.000 0.511 296 A N 1.893 124.767 122.820 0.091 0.000 2.515 296 A HA 0.887 5.208 4.320 0.002 0.000 0.296 296 A C -1.615 175.958 177.584 -0.018 0.000 1.094 296 A CA -0.725 51.314 52.037 0.004 0.000 0.718 296 A CB 1.719 20.689 19.000 -0.050 0.000 1.307 296 A HN 0.500 nan 8.150 nan 0.000 0.408 297 V N 0.833 120.701 119.914 -0.077 0.000 2.638 297 V HA 0.581 4.702 4.120 0.002 0.000 0.306 297 V C -0.967 175.050 176.094 -0.128 0.000 1.052 297 V CA -0.466 61.770 62.300 -0.106 0.000 0.885 297 V CB 1.836 33.559 31.823 -0.168 0.000 0.999 297 V HN 0.732 nan 8.190 nan 0.000 0.424 298 V N 3.509 123.351 119.914 -0.120 0.000 2.447 298 V HA 0.830 4.952 4.120 0.002 0.000 0.292 298 V C -0.350 175.683 176.094 -0.103 0.000 1.021 298 V CA -0.115 62.113 62.300 -0.119 0.000 0.850 298 V CB 1.595 33.340 31.823 -0.129 0.000 1.005 298 V HN 0.938 nan 8.190 nan 0.000 0.426 299 S N 4.739 120.392 115.700 -0.078 0.000 2.578 299 S HA 0.463 4.934 4.470 0.002 0.000 0.285 299 S C -0.790 173.806 174.600 -0.006 0.000 1.126 299 S CA -0.904 57.265 58.200 -0.052 0.000 0.878 299 S CB 1.361 64.521 63.200 -0.067 0.000 1.091 299 S HN 0.705 nan 8.310 nan 0.000 0.450 300 R N 1.627 122.143 120.500 0.026 0.000 2.640 300 R HA 0.209 4.550 4.340 0.002 0.000 0.270 300 R C -0.709 175.618 176.300 0.045 0.000 1.024 300 R CA -0.175 55.961 56.100 0.061 0.000 1.085 300 R CB 0.082 30.426 30.300 0.073 0.000 0.963 300 R HN 0.355 nan 8.270 nan 0.000 0.426 301 L N 3.430 124.693 121.223 0.067 0.000 2.407 301 L HA 0.207 4.549 4.340 0.002 0.000 0.261 301 L C 0.131 177.049 176.870 0.081 0.000 1.108 301 L CA 0.313 55.199 54.840 0.077 0.000 0.995 301 L CB 0.344 42.462 42.059 0.099 0.000 1.349 301 L HN 0.766 nan 8.230 nan 0.000 0.423 302 T N -3.255 111.341 114.554 0.070 0.000 2.883 302 T HA 0.355 4.706 4.350 0.002 0.000 0.296 302 T C 1.111 175.846 174.700 0.058 0.000 1.117 302 T CA -0.012 62.130 62.100 0.070 0.000 1.006 302 T CB 1.420 70.343 68.868 0.091 0.000 1.191 302 T HN 0.246 nan 8.240 nan 0.000 0.508 303 S N -0.050 115.688 115.700 0.063 0.000 2.440 303 S HA -0.245 4.226 4.470 0.002 0.000 0.238 303 S C 1.881 176.525 174.600 0.073 0.000 1.010 303 S CA 1.292 59.535 58.200 0.073 0.000 0.972 303 S CB -0.835 62.410 63.200 0.075 0.000 0.774 303 S HN 0.851 nan 8.310 nan 0.000 0.501 304 Q N 1.504 121.320 119.800 0.025 0.000 2.152 304 Q HA -0.181 4.161 4.340 0.002 0.000 0.206 304 Q C 1.295 177.178 176.000 -0.195 0.000 0.985 304 Q CA 1.383 57.061 55.803 -0.208 0.000 0.863 304 Q CB -0.084 28.337 28.738 -0.528 0.000 0.904 304 Q HN 0.420 nan 8.270 nan 0.000 0.422 305 K N -0.881 119.469 120.400 -0.084 0.000 2.404 305 K HA 0.105 4.426 4.320 0.002 0.000 0.194 305 K C 0.931 177.550 176.600 0.033 0.000 1.023 305 K CA 0.733 56.989 56.287 -0.051 0.000 1.094 305 K CB 0.536 33.015 32.500 -0.036 0.000 0.841 305 K HN 0.434 nan 8.250 nan 0.000 0.523 306 G N 2.153 110.994 108.800 0.068 0.000 2.225 306 G HA2 -0.270 3.691 3.960 0.002 0.000 0.267 306 G HA3 -0.270 3.691 3.960 0.002 0.000 0.267 306 G C 0.703 175.681 174.900 0.129 0.000 1.024 306 G CA 0.358 45.528 45.100 0.116 0.000 0.784 306 G HN 0.330 nan 8.290 nan 0.000 0.507 307 L N 0.411 121.716 121.223 0.136 0.000 2.395 307 L HA 0.058 4.400 4.340 0.002 0.000 0.218 307 L C 2.627 179.634 176.870 0.228 0.000 1.130 307 L CA 1.050 56.017 54.840 0.213 0.000 0.826 307 L CB -0.311 41.896 42.059 0.246 0.000 0.941 307 L HN 0.453 nan 8.230 nan 0.000 0.451 308 D N 0.785 121.261 120.400 0.127 0.000 2.182 308 D HA -0.226 4.415 4.640 0.002 0.000 0.201 308 D C 2.061 178.377 176.300 0.028 0.000 0.986 308 D CA 1.182 55.206 54.000 0.040 0.000 0.847 308 D CB -0.403 40.417 40.800 0.033 0.000 0.942 308 D HN 0.359 nan 8.370 nan 0.000 0.467 309 L N 0.400 121.661 121.223 0.064 0.000 2.093 309 L HA -0.101 4.240 4.340 0.002 0.000 0.208 309 L C 2.785 179.661 176.870 0.010 0.000 1.085 309 L CA 0.477 55.339 54.840 0.037 0.000 0.755 309 L CB -0.380 41.716 42.059 0.061 0.000 0.904 309 L HN -0.064 nan 8.230 nan 0.000 0.435 310 V N 0.350 120.305 119.914 0.068 0.000 2.295 310 V HA -0.297 3.825 4.120 0.002 0.000 0.246 310 V C 2.478 178.600 176.094 0.046 0.000 1.049 310 V CA 1.677 64.026 62.300 0.082 0.000 1.024 310 V CB -0.397 31.561 31.823 0.225 0.000 0.648 310 V HN 0.333 nan 8.190 nan 0.000 0.447 311 L N -0.359 120.852 121.223 -0.019 0.000 2.012 311 L HA -0.231 4.110 4.340 0.002 0.000 0.210 311 L C 2.657 179.463 176.870 -0.106 0.000 1.073 311 L CA 1.864 56.587 54.840 -0.194 0.000 0.748 311 L CB -0.616 41.206 42.059 -0.395 0.000 0.891 311 L HN 0.400 nan 8.230 nan 0.000 0.431 312 E N -0.182 119.975 120.200 -0.072 0.000 2.077 312 E HA -0.223 4.128 4.350 0.002 0.000 0.193 312 E C 2.088 178.653 176.600 -0.058 0.000 0.989 312 E CA 1.243 57.613 56.400 -0.050 0.000 0.800 312 E CB -0.155 29.529 29.700 -0.026 0.000 0.746 312 E HN 0.516 nan 8.360 nan 0.000 0.452 313 A N 0.764 123.538 122.820 -0.076 0.000 2.169 313 A HA -0.021 4.301 4.320 0.002 0.000 0.212 313 A C 1.967 179.468 177.584 -0.138 0.000 1.153 313 A CA 0.134 52.103 52.037 -0.113 0.000 0.756 313 A CB -0.173 18.735 19.000 -0.153 0.000 0.813 313 A HN 0.154 nan 8.150 nan 0.000 0.471 314 L N 0.778 121.929 121.223 -0.119 0.000 2.012 314 L HA -0.060 4.282 4.340 0.002 0.000 0.210 314 L C -0.808 175.930 176.870 -0.221 0.000 1.073 314 L CA 2.419 57.165 54.840 -0.157 0.000 0.748 314 L CB -1.214 40.785 42.059 -0.100 0.000 0.891 314 L HN 0.147 nan 8.230 nan 0.000 0.431 315 P HA -0.111 nan 4.420 nan 0.000 0.215 315 P C 1.661 178.854 177.300 -0.178 0.000 1.153 315 P CA 1.813 64.805 63.100 -0.180 0.000 0.853 315 P CB -0.413 31.248 31.700 -0.065 0.000 0.788 316 G N 0.012 108.718 108.800 -0.158 0.000 2.446 316 G HA2 -0.275 3.687 3.960 0.002 0.000 0.217 316 G HA3 -0.275 3.687 3.960 0.002 0.000 0.217 316 G C 1.538 176.301 174.900 -0.229 0.000 1.168 316 G CA 0.626 45.620 45.100 -0.176 0.000 0.771 316 G HN 0.270 nan 8.290 nan 0.000 0.551 317 L N 0.023 121.107 121.223 -0.232 0.000 1.994 317 L HA -0.007 4.334 4.340 0.002 0.000 0.208 317 L C 2.879 179.631 176.870 -0.196 0.000 1.071 317 L CA 1.137 55.839 54.840 -0.230 0.000 0.745 317 L CB -0.203 41.640 42.059 -0.360 0.000 0.892 317 L HN 0.219 nan 8.230 nan 0.000 0.431 318 L N -0.256 120.823 121.223 -0.240 0.000 2.042 318 L HA -0.263 4.079 4.340 0.002 0.000 0.210 318 L C 2.575 179.326 176.870 -0.199 0.000 1.076 318 L CA 1.775 56.477 54.840 -0.229 0.000 0.749 318 L