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 1ziw_1_A DATA FIRST_RESID 30 DATA SEQUENCE VSHEVADCSH LKLTQVPDDL PTNITVLNLT HNQLRRLPAA NFTRYSQLTS DATA SEQUENCE LDVGFNTISK LEPELcQKLP MLKVLNLQHN ELSQLSDKTF AFcTNLTELH DATA SEQUENCE LMSNSIQKIK NNPFVKQKNL ITLDLSHNGL SSTKLGTQVQ LENLQELLLS DATA SEQUENCE NNKIQALKSE ELDIFANSSL KKLELSSNQI KEFSPGCFHA IGRLFGLFLN DATA SEQUENCE NVQLGPSLTE KLCLELANTS IRNLSLSNSQ LSTTSNTTFL GLKWTNLTML DATA SEQUENCE DLSYNNLNVV GNDSFAWLPQ LEYFFLEYNN IQHLFSHSLH GLFNVRYLNL DATA SEQUENCE KRSFTKQXXX XXXLPKIDDF SFQWLKCLEH LNMEDNDIPG IKSNMFTGLI DATA SEQUENCE NLKYLSLSNS FTSLRTLTNE TFVSLAHSPL HILNLTKNKI SKIESDAFSW DATA SEQUENCE LGHLEVLDLG LNEIGQELTG QEWRGLENIF EIYLSYNKYL QLTRNSFALV DATA SEQUENCE PSLQRLMLRR VALKNVDSSP SPFQPLRNLT ILDLSNNNIA NINDDMLEGL DATA SEQUENCE EKLEILDLQH NNLARLWKHA NPGGPIYFLK GLSHLHILNL ESNGFDEIPV DATA SEQUENCE EVFKDLFELK IIDLGLNNLN TLPASVFNNQ VSLKSLNLQK NLITSVEKKV DATA SEQUENCE FGPAFRNLTE LDMRFNPFDC TCESIAWFVN WINET 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 30 V HA 0.000 nan 4.120 nan 0.000 0.244 30 V C 0.000 176.046 176.094 -0.080 0.000 1.182