CB -0.710 41.121 42.059 -0.379 0.000 0.893 318 L HN 0.436 nan 8.230 nan 0.000 0.432 319 E N 0.319 120.389 120.200 -0.217 0.000 2.160 319 E HA -0.269 4.083 4.350 0.002 0.000 0.195 319 E C 2.016 178.457 176.600 -0.265 0.000 0.991 319 E CA 1.243 57.526 56.400 -0.195 0.000 0.810 319 E CB 0.068 29.666 29.700 -0.171 0.000 0.742 319 E HN 0.556 nan 8.360 nan 0.000 0.466 320 Q N -1.235 118.300 119.800 -0.442 0.000 2.425 320 Q HA 0.115 4.456 4.340 0.002 0.000 0.204 320 Q C 0.774 176.426 176.000 -0.580 0.000 0.933 320 Q CA 0.471 55.819 55.803 -0.758 0.000 0.939 320 Q CB 0.941 28.729 28.738 -1.585 0.000 1.044 320 Q HN 0.455 nan 8.270 nan 0.000 0.513 321 G N 0.045 108.713 108.800 -0.220 0.000 2.143 321 G HA2 -0.152 3.809 3.960 0.002 0.000 0.175 321 G HA3 -0.152 3.809 3.960 0.002 0.000 0.175 321 G C 0.148 175.159 174.900 0.185 0.000 1.004 321 G CA -0.482 44.626 45.100 0.014 0.000 0.671 321 G HN 0.467 nan 8.290 nan 0.000 0.512 322 G N -0.908 108.070 108.800 0.297 0.000 2.488 322 G HA2 0.655 4.616 3.960 0.002 0.000 0.318 322 G HA3 0.655 4.616 3.960 0.002 0.000 0.318 322 G C -0.180 174.775 174.900 0.092 0.000 1.188 322 G CA -0.433 44.822 45.100 0.260 0.000 0.944 322 G HN 0.434 nan 8.290 nan 0.000 0.495 323 Q N -1.288 118.568 119.800 0.095 0.000 2.297 323 Q HA 0.623 4.964 4.340 0.002 0.000 0.269 323 Q C -1.363 174.694 176.000 0.094 0.000 1.051 323 Q CA -0.822 55.013 55.803 0.053 0.000 0.869 323 Q CB 2.697 31.452 28.738 0.028 0.000 1.346 323 Q HN 0.350 nan 8.270 nan 0.000 0.457 324 L N 0.721 121.975 121.223 0.052 0.000 2.362 324 L HA 0.789 5.130 4.340 0.002 0.000 0.275 324 L C -1.692 175.208 176.870 0.050 0.000 0.998 324 L CA -0.389 54.487 54.840 0.061 0.000 0.820 324 L CB 1.851 43.934 42.059 0.040 0.000 1.270 324 L HN 0.726 nan 8.230 nan 0.000 0.415 325 A N 5.813 128.652 122.820 0.032 0.000 2.311 325 A HA 0.702 5.024 4.320 0.002 0.000 0.306 325 A C -1.543 176.019 177.584 -0.038 0.000 1.189 325 A CA -0.422 51.623 52.037 0.015 0.000 0.791 325 A CB 0.888 19.892 19.000 0.005 0.000 1.172 325 A HN 0.789 nan 8.150 nan 0.000 0.481 326 L N 3.229 124.421 121.223 -0.051 0.000 2.341 326 L HA 0.827 5.168 4.340 0.002 0.000 0.278 326 L C -1.482 175.350 176.870 -0.062 0.000 1.005 326 L CA -0.941 53.814 54.840 -0.142 0.000 0.818 326 L CB 1.730 43.579 42.059 -0.350 0.000 1.259 326 L HN 0.684 nan 8.230 nan 0.000 0.418 327 L N 5.185 126.364 121.223 -0.073 0.000 2.356 327 L HA 1.028 5.369 4.340 0.002 0.000 0.277 327 L C -0.434 176.419 176.870 -0.028 0.000 0.996 327 L CA 0.252 55.099 54.840 0.012 0.000 0.822 327 L CB 1.527 43.598 42.059 0.021 0.000 1.256 327 L HN 0.691 nan 8.230 nan 0.000 0.413 328 G N 2.936 111.749 108.800 0.021 0.000 2.368 328 G HA2 0.772 4.733 3.960 0.002 0.000 0.293 328 G HA3 0.772 4.733 3.960 0.002 0.000 0.293 328 G C -2.251 172.695 174.900 0.077 0.000 1.467 328 G CA -0.109 45.004 45.100 0.022 0.000 0.804 328 G HN 1.082 nan 8.290 nan 0.000 0.535 329 A N -1.114 121.763 122.820 0.095 0.000 2.574 329 A HA 1.137 5.458 4.320 0.002 0.000 0.297 329 A C 0.310 177.956 177.584 0.104 0.000 1.062 329 A CA 0.426 52.531 52.037 0.112 0.000 0.686 329 A CB 1.477 20.560 19.000 0.139 0.000 1.285 329 A HN 2.693 nan 8.150 nan 0.000 0.403 330 G N 0.354 109.208 108.800 0.090 0.000 2.530 330 G HA2 0.327 4.288 3.960 0.002 0.000 0.081 330 G HA3 0.327 4.288 3.960 0.002 0.000 0.081 330 G C -1.584 173.351 174.900 0.058 0.000 1.062 330 G CA -0.170 44.975 45.100 0.074 0.000 1.108 330 G HN 0.768 nan 8.290 nan 0.000 0.466 331 D N 2.668 123.103 120.400 0.058 0.000 2.662 331 D HA 0.231 4.872 4.640 0.002 0.000 0.237 331 D C -1.370 174.964 176.300 0.056 0.000 1.154 331 D CA -0.409 53.618 54.000 0.046 0.000 0.861 331 D CB 1.382 42.213 40.800 0.052 0.000 1.146 331 D HN 0.005 nan 8.370 nan 0.000 0.518 332 P HA -0.119 nan 4.420 nan 0.000 0.220 332 P C 1.431 178.758 177.300 0.044 0.000 1.148 332 P CA 0.393 63.518 63.100 0.042 0.000 0.803 332 P CB 0.327 32.041 31.700 0.024 0.000 0.782 333 V N -0.379 119.555 119.914 0.033 0.000 2.295 333 V HA -0.236 3.885 4.120 0.002 0.000 0.246 333 V C 2.445 178.558 176.094 0.031 0.000 1.049 333 V CA 1.680 63.993 62.300 0.022 0.000 1.024 333 V CB -1.345 30.484 31.823 0.011 0.000 0.648 333 V HN 0.063 nan 8.190 nan 0.000 0.447 334 L N -0.504 120.761 121.223 0.070 0.000 2.017 334 L HA -0.233 4.108 4.340 0.002 0.000 0.208 334 L C 2.798 179.807 176.870 0.232 0.000 1.073 334 L CA 1.742 56.669 54.840 0.144 0.000 0.745 334 L CB -0.737 41.454 42.059 0.219 0.000 0.894 334 L HN 0.354 nan 8.230 nan 0.000 0.432 335 Q N -0.293 119.617 119.800 0.184 0.000 2.077 335 Q HA -0.244 4.097 4.340 0.002 0.000 0.206 335 Q C 2.178 178.268 176.000 0.151 0.000 0.989 335 Q CA 1.603 57.513 55.803 0.178 0.000 0.853 335 Q CB -0.149 28.661 28.738 0.119 0.000 0.907 335 Q HN 0.439 nan 8.270 nan 0.000 0.418 336 E N -0.285 119.969 120.200 0.090 0.000 2.152 336 E HA -0.078 4.273 4.350 0.002 0.000 0.192 336 E C 2.079 178.697 176.600 0.030 0.000 0.983 336 E CA 1.045 57.479 56.400 0.056 0.000 0.818 336 E CB -0.337 29.383 29.700 0.032 0.000 0.758 336 E HN 0.479 nan 8.360 nan 0.000 0.467 337 G N 0.215 109.007 108.800 -0.013 0.000 2.418 337 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 337 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 337 G C 1.347 176.158 174.900 -0.149 0.000 1.158 337 G CA 0.316 45.343 45.100 -0.121 0.000 0.771 337 G HN 0.152 nan 8.290 nan 0.000 0.545 338 F N 0.490 120.465 119.950 0.042 0.000 2.206 338 F HA 0.201 4.729 4.527 0.002 0.000 0.298 338 F C 2.583 178.415 175.800 0.054 0.000 1.090 338 F CA 0.407 58.437 58.000 0.051 0.000 1.323 338 F CB -0.329 38.701 39.000 0.050 0.000 1.028 338 F HN 0.005 nan 8.300 nan 0.000 0.492 339 L N -0.521 120.825 121.223 0.206 0.000 2.042 339 L HA -0.254 4.087 4.340 0.002 0.000 0.210 339 L C 2.704 179.625 176.870 0.086 0.000 1.076 339 L CA 1.285 56.203 54.840 0.130 0.000 0.749 339 L CB -0.936 41.181 42.059 0.096 0.000 0.893 339 L HN 0.151 nan 8.230 nan 0.000 0.432 340 A N -0.193 122.659 122.820 0.052 0.000 1.902 340 A HA -0.188 4.134 4.320 0.002 0.000 0.217 340 A C 2.517 180.109 177.584 0.013 0.000 1.181 340 A CA 1.724 53.767 52.037 0.011 0.000 0.623 340 A CB -0.733 18.258 19.000 -0.016 0.000 0.818 340 A HN 0.422 nan 8.150 nan 0.000 0.443 341 A N -0.109 122.748 122.820 0.062 0.000 1.908 341 A HA 0.120 4.442 4.320 0.002 0.000 0.218 341 A C 2.506 180.217 177.584 0.211 0.000 1.181 341 A CA 2.212 54.346 52.037 0.162 0.000 0.627 341 A CB -1.017 18.101 19.000 0.197 0.000 0.818 341 A HN 1.074 nan 8.150 nan 0.000 0.445 342 A N -0.227 122.698 122.820 0.174 0.000 1.902 342 A HA 0.173 4.494 4.320 0.002 0.000 0.217 342 A C 2.502 180.139 177.584 0.089 0.000 1.181 342 A CA 2.065 54.193 52.037 0.151 0.000 0.623 342 A CB -0.992 18.088 19.000 0.132 0.000 0.818 342 A HN 1.071 nan 8.150 nan 0.000 0.443 343 A N -0.436 122.411 122.820 0.044 0.000 1.933 343 A HA -0.162 4.159 4.320 0.002 0.000 0.218 343 A C 2.010 179.557 177.584 -0.062 0.000 1.175 343 A CA 1.807 53.843 52.037 -0.002 0.000 0.628 343 A CB -0.474 18.521 19.000 -0.009 0.000 0.814 343 A HN 0.675 nan 8.150 nan 0.000 0.444 344 E N -1.586 118.529 120.200 -0.141 0.000 2.152 344 E HA -0.125 4.226 4.350 0.002 0.000 0.192 344 E C -0.389 175.925 176.600 -0.477 0.000 0.983 344 E CA 0.703 56.871 56.400 -0.386 0.000 0.818 344 E CB -0.044 29.277 29.700 -0.631 0.000 0.758 344 E HN 0.724 nan 8.360 nan 0.000 0.467 345 Y N 1.084 121.393 120.300 0.014 0.000 2.638 345 Y HA 0.344 4.895 4.550 0.002 0.000 0.367 345 Y C -2.313 173.599 175.900 0.020 0.000 1.001 345 Y CA -2.900 55.208 58.100 0.014 0.000 1.133 345 Y CB 0.745 39.212 38.460 0.012 0.000 1.199 345 Y HN 0.017 nan 8.280 nan 0.000 0.642 346 P HA 0.107 nan 4.420 nan 0.000 0.268 346 P C 1.037 178.388 177.300 0.084 0.000 1.204 346 P CA 1.213 64.362 63.100 0.082 0.000 0.768 346 P CB 1.480 33.206 31.700 0.044 0.000 0.842 347 G N 2.976 111.820 108.800 0.074 0.000 2.195 347 G HA2 -0.282 3.679 3.960 0.002 0.000 0.246 347 G HA3 -0.282 3.679 3.960 0.002 0.000 0.246 347 G C 0.793 175.731 174.900 0.063 0.000 0.984 347 G CA 0.322 45.459 45.100 0.061 0.000 0.633 347 G HN 0.551 nan 8.290 nan 0.000 0.525 348 Q N -1.294 118.555 119.800 0.082 0.000 2.471 348 Q HA 0.420 4.761 4.340 0.002 0.000 0.259 348 Q C 0.298 176.332 176.000 0.057 0.000 0.850 348 Q CA 0.734 56.570 55.803 0.056 0.000 0.981 348 Q CB 1.668 30.432 28.738 0.044 0.000 1.180 348 Q HN 0.393 nan 8.270 nan 0.000 0.571 349 V N 0.821 120.797 119.914 0.104 0.000 2.444 349 V HA 0.685 4.806 4.120 0.002 0.000 0.294 349 V C -0.212 175.951 176.094 0.114 0.000 1.022 349 V CA -0.753 61.616 62.300 0.116 0.000 0.850 349 V CB 1.454 33.389 31.823 0.187 0.000 0.992 349 V HN 0.211 nan 8.190 nan 0.000 0.426 350 G N 3.148 112.006 108.800 0.097 0.000 2.513 350 G HA2 0.696 4.657 3.960 0.002 0.000 0.317 350 G HA3 0.696 4.657 3.960 0.002 0.000 0.317 350 G C -1.510 173.448 174.900 0.097 0.000 1.277 350 G CA -0.556 44.601 45.100 0.095 0.000 0.955 350 G HN 0.555 nan 8.290 nan 0.000 0.484 351 V N 1.363 121.336 119.914 0.097 0.000 2.808 351 V HA 0.559 4.680 4.120 0.002 0.000 0.308 351 V C -0.873 175.274 176.094 0.088 0.000 1.099 351 V CA -0.759 61.596 62.300 0.092 0.000 0.920 351 V CB 2.043 33.938 31.823 0.121 0.000 1.014 351 V HN 0.802 nan 8.190 nan 0.000 0.425 352 Q N 4.350 124.210 119.800 0.101 0.000 2.303 352 Q HA 0.534 4.875 4.340 0.002 0.000 0.267 352 Q C -1.455 174.623 176.000 0.129 0.000 1.011 352 Q CA -0.347 55.511 55.803 0.092 0.000 0.740 352 Q CB 1.447 30.236 28.738 0.085 0.000 1.250 352 Q HN 0.604 nan 8.270 nan 0.000 0.458 353 I N 3.802 124.450 120.570 0.131 0.000 2.325 353 I HA 0.827 4.998 4.170 0.002 0.000 0.291 353 I C 0.745 176.990 176.117 0.213 0.000 1.019 353 I CA 0.294 61.683 61.300 0.149 0.000 1.302 353 I CB 0.266 38.340 38.000 0.124 0.000 1.401 353 I HN 0.787 nan 8.210 nan 0.000 0.485 354 G N 5.923 114.854 108.800 0.218 0.000 2.368 354 G HA2 0.039 4.000 3.960 0.002 0.000 0.302 354 G HA3 0.039 4.000 3.960 0.002 0.000 0.302 354 G C -2.125 172.845 174.900 0.117 0.000 1.329 354 G CA -0.871 44.339 45.100 0.182 0.000 0.935 354 G HN 0.369 nan 8.290 nan 0.000 0.590 355 Y N 1.820 122.000 120.300 -0.202 0.000 2.367 355 Y HA 0.680 5.231 4.550 0.002 0.000 0.342 355 Y C 0.029 175.680 175.900 -0.415 0.000 0.979 355 Y CA -0.372 57.632 58.100 -0.160 0.000 1.161 355 Y CB 0.800 39.212 38.460 -0.080 0.000 1.155 355 Y HN 0.496 nan 8.280 nan 0.000 0.503 356 H N 5.414 124.393 119.070 -0.152 0.000 3.036 356 H HA 0.092 4.649 4.556 0.002 0.000 0.295 356 H C 0.470 175.800 175.328 0.003 0.000 1.124 356 H CA -0.335 55.740 56.048 0.045 0.000 1.507 356 H CB 1.599 31.453 29.762 0.154 0.000 1.591 356 H HN 0.769 nan 8.280 nan 0.000 0.510 357 E N 3.391 123.688 120.200 0.162 0.000 2.031 357 E HA -0.121 4.231 4.350 0.002 0.000 0.193 357 E C 2.066 178.820 176.600 0.256 0.000 0.994 357 E CA 1.767 58.298 56.400 0.218 0.000 0.800 357 E CB 0.186 30.099 29.700 0.355 0.000 0.752 357 E HN 0.698 nan 8.360 nan 0.000 0.447 358 A N -0.199 122.748 122.820 0.212 0.000 1.898 358 A HA -0.130 4.191 4.320 0.002 0.000 0.216 358 A C 2.137 179.870 177.584 0.248 0.000 1.181 358 A CA 1.323 53.453 52.037 0.155 0.000 0.620 358 A CB -0.887 18.172 19.000 0.099 0.000 0.819 358 A HN 0.451 nan 8.150 nan 0.000 0.442 359 F N 2.066 122.076 119.950 0.099 0.000 2.269 359 F HA -0.147 4.381 4.527 0.002 0.000 0.301 359 F C 2.675 178.521 175.800 0.077 0.000 1.082 359 F CA 1.327 59.366 58.000 0.065 0.000 1.360 359 F CB -0.429 38.582 39.000 0.018 0.000 1.041 359 F HN 0.338 nan 8.300 nan 0.000 0.512 360 S N -1.156 114.565 115.700 0.036 0.000 2.402 360 S HA -0.221 4.250 4.470 0.002 0.000 0.229 360 S C 2.072 176.639 174.600 -0.054 0.000 1.021 360 S CA 1.353 59.512 58.200 -0.068 0.000 0.974 360 S CB -1.102 62.122 63.200 0.040 0.000 0.800 360 S HN 0.571 nan 8.310 nan 0.000 0.484 361 H N 1.569 120.595 119.070 -0.072 0.000 2.357 361 H HA 0.106 4.663 4.556 0.002 0.000 0.301 361 H C 2.471 177.748 175.328 -0.085 0.000 1.082 361 H CA 1.521 57.480 56.048 -0.147 0.000 1.342 361 H CB -0.047 29.561 29.762 -0.256 0.000 1.389 361 H HN 0.466 nan 8.280 nan 0.000 0.511 362 R N 0.255 120.786 120.500 0.052 0.000 2.115 362 R HA -0.043 4.298 4.340 0.002 0.000 0.230 362 R C 2.417 178.662 176.300 -0.091 0.000 1.111 362 R CA 0.778 56.899 56.100 0.034 0.000 0.976 362 R CB -0.030 30.352 30.300 0.137 0.000 0.870 362 R HN 0.277 nan 8.270 nan 0.000 0.445 363 I N 0.260 120.650 120.570 -0.301 0.000 2.163 363 I HA -0.275 3.896 4.170 0.002 0.000 0.240 363 I C 2.448 178.488 176.117 -0.129 0.000 1.081 363 I CA 1.087 62.214 61.300 -0.289 0.000 1.353 363 I CB -0.128 37.612 38.000 -0.433 0.000 1.054 363 I HN 0.126 nan 8.210 nan 0.000 0.407 364 M N 1.029 120.546 119.600 -0.139 0.000 2.117 364 M HA -0.104 4.377 4.480 0.002 0.000 0.262 364 M C 1.942 178.258 176.300 0.026 0.000 1.065 364 M CA 1.927 57.140 55.300 -0.144 0.000 1.114 364 M CB -0.754 31.635 32.600 -0.351 0.000 1.361 364 M HN 0.193 nan 8.290 nan 0.000 0.408 365 G N -1.981 106.899 108.800 0.132 0.000 2.650 365 G HA2 0.115 4.076 3.960 0.002 0.000 0.214 365 G HA3 0.115 4.076 3.960 0.002 0.000 0.214 365 G C 1.289 176.354 174.900 0.275 0.000 1.136 365 G CA 0.544 45.910 45.100 0.444 0.000 0.789 365 G HN 0.623 nan 8.290 nan 0.000 0.536 366 G N -0.179 108.695 108.800 0.124 0.000 2.748 366 G HA2 0.463 4.424 3.960 0.002 0.000 0.204 366 G HA3 0.463 4.424 3.960 0.002 0.000 0.204 366 G C 0.837 175.753 174.900 0.028 0.000 1.095 366 G CA 0.772 45.908 45.100 0.061 0.000 0.775 366 G HN 0.588 nan 8.290 nan 0.000 0.531 367 A N 0.670 123.499 122.820 0.016 0.000 2.386 367 A HA 0.429 4.751 4.320 0.002 0.000 0.246 367 A C 0.846 178.441 177.584 0.018 0.000 1.089 367 A CA 0.321 52.349 52.037 -0.015 0.000 0.790 367 A CB 0.401 19.380 19.000 -0.036 0.000 1.042 367 A HN 0.158 nan 8.150 nan 0.000 0.497 368 D N -0.789 119.580 120.400 -0.051 0.000 2.324 368 D HA 0.165 4.806 4.640 0.002 0.000 0.212 368 D C -0.093 176.291 176.300 0.139 0.000 0.984 368 D CA 1.092 55.127 54.000 0.059 0.000 0.885 368 D CB 0.439 41.126 40.800 -0.188 0.000 0.996 368 D HN 0.210 nan 8.370 nan 0.000 0.505 369 V N 1.343 121.200 119.914 -0.095 0.000 2.841 369 V HA 0.365 4.486 4.120 0.002 0.000 0.310 369 V C -0.827 175.262 176.094 -0.009 0.000 1.090 369 V CA -0.995 61.273 62.300 -0.053 0.000 0.930 369 V CB 2.971 34.593 31.823 -0.335 0.000 1.014 369 V HN -0.112 nan 8.190 nan 0.000 0.425 370 I N 4.299 124.893 120.570 0.041 0.000 2.362 370 I HA 0.515 4.686 4.170 0.002 0.000 0.289 370 I C -0.680 175.478 176.117 0.069 0.000 0.994 370 I CA -0.145 61.170 61.300 0.026 0.000 1.158 370 I CB 1.128 39.112 38.000 -0.027 0.000 1.315 370 I HN 0.541 nan 8.210 nan 0.000 0.451 371 L N 7.790 129.063 121.223 0.083 0.000 2.278 371 L HA 0.404 4.745 4.340 0.002 0.000 0.287 371 L C -0.561 176.343 176.870 0.056 0.000 1.072 371 L CA -0.501 54.403 54.840 0.107 0.000 0.819 371 L CB 0.941 43.063 42.059 0.106 0.000 1.176 371 L HN 0.378 nan 8.230 nan 0.000 0.435 372 V N 4.684 124.644 119.914 0.077 0.000 2.405 372 V HA 0.194 4.315 4.120 0.002 0.000 0.253 372 V C -1.945 174.203 176.094 0.090 0.000 0.963 372 V CA -0.695 61.621 62.300 0.027 0.000 1.003 372 V CB 0.904 32.698 31.823 -0.048 0.000 1.251 372 V HN 0.639 nan 8.190 nan 0.000 0.520 373 P HA 0.180 nan 4.420 nan 0.000 0.226 373 P C 0.312 177.729 177.300 0.195 0.000 1.758 373 P CA 0.054 63.357 63.100 0.339 0.000 0.896 373 P CB 0.135 32.063 31.700 0.380 0.000 1.784 374 S N 0.752 116.484 115.700 0.053 0.000 2.558 374 S HA 0.113 4.584 4.470 0.002 0.000 0.288 374 S C 1.687 176.320 174.600 0.055 0.000 1.318 374 S CA -0.274 57.926 58.200 -0.001 0.000 1.056 374 S CB 0.898 64.042 63.200 -0.093 0.000 0.853 374 S HN 0.268 nan 8.310 nan 0.000 0.505 375 R N 0.685 121.241 120.500 0.093 0.000 2.075 375 R HA 0.012 4.353 4.340 0.002 0.000 0.232 375 R C 0.228 176.768 176.300 0.399 0.000 1.126 375 R CA 1.147 57.379 56.100 0.221 0.000 0.963 375 R CB -0.093 30.369 30.300 0.271 0.000 0.858 375 R HN 0.744 nan 8.270 nan 0.000 0.435 376 F N -1.857 118.207 119.950 0.190 0.000 2.631 376 F HA 0.615 5.144 4.527 0.004 0.000 0.308 376 F C -1.248 174.595 175.800 0.072 0.000 1.097 376 F CA -1.449 56.708 58.000 0.261 0.000 0.952 376 F CB 1.924 41.218 39.000 0.489 0.000 1.307 376 F HN -0.350 nan 8.300 nan 0.000 0.450 377 E N 2.844 123.046 120.200 0.004 0.000 2.551 377 E HA 0.393 4.744 4.350 0.002 0.000 0.321 377 E C -2.554 173.832 176.600 -0.357 0.000 0.975 377 E CA -1.958 54.302 56.400 -0.233 0.000 0.784 377 E CB 1.680 31.266 29.700 -0.191 0.000 1.493 377 E HN 0.293 nan 8.360 nan 0.000 0.385 378 P HA -0.184 nan 4.420 nan 0.000 0.216 378 P C 0.706 177.792 177.300 -0.357 0.000 1.157 378 P CA 1.215 63.752 63.100 -0.939 0.000 0.880 378 P CB 0.333 31.640 31.700 -0.655 0.000 0.791 379 C N -4.155 114.993 119.300 -0.253 0.000 3.071 379 C HA 0.650 5.111 4.460 0.002 0.000 0.408 379 C C 0.325 175.165 174.990 -0.250 0.000 1.708 379 C CA 1.007 59.901 59.018 -0.208 0.000 2.195 379 C CB 0.261 27.908 27.740 -0.155 0.000 2.436 379 C HN 0.456 nan 8.230 nan 0.000 0.572 380 G N 1.514 110.162 108.800 -0.253 0.000 3.307 380 G HA2 -0.081 3.880 3.960 0.002 0.000 0.686 380 G HA3 -0.081 3.880 3.960 0.002 0.000 0.686 380 G C -0.291 174.359 174.900 -0.417 0.000 0.983 380 G CA 0.067 44.986 45.100 -0.301 0.000 0.804 380 G HN 0.670 nan 8.290 nan 0.000 0.531 381 L N 1.766 122.676 121.223 -0.521 0.000 2.500 381 L HA 0.085 4.427 4.340 0.002 0.000 0.219 381 L C 3.071 179.180 176.870 -1.269 0.000 1.057 381 L CA 1.130 55.443 54.840 -0.878 0.000 0.854 381 L CB -0.337 41.232 42.059 -0.817 0.000 1.078 381 L HN 0.846 nan 8.230 nan 0.000 0.480 382 T N -1.784 112.265 114.554 -0.843 0.000 2.759 382 T HA -0.262 4.089 4.350 0.002 0.000 0.269 382 T C 1.811 176.216 174.700 -0.492 0.000 1.042 382 T CA 1.450 63.155 62.100 -0.658 0.000 1.140 382 T CB -0.310 68.346 68.868 -0.354 0.000 0.864 382 T HN 0.364 nan 8.240 nan 0.000 0.455 383 Q N 1.737 121.284 119.800 -0.423 0.000 2.172 383 Q HA 0.032 4.373 4.340 0.002 0.000 0.200 383 Q C 2.331 178.140 176.000 -0.319 0.000 0.964 383 Q CA 1.039 56.664 55.803 -0.297 0.000 0.855 383 Q CB -0.765 27.828 28.738 -0.242 0.000 0.918 383 Q HN 0.589 nan 8.270 nan 0.000 0.444 384 L N -0.131 120.793 121.223 -0.498 0.000 2.083 384 L HA -0.158 4.183 4.340 0.002 0.000 0.209 384 L C 2.477 179.258 176.870 -0.149 0.000 1.083 384 L CA 1.292 55.851 54.840 -0.468 0.000 0.752 384 L CB -0.803 40.831 42.059 -0.709 0.000 0.899 384 L HN 0.092 nan 8.230 nan 0.000 0.433 385 Y N 0.495 120.614 120.300 -0.302 0.000 2.200 385 Y HA -0.076 4.476 4.550 0.002 0.000 0.290 385 Y C 2.656 178.535 175.900 -0.036 0.000 1.137 385 Y CA 0.625 58.574 58.100 -0.251 0.000 1.163 385 Y CB -1.588 36.401 38.460 -0.786 0.000 0.988 385 Y HN 0.077 nan 8.280 nan 0.000 0.518 386 G N 0.287 109.102 108.800 0.026 0.000 2.446 386 G HA2 -0.228 3.733 3.960 0.002 0.000 0.217 386 G HA3 -0.228 3.733 3.960 0.002 0.000 0.217 386 G C 1.823 176.800 174.900 0.129 0.000 1.168 386 G CA 1.139 46.279 45.100 0.067 0.000 0.771 386 G HN 0.352 nan 8.290 nan 0.000 0.551 387 L N 0.223 121.490 121.223 0.073 0.000 1.990 387 L HA -0.155 4.186 4.340 0.002 0.000 0.213 387 L C 2.787 179.743 176.870 0.143 0.000 1.072 387 L CA 1.913 56.803 54.840 0.085 0.000 0.755 387 L CB -0.398 41.730 42.059 0.114 0.000 0.889 387 L HN 0.227 nan 8.230 nan 0.000 0.432 388 K N -0.280 120.248 120.400 0.213 0.000 2.103 388 K HA -0.207 4.114 4.320 0.002 0.000 0.207 388 K C 1.719 178.401 176.600 0.136 0.000 1.048 388 K CA 1.664 58.062 56.287 0.186 0.000 0.930 388 K CB -0.326 32.332 32.500 0.263 0.000 0.716 388 K HN 0.295 nan 8.250 nan 0.000 0.444 389 Y N -0.649 119.728 120.300 0.128 0.000 2.466 389 Y HA 0.185 4.736 4.550 0.002 0.000 0.272 389 Y C 1.171 177.241 175.900 0.285 0.000 1.169 389 Y CA 0.268 58.483 58.100 0.192 0.000 1.285 389 Y CB 0.734 39.326 38.460 0.221 0.000 1.078 389 Y HN 0.305 nan 8.280 nan 0.000 0.523 390 G N 1.186 110.157 108.800 0.284 0.000 2.176 390 G HA2 -0.307 3.655 3.960 0.002 0.000 0.252 390 G HA3 -0.307 3.655 3.960 0.002 0.000 0.252 390 G C 0.216 175.244 174.900 0.214 0.000 1.024 390 G CA 0.578 45.805 45.100 0.212 0.000 0.755 390 G HN 0.408 nan 8.290 nan 0.000 0.507 391 T N -0.021 114.657 114.554 0.207 0.000 2.853 391 T HA 0.619 4.970 4.350 0.002 0.000 0.317 391 T C 0.599 175.348 174.700 0.082 0.000 1.059 391 T CA -0.887 61.314 62.100 0.169 0.000 0.954 391 T CB 0.447 69.410 68.868 0.158 0.000 0.994 391 T HN 0.517 nan 8.240 nan 0.000 0.479 392 L N 6.900 128.152 121.223 0.048 0.000 2.513 392 L HA 0.300 4.641 4.340 0.002 0.000 0.272 392 L C -1.788 175.078 176.870 -0.006 0.000 1.187 392 L CA -1.749 53.036 54.840 -0.093 0.000 0.895 392 L CB 0.164 42.043 42.059 -0.300 0.000 1.147 392 L HN 0.477 nan 8.230 nan 0.000 0.483 393 P HA 0.159 nan 4.420 nan 0.000 0.279 393 P C -0.915 176.450 177.300 0.108 0.000 1.239 393 P CA -0.366 62.739 63.100 0.009 0.000 0.789 393 P CB 1.529 33.195 31.700 -0.057 0.000 0.933 394 L N 4.780 126.125 121.223 0.203 0.000 2.318 394 L HA 0.486 4.827 4.340 0.002 0.000 0.277 394 L C -0.444 176.587 176.870 0.269 0.000 1.008 394 L CA -0.772 54.261 54.840 0.322 0.000 0.846 394 L CB 1.045 43.321 42.059 0.362 0.000 1.220 394 L HN 0.215 nan 8.230 nan 0.000 0.423 395 V N 1.763 121.815 119.914 0.230 0.000 3.001 395 V HA 0.621 4.743 4.120 0.002 0.000 0.314 395 V C -0.500 175.514 176.094 -0.134 0.000 1.099 395 V CA -1.047 61.310 62.300 0.095 0.000 0.989 395 V CB 1.871 33.676 31.823 -0.028 0.000 1.040 395 V HN 0.827 nan 8.190 nan 0.000 0.434 396 R N 1.430 121.664 120.500 -0.443 0.000 2.357 396 R HA 0.404 4.745 4.340 0.002 0.000 0.296 396 R C 0.246 176.318 176.300 -0.380 0.000 1.052 396 R CA -0.638 54.924 56.100 -0.897 0.000 0.988 396 R CB 0.797 30.637 30.300 -0.767 0.000 1.025 396 R HN 0.878 nan 8.270 nan 0.000 0.469 397 R N 2.653 122.968 120.500 -0.308 0.000 2.853 397 R HA 0.012 4.353 4.340 0.002 0.000 0.238 397 R C -0.955 175.288 176.300 -0.095 0.000 1.538 397 R CA 0.512 56.523 56.100 -0.148 0.000 1.166 397 R CB -0.030 30.214 30.300 -0.093 0.000 1.201 397 R HN 0.495 nan 8.270 nan 0.000 0.606 398 T N 1.329 115.831 114.554 -0.086 0.000 2.894 398 T HA 0.526 4.877 4.350 0.002 0.000 0.309 398 T C 0.235 174.892 174.700 -0.071 0.000 1.208 398 T CA 0.416 62.492 62.100 -0.041 0.000 1.016 398 T CB 1.321 70.233 68.868 0.073 0.000 1.192 398 T HN 0.748 nan 8.240 nan 0.000 0.491 399 G N 2.588 111.332 108.800 -0.094 0.000 2.594 399 G HA2 -0.217 3.744 3.960 0.002 0.000 0.297 399 G HA3 -0.217 3.744 3.960 0.002 0.000 0.297 399 G C 1.250 176.097 174.900 -0.088 0.000 1.273 399 G CA 0.657 45.717 45.100 -0.067 0.000 0.974 399 G HN 1.677 nan 8.290 nan 0.000 0.552 400 G N -0.447 108.281 108.800 -0.121 0.000 2.471 400 G HA2 0.147 4.108 3.960 0.002 0.000 0.219 400 G HA3 0.147 4.108 3.960 0.002 0.000 0.219 400 G C 1.918 176.721 174.900 -0.161 0.000 1.125 400 G CA 1.379 46.395 45.100 -0.141 0.000 0.775 400 G HN 0.766 nan 8.290 nan 0.000 0.548 401 L N 0.662 121.791 121.223 -0.157 0.000 2.083 401 L HA -0.068 4.273 4.340 0.002 0.000 0.209 401 L C 3.318 180.118 176.870 -0.117 0.000 1.083 401 L CA 1.067 55.818 54.840 -0.150 0.000 0.752 401 L CB -0.505 41.470 42.059 -0.139 0.000 0.899 401 L HN 0.254 nan 8.230 nan 0.000 0.433 402 A N -0.330 122.429 122.820 -0.101 0.000 1.972 402 A HA -0.204 4.118 4.320 0.002 0.000 0.219 402 A C 1.877 179.421 177.584 -0.066 0.000 1.169 402 A CA 1.840 53.829 52.037 -0.079 0.000 0.635 402 A CB -0.390 18.567 19.000 -0.073 0.000 0.810 402 A HN 0.369 nan 8.150 nan 0.000 0.446 403 D N -1.187 119.169 120.400 -0.073 0.000 2.347 403 D HA -0.028 4.614 4.640 0.002 0.000 0.213 403 D C 1.723 178.009 176.300 -0.023 0.000 0.985 403 D CA 1.685 55.656 54.000 -0.049 0.000 0.879 403 D CB 0.133 40.901 40.800 -0.052 0.000 0.919 403 D HN 0.657 nan 8.370 nan 0.000 0.526 404 T N -3.224 111.298 114.554 -0.054 0.000 2.958 404 T HA 0.222 4.574 4.350 0.002 0.000 0.256 404 T C 0.596 175.297 174.700 0.002 0.000 0.983 404 T CA -0.217 61.878 62.100 -0.009 0.000 0.924 404 T CB 0.578 69.310 68.868 -0.227 0.000 1.136 404 T HN -0.219 nan 8.240 nan 0.000 0.506 405 V N 2.047 121.928 119.914 -0.055 0.000 2.513 405 V HA 0.664 4.785 4.120 0.002 0.000 0.299 405 V C -0.432 175.622 176.094 -0.067 0.000 1.035 405 V CA -0.739 61.520 62.300 -0.068 0.000 0.889 405 V CB 1.782 33.551 31.823 -0.091 0.000 0.988 405 V HN 0.332 nan 8.190 nan 0.000 0.440 406 S N 2.532 118.180 115.700 -0.086 0.000 2.456 406 S HA 0.345 4.816 4.470 0.002 0.000 0.316 406 S C -0.481 174.055 174.600 -0.107 0.000 1.089 406 S CA -0.505 57.647 58.200 -0.081 0.000 1.101 406 S CB 1.234 64.388 63.200 -0.077 0.000 0.995 406 S HN 0.914 nan 8.310 nan 0.000 0.468 407 D N 0.998 121.359 120.400 -0.064 0.000 2.382 407 D HA 0.037 4.679 4.640 0.002 0.000 0.240 407 D C -0.161 176.101 176.300 -0.062 0.000 1.146 407 D CA -0.397 53.575 54.000 -0.048 0.000 0.897 407 D CB 0.609 41.422 40.800 0.023 0.000 1.197 407 D HN 0.491 nan 8.370 nan 0.000 0.432 408 C N 3.557 122.820 119.300 -0.062 0.000 3.247 408 C HA 0.261 4.722 4.460 0.002 0.000 0.573 408 C C 0.627 175.653 174.990 0.061 0.000 1.106 408 C CA -0.409 58.595 59.018 -0.022 0.000 1.209 408 C CB -2.704 25.032 27.740 -0.008 0.000 1.460 408 C HN 0.471 nan 8.230 nan 0.000 0.634 409 S N 0.188 115.916 115.700 0.047 0.000 2.681 409 S HA 0.486 4.957 4.470 0.002 0.000 0.270 409 S C 1.135 175.768 174.600 0.055 0.000 1.209 409 S CA -0.716 57.519 58.200 0.059 0.000 0.988 409 S CB 0.729 63.958 63.200 0.048 0.000 1.006 409 S HN 0.465 nan 8.310 nan 0.000 0.558 410 L N 0.587 121.841 121.223 0.053 0.000 1.989 410 L HA -0.186 4.156 4.340 0.002 0.000 0.211 410 L C 2.695 179.589 176.870 0.039 0.000 1.071 410 L CA 1.933 56.800 54.840 0.045 0.000 0.749 410 L CB -0.982 41.100 42.059 0.038 0.000 0.890 410 L HN 0.716 nan 8.230 nan 0.000 0.431 411 E N -0.097 120.123 120.200 0.034 0.000 2.077 411 E HA -0.176 4.175 4.350 0.002 0.000 0.193 411 E C 1.868 178.487 176.600 0.033 0.000 0.989 411 E CA 1.077 57.495 56.400 0.029 0.000 0.800 411 E CB -0.427 29.286 29.700 0.022 0.000 0.746 411 E HN 0.385 nan 8.360 nan 0.000 0.452 412 N N 0.254 118.973 118.700 0.031 0.000 2.270 412 N HA -0.030 4.711 4.740 0.002 0.000 0.181 412 N C 1.725 177.271 175.510 0.061 0.000 1.016 412 N CA 0.663 53.728 53.050 0.024 0.000 0.870 412 N CB -0.143 38.343 38.487 -0.001 0.000 0.979 412 N HN 0.168 nan 8.380 nan 0.000 0.431 413 L N 0.450 121.727 121.223 0.089 0.000 2.017 413 L HA -0.101 4.240 4.340 0.002 0.000 0.208 413 L C 2.337 179.313 176.870 0.178 0.000 1.073 413 L CA 1.270 56.216 54.840 0.177 0.000 0.745 413 L CB -0.490 41.641 42.059 0.119 0.000 0.894 413 L HN 0.119 nan 8.230 nan 0.000 0.432 414 A N -0.464 122.407 122.820 0.084 0.000 1.930 414 A HA -0.202 4.119 4.320 0.002 0.000 0.217 414 A C 1.725 179.355 177.584 0.077 0.000 1.175 414 A CA 1.787 53.856 52.037 0.054 0.000 0.627 414 A CB -0.455 18.560 19.000 0.025 0.000 0.815 414 A HN 0.347 nan 8.150 nan 0.000 0.443 415 D N -0.693 119.749 120.400 0.070 0.000 2.363 415 D HA 0.214 4.856 4.640 0.002 0.000 0.226 415 D C 1.334 177.679 176.300 0.074 0.000 1.020 415 D CA 1.046 55.079 54.000 0.055 0.000 0.892 415 D CB -0.363 40.452 40.800 0.025 0.000 0.900 415 D HN 0.578 nan 8.370 nan 0.000 0.531 416 G N 0.399 109.293 108.800 0.157 0.000 2.249 416 G HA2 -0.288 3.673 3.960 0.002 0.000 0.273 416 G HA3 -0.288 3.673 3.960 0.002 0.000 0.273 416 G C 0.860 175.709 174.900 -0.085 0.000 1.036 416 G CA 0.448 45.622 45.100 0.123 0.000 0.824 416 G HN 0.380 nan 8.290 nan 0.000 0.504 417 V N -0.429 119.449 119.914 -0.059 0.000 3.612 417 V HA 0.553 4.674 4.120 0.002 0.000 0.268 417 V C 1.882 177.905 176.094 -0.118 0.000 1.365 417 V CA 0.964 63.208 62.300 -0.093 0.000 1.044 417 V CB 0.293 32.086 31.823 -0.051 0.000 0.820 417 V HN 1.162 nan 8.190 nan 0.000 0.444 418 A N 0.770 123.526 122.820 -0.107 0.000 2.540 418 A HA 0.374 4.695 4.320 0.002 0.000 0.239 418 A C 1.098 178.546 177.584 -0.227 0.000 1.061 418 A CA 0.965 52.920 52.037 -0.137 0.000 0.758 418 A CB 0.166 19.117 19.000 -0.081 0.000 0.991 418 A HN 0.750 nan 8.150 nan 0.000 0.502 419 S N 0.825 116.373 115.700 -0.253 0.000 2.820 419 S HA 0.547 5.018 4.470 0.002 0.000 0.265 419 S C 0.547 174.914 174.600 -0.387 0.000 1.043 419 S CA 0.500 58.528 58.200 -0.286 0.000 1.245 419 S CB -0.229 62.860 63.200 -0.185 0.000 1.187 419 S HN 2.151 nan 8.310 nan 0.000 0.673 420 G N 0.519 109.010 108.800 -0.515 0.000 2.428 420 G HA2 0.533 4.495 3.960 0.002 0.000 0.305 420 G HA3 0.533 4.495 3.960 0.002 0.000 0.305 420 G C -2.158 172.231 174.900 -0.852 0.000 1.260 420 G CA -0.822 43.845 45.100 -0.723 0.000 0.853 420 G HN 0.200 nan 8.290 nan 0.000 0.480 421 F N -0.152 119.780 119.950 -0.029 0.000 2.507 421 F HA 0.695 5.223 4.527 0.002 0.000 0.325 421 F C 0.032 175.878 175.800 0.076 0.000 1.116 421 F CA -0.984 57.033 58.000 0.029 0.000 0.930 421 F CB 2.702 41.736 39.000 0.057 0.000 1.146 421 F HN 0.255 nan 8.300 nan 0.000 0.447 422 V N 3.822 123.882 119.914 0.243 0.000 2.588 422 V HA 0.551 4.672 4.120 0.002 0.000 0.304 422 V C -0.622 175.615 176.094 0.239 0.000 1.042 422 V CA -0.995 61.403 62.300 0.163 0.000 0.877 422 V CB 1.714 33.562 31.823 0.041 0.000 0.996 422 V HN 0.634 nan 8.190 nan 0.000 0.425 423 F N 1.122 121.115 119.950 0.072 0.000 2.579 423 F HA 0.767 5.295 4.527 0.002 0.000 0.324 423 F C 0.768 176.615 175.800 0.078 0.000 1.058 423 F CA -0.783 57.257 58.000 0.067 0.000 0.944 423 F CB 1.582 40.610 39.000 0.047 0.000 1.245 423 F HN 0.322 nan 8.300 nan 0.000 0.477 424 E N 0.178 120.444 120.200 0.109 0.000 2.127 424 E HA 0.070 4.422 4.350 0.002 0.000 0.191 424 E C -0.529 176.101 176.600 0.050 0.000 0.964 424 E CA 0.763 57.179 56.400 0.027 0.000 0.832 424 E CB -0.001 29.763 29.700 0.107 0.000 0.790 424 E HN 0.632 nan 8.360 nan 0.000 0.465 425 D N 0.335 120.879 120.400 0.239 0.000 2.198 425 D HA 0.204 4.845 4.640 0.002 0.000 0.247 425 D C -0.555 175.949 176.300 0.340 0.000 1.010 425 D CA -0.378 53.763 54.000 0.236 0.000 0.880 425 D CB 1.660 42.603 40.800 0.238 0.000 1.209 425 D HN -0.299 nan 8.370 nan 0.000 0.451 426 S N 1.544 117.391 115.700 0.244 0.000 4.175 426 S HA 0.168 4.639 4.470 0.002 0.000 0.193 426 S C 0.037 174.770 174.600 0.223 0.000 1.373 426 S CA -0.512 57.847 58.200 0.265 0.000 0.908 426 S CB -1.128 62.180 63.200 0.179 0.000 1.547 426 S HN 0.470 nan 8.310 nan 0.000 0.440 427 N N -0.943 117.908 118.700 0.252 0.000 2.610 427 N HA 0.608 5.349 4.740 0.002 0.000 0.264 427 N C 0.358 175.946 175.510 0.130 0.000 1.348 427 N CA -0.665 52.489 53.050 0.173 0.000 0.819 427 N CB 0.541 39.129 38.487 0.167 0.000 1.521 427 N HN -0.048 nan 8.380 nan 0.000 0.497 428 A N -0.225 122.646 122.820 0.085 0.000 1.969 428 A HA -0.079 4.242 4.320 0.002 0.000 0.218 428 A C 1.609 179.200 177.584 0.012 0.000 1.169 428 A CA 1.076 53.118 52.037 0.008 0.000 0.635 428 A CB -1.196 17.809 19.000 0.009 0.000 0.810 428 A HN 0.818 nan 8.150 nan 0.000 0.445 429 W N 0.509 121.777 121.300 -0.052 0.000 2.355 429 W HA -0.167 4.494 4.660 0.002 0.000 0.309 429 W C 2.645 179.132 176.519 -0.052 0.000 1.206 429 W CA 2.012 59.331 57.345 -0.045 0.000 1.284 429 W CB -0.269 29.183 29.460 -0.012 0.000 1.145 429 W HN 0.268 nan 8.180 nan 0.000 0.502 430 S N 0.196 116.053 115.700 0.262 0.000 2.368 430 S HA -0.224 4.248 4.470 0.002 0.000 0.224 430 S C 1.929 176.351 174.600 -0.297 0.000 1.029 430 S CA 1.518 59.797 58.200 0.131 0.000 0.988 430 S CB -0.862 62.609 63.200 0.451 0.000 0.838 430 S HN 0.300 nan 8.310 nan 0.000 0.462 431 L N 1.651 122.517 121.223 -0.595 0.000 2.042 431 L HA 0.015 4.357 4.340 0.002 0.000 0.210 431 L C 2.066 178.578 176.870 -0.597 0.000 1.076 431 L CA 1.765 55.952 54.840 -1.089 0.000 0.749 431 L CB -0.710 40.871 42.059 -0.796 0.000 0.893 431 L HN 0.399 nan 8.230 nan 0.000 0.432 432 L N -1.143 119.814 121.223 -0.443 0.000 2.141 432 L HA -0.129 4.212 4.340 0.002 0.000 0.209 432 L C 2.687 179.311 176.870 -0.409 0.000 1.094 432 L CA 0.449 55.061 54.840 -0.379 0.000 0.763 432 L CB -0.477 41.383 42.059 -0.332 0.000 0.908 432 L HN 0.226 nan 8.230 nan 0.000 0.437 433 R N 0.093 120.255 120.500 -0.565 0.000 2.081 433 R HA -0.085 4.256 4.340 0.002 0.000 0.235 433 R C 2.257 178.424 176.300 -0.221 0.000 1.131 433 R CA 1.439 57.264 56.100 -0.460 0.000 0.960 433 R CB -1.074 28.858 30.300 -0.614 0.000 0.856 433 R HN 0.332 nan 8.270 nan 0.000 0.436 434 A N 0.778 123.492 122.820 -0.177 0.000 1.930 434 A HA -0.063 4.258 4.320 0.002 0.000 0.217 434 A C 2.330 179.829 177.584 -0.142 0.000 1.175 434 A CA 0.995 53.002 52.037 -0.050 0.000 0.627 434 A CB -0.447 18.614 19.000 0.102 0.000 0.815 434 A HN 0.199 nan 8.150 nan 0.000 0.443 435 I N -1.136 119.337 120.570 -0.161 0.000 2.208 435 I HA -0.252 3.920 4.170 0.002 0.000 0.245 435 I C 2.802 178.954 176.117 0.060 0.000 1.097 435 I CA 1.183 62.427 61.300 -0.093 0.000 1.363 435 I CB -0.300 37.604 38.000 -0.161 0.000 1.051 435 I HN 0.255 nan 8.210 nan 0.000 0.413 436 R N 0.862 121.375 120.500 0.022 0.000 2.081 436 R HA -0.168 4.174 4.340 0.002 0.000 0.235 436 R C 2.349 178.698 176.300 0.082 0.000 1.131 436 R CA 1.436 57.593 56.100 0.095 0.000 0.960 436 R CB -0.505 29.773 30.300 -0.036 0.000 0.856 436 R HN 0.303 nan 8.270 nan 0.000 0.436 437 R N 0.023 120.514 120.500 -0.015 0.000 2.113 437 R HA -0.194 4.147 4.340 0.002 0.000 0.244 437 R C 2.121 178.363 176.300 -0.097 0.000 1.142 437 R CA 2.048 58.151 56.100 0.006 0.000 0.953 437 R CB -0.342 29.998 30.300 0.067 0.000 0.860 437 R HN 0.259 nan 8.270 nan 0.000 0.438 438 A N 0.009 122.530 122.820 -0.499 0.000 1.883 438 A HA -0.169 4.152 4.320 0.002 0.000 0.217 438 A C 2.043 179.644 177.584 0.029 0.000 1.186 438 A CA 1.492 53.147 52.037 -0.637 0.000 0.624 438 A CB -0.823 17.707 19.000 -0.783 0.000 0.822 438 A HN 0.418 nan 8.150 nan 0.000 0.444 439 F N -0.284 119.719 119.950 0.088 0.000 2.216 439 F HA -0.151 4.377 4.527 0.002 0.000 0.300 439 F C 2.388 178.315 175.800 0.212 0.000 1.085 439 F CA 1.428 59.518 58.000 0.151 0.000 1.326 439 F CB -0.273 38.763 39.000 0.060 0.000 1.027 439 F HN 0.040 nan 8.300 nan 0.000 0.497 440 V N -0.378 119.735 119.914 0.332 0.000 2.358 440 V HA -0.258 3.863 4.120 0.002 0.000 0.246 440 V C 2.230 178.508 176.094 0.306 0.000 1.047 440 V CA 1.400 63.858 62.300 0.264 0.000 1.035 440 V CB -0.589 31.346 31.823 0.186 0.000 0.658 440 V HN 0.247 nan 8.190 nan 0.000 0.452 441 L N -0.411 121.047 121.223 0.391 0.000 2.083 441 L HA -0.159 4.182 4.340 0.002 0.000 0.209 441 L C 2.163 179.407 176.870 0.623 0.000 1.083 441 L CA 1.922 57.061 54.840 0.498 0.000 0.752 441 L CB -0.662 41.766 42.059 0.613 0.000 0.899 441 L HN 0.530 nan 8.230 nan 0.000 0.433 442 W N -0.015 121.535 121.300 0.416 0.000 2.363 442 W HA -0.230 4.431 4.660 0.002 0.000 0.296 442 W C 2.351 178.883 176.519 0.022 0.000 1.212 442 W CA 1.672 59.037 57.345 0.033 0.000 1.260 442 W CB -0.287 29.016 29.460 -0.261 0.000 1.131 442 W HN 0.517 nan 8.180 nan 0.000 0.530 443 S N 0.962 116.789 115.700 0.212 0.000 2.603 443 S HA 0.008 4.479 4.470 0.002 0.000 0.229 443 S C 0.679 175.294 174.600 0.026 0.000 0.972 443 S CA 0.301 58.556 58.200 0.091 0.000 0.935 443 S CB -0.334 62.960 63.200 0.157 0.000 0.769 443 S HN 0.144 nan 8.310 nan 0.000 0.536 444 R N 0.960 121.493 120.500 0.055 0.000 2.477 444 R HA 0.302 4.643 4.340 0.002 0.000 0.285 444 R C -2.716 173.601 176.300 0.029 0.000 1.415 444 R CA -1.781 54.344 56.100 0.043 0.000 1.446 444 R CB 0.691 31.046 30.300 0.091 0.000 1.110 444 R HN 0.210 nan 8.270 nan 0.000 0.590 445 P HA -0.201 nan 4.420 nan 0.000 0.218 445 P C 1.542 178.848 177.300 0.011 0.000 1.148 445 P CA 1.435 64.449 63.100 -0.143 0.000 0.822 445 P CB 0.327 31.887 31.700 -0.234 0.000 0.784 446 S N -1.622 114.089 115.700 0.019 0.000 2.461 446 S HA -0.030 4.442 4.470 0.002 0.000 0.228 446 S C 1.912 176.573 174.600 0.103 0.000 1.005 446 S CA 0.485 58.715 58.200 0.049 0.000 0.942 446 S CB -1.271 61.934 63.200 0.008 0.000 0.776 446 S HN 0.045 nan 8.310 nan 0.000 0.514 447 L N -0.148 121.142 121.223 0.113 0.000 2.072 447 L HA 0.027 4.369 4.340 0.002 0.000 0.205 447 L C 2.647 179.666 176.870 0.248 0.000 1.079 447 L CA 1.232 56.167 54.840 0.158 0.000 0.752 447 L CB -0.419 41.716 42.059 0.127 0.000 0.906 447 L HN 0.538 nan 8.230 nan 0.000 0.436 448 W N 1.367 122.712 121.300 0.075 0.000 2.335 448 W HA -0.308 4.354 4.660 0.002 0.000 0.311 448 W C 2.630 179.187 176.519 0.064 0.000 1.213 448 W CA 1.977 59.369 57.345 0.078 0.000 1.274 448 W CB -0.220 29.243 29.460 0.005 0.000 1.148 448 W HN 0.145 nan 8.180 nan 0.000 0.498 449 R N 0.321 121.011 120.500 0.317 0.000 2.096 449 R HA -0.210 4.131 4.340 0.002 0.000 0.235 449 R C 2.351 178.740 176.300 0.150 0.000 1.127 449 R CA 1.999 58.227 56.100 0.212 0.000 0.968 449 R CB -1.859 28.532 30.300 0.152 0.000 0.861 449 R HN 0.156 nan 8.270 nan 0.000 0.440 450 F N 0.009 119.965 119.950 0.009 0.000 2.126 450 F HA -0.166 4.362 4.527 0.002 0.000 0.299 450 F C 1.790 177.548 175.800 -0.069 0.000 1.096 450 F CA 1.712 59.698 58.000 -0.024 0.000 1.255 450 F CB -0.400 38.589 39.000 -0.018 0.000 0.997 450 F HN -0.106 nan 8.300 nan 0.000 0.479 451 V N 0.397 120.263 119.914 -0.079 0.000 2.358 451 V HA -0.309 3.812 4.120 0.002 0.000 0.246 451 V C 2.351 178.262 176.094 -0.306 0.000 1.047 451 V CA 2.155 64.281 62.300 -0.291 0.000 1.035 451 V CB -0.877 30.756 31.823 -0.317 0.000 0.658 451 V HN 0.391 nan 8.190 nan 0.000 0.452 452 Q N -0.214 119.452 119.800 -0.224 0.000 2.061 452 Q HA -0.238 4.103 4.340 0.002 0.000 0.204 452 Q C 2.515 178.459 176.000 -0.092 0.000 0.984 452 Q CA 1.886 57.618 55.803 -0.118 0.000 0.846 452 Q CB -0.225 28.534 28.738 0.036 0.000 0.902 452 Q HN 0.588 nan 8.270 nan 0.000 0.421 453 R N -0.037 120.402 120.500 -0.102 0.000 2.115 453 R HA -0.159 4.182 4.340 0.002 0.000 0.230 453 R C 2.264 178.461 176.300 -0.173 0.000 1.111 453 R CA 1.203 57.241 56.100 -0.103 0.000 0.976 453 R CB -0.112 30.141 30.300 -0.079 0.000 0.870 453 R HN 0.171 nan 8.270 nan 0.000 0.445 454 Q N 1.019 120.648 119.800 -0.284 0.000 2.049 454 Q HA -0.034 4.307 4.340 0.002 0.000 0.198 454 Q C 2.004 177.886 176.000 -0.196 0.000 0.971 454 Q CA 1.897 57.526 55.803 -0.290 0.000 0.833 454 Q CB -0.320 28.163 28.738 -0.424 0.000 0.896 454 Q HN 0.270 nan 8.270 nan 0.000 0.434 455 A N 0.486 123.197 122.820 -0.183 0.000 1.903 455 A HA -0.261 4.060 4.320 0.002 0.000 0.219 455 A C 2.118 179.669 177.584 -0.054 0.000 1.191 455 A CA 2.278 54.248 52.037 -0.111 0.000 0.638 455 A CB -0.735 18.198 19.000 -0.111 0.000 0.823 455 A HN 0.553 nan 8.150 nan 0.000 0.451 456 M N -0.858 118.711 119.600 -0.052 0.000 2.492 456 M HA 0.030 4.512 4.480 0.002 0.000 0.262 456 M C 2.132 178.395 176.300 -0.063 0.000 1.090 456 M CA 0.858 56.142 55.300 -0.028 0.000 1.110 456 M CB -0.130 32.466 32.600 -0.006 0.000 1.407 456 M HN 0.461 nan 8.290 nan 0.000 0.470 457 A N -0.074 122.687 122.820 -0.098 0.000 2.167 457 A HA 0.107 4.428 4.320 0.002 0.000 0.214 457 A C 1.084 178.572 177.584 -0.161 0.000 1.151 457 A CA 0.445 52.410 52.037 -0.119 0.000 0.735 457 A CB -0.155 18.768 19.000 -0.129 0.000 0.802 457 A HN 0.251 nan 8.150 nan 0.000 0.467 458 M N 0.761 120.254 119.600 -0.177 0.000 2.238 458 M HA 0.250 4.731 4.480 0.002 0.000 0.347 458 M C -0.862 175.169 176.300 -0.450 0.000 1.173 458 M CA -0.128 54.976 55.300 -0.327 0.000 1.147 458 M CB 0.255 32.720 32.600 -0.225 0.000 1.547 458 M HN 0.204 nan 8.290 nan 0.000 0.455 459 D N 2.284 122.265 120.400 -0.699 0.000 2.649 459 D HA 0.541 5.182 4.640 0.002 0.000 0.249 459 D C -1.755 174.033 176.300 -0.853 0.000 1.112 459 D CA -0.168 53.502 54.000 -0.551 0.000 0.850 459 D CB 0.855 41.474 40.800 -0.303 0.000 1.399 459 D HN 0.321 nan 8.370 nan 0.000 0.503 460 F N 2.035 121.918 119.950 -0.112 0.000 2.646 460 F HA 0.310 4.838 4.527 0.002 0.000 0.364 460 F C 0.155 175.820 175.800 -0.225 0.000 1.137 460 F CA -0.888 57.000 58.000 -0.186 0.000 1.085 460 F CB 1.796 40.665 39.000 -0.219 0.000 1.331 460 F HN 0.130 nan 8.300 nan 0.000 0.472 461 S N 2.341 117.986 115.700 -0.092 0.000 2.437 461 S HA 0.257 4.729 4.470 0.002 0.000 0.305 461 S C 0.510 175.082 174.600 -0.047 0.000 1.109 461 S CA -0.558 57.615 58.200 -0.045 0.000 1.099 461 S CB 0.703 63.898 63.200 -0.007 0.000 1.004 461 S HN 0.719 nan 8.310 nan 0.000 0.475 462 W N 2.668 124.043 121.300 0.124 0.000 2.388 462 W HA -0.056 4.605 4.660 0.002 0.000 0.294 462 W C 2.427 179.025 176.519 0.133 0.000 1.212 462 W CA 0.463 57.890 57.345 0.137 0.000 1.271 462 W CB 0.032 29.572 29.460 0.134 0.000 1.126 462 W HN 0.750 nan 8.180 nan 0.000 0.535 463 Q N -0.242 119.755 119.800 0.329 0.000 2.224 463 Q HA -0.171 4.170 4.340 0.002 0.000 0.203 463 Q C 2.053 178.156 176.000 0.172 0.000 0.970 463 Q CA 1.427 57.368 55.803 0.230 0.000 0.865 463 Q CB -0.433 28.405 28.738 0.167 0.000 0.922 463 Q HN 0.218 nan 8.270 nan 0.000 0.445 464 V N 0.787 120.775 119.914 0.123 0.000 2.323 464 V HA -0.233 3.888 4.120 0.002 0.000 0.244 464 V C 2.275 178.415 176.094 0.076 0.000 1.041 464 V CA 1.716 64.055 62.300 0.066 0.000 1.025 464 V CB -0.877 30.951 31.823 0.008 0.000 0.656 464 V HN 0.376 nan 8.190 nan 0.000 0.451 465 A N 0.150 123.039 122.820 0.116 0.000 1.940 465 A HA -0.173 4.149 4.320 0.002 0.000 0.219 465 A C 2.384 180.108 177.584 0.233 0.000 1.176 465 A CA 2.182 54.302 52.037 0.139 0.000 0.631 465 A CB -0.742 18.427 19.000 0.282 0.000 0.814 465 A HN 0.585 nan 8.150 nan 0.000 0.446 466 A N -0.619 122.416 122.820 0.357 0.000 2.015 466 A HA -0.116 4.205 4.320 0.002 0.000 0.219 466 A C 2.073 179.798 177.584 0.235 0.000 1.163 466 A CA 1.841 54.113 52.037 0.391 0.000 0.646 466 A CB -0.396 18.814 19.000 0.350 0.000 0.806 466 A HN 0.556 nan 8.150 nan 0.000 0.448 467 K N -0.098 120.389 120.400 0.146 0.000 2.063 467 K HA -0.120 4.201 4.320 0.002 0.000 0.208 467 K C 2.257 178.874 176.600 0.028 0.000 1.048 467 K CA 1.635 57.973 56.287 0.086 0.000 0.928 467 K CB -0.146 32.386 32.500 0.053 0.000 0.713 467 K HN 0.453 nan 8.250 nan 0.000 0.442 468 S N -0.164 115.513 115.700 -0.039 0.000 2.355 468 S HA -0.123 4.349 4.470 0.002 0.000 0.222 468 S C 1.727 176.205 174.600 -0.205 0.000 1.031 468 S CA 1.210 59.322 58.200 -0.147 0.000 0.993 468 S CB -0.421 62.632 63.200 -0.246 0.000 0.859 468 S HN 0.345 nan 8.310 nan 0.000 0.453 469 Y N 1.500 121.741 120.300 -0.098 0.000 2.207 469 Y HA -0.161 4.390 4.550 0.002 0.000 0.287 469 Y C 2.722 178.250 175.900 -0.620 0.000 1.156 469 Y CA 1.432 59.310 58.100 -0.370 0.000 1.182 469 Y CB -0.172 38.139 38.460 -0.248 0.000 0.979 469 Y HN 0.127 nan 8.280 nan 0.000 0.521 470 R N 0.834 121.295 120.500 -0.066 0.000 2.075 470 R HA -0.179 4.162 4.340 0.002 0.000 0.232 470 R C 1.844 178.269 176.300 0.209 0.000 1.126 470 R CA 1.782 57.962 56.100 0.133 0.000 0.963 470 R CB -0.153 30.306 30.300 0.265 0.000 0.858 470 R HN 0.407 nan 8.270 nan 0.000 0.435 471 E N 0.714 120.963 120.200 0.083 0.000 2.085 471 E HA -0.233 4.118 4.350 0.002 0.000 0.194 471 E C 2.066 178.697 176.600 0.051 0.000 0.994 471 E CA 1.349 57.792 56.400 0.072 0.000 0.801 471 E CB -0.146 29.552 29.700 -0.004 0.000 0.743 471 E HN 0.332 nan 8.360 nan 0.000 0.453 472 L N 0.172 121.352 121.223 -0.072 0.000 1.994 472 L HA -0.229 4.113 4.340 0.002 0.000 0.208 472 L C 2.289 179.172 176.870 0.021 0.000 1.071 472 L CA 1.482 56.244 54.840 -0.131 0.000 0.745 472 L CB -0.282 41.623 42.059 -0.257 0.000 0.892 472 L HN 0.217 nan 8.230 nan 0.000 0.431 473 Y N -0.901 119.423 120.300 0.040 0.000 2.151 473 Y HA -0.301 4.250 4.550 0.002 0.000 0.284 473 Y C 2.445 178.295 175.900 -0.084 0.000 1.166 473 Y CA 1.240 59.319 58.100 -0.035 0.000 1.163 473 Y CB -1.342 37.090 38.460 -0.048 0.000 0.974 473 Y HN 0.213 nan 8.280 nan 0.000 0.511 474 Y N -0.167 120.229 120.300 0.160 0.000 2.263 474 Y HA -0.165 4.387 4.550 0.002 0.000 0.292 474 Y C 2.724 178.652 175.900 0.047 0.000 1.130 474 Y CA 1.587 59.740 58.100 0.088 0.000 1.179 474 Y CB -0.419 38.083 38.460 0.070 0.000 0.998 474 Y HN 0.016 nan 8.280 nan 0.000 0.532 475 R N 0.711 121.316 120.500 0.175 0.000 2.096 475 R HA -0.196 4.146 4.340 0.002 0.000 0.240 475 R C 1.836 178.172 176.300 0.060 0.000 1.139 475 R CA 2.075 58.226 56.100 0.085 0.000 0.952 475 R CB -0.818 29.500 30.300 0.030 0.000 0.854 475 R HN 0.353 nan 8.270 nan 0.000 0.436 476 L N 0.144 121.396 121.223 0.049 0.000 2.083 476 L HA -0.039 4.302 4.340 0.002 0.000 0.209 476 L C 0.625 177.506 176.870 0.018 0.000 1.083 476 L CA 1.389 56.249 54.840 0.034 0.000 0.752 476 L CB -0.463 41.620 42.059 0.039 0.000 0.899 476 L HN 0.324 nan 8.230 nan 0.000 0.433 477 K N 0.000 120.406 120.400 0.010 0.000 2.780 477 K HA 0.000 4.321 4.320 0.002 0.000 0.191 477 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 477 K CB 0.000 32.506 32.500 0.010 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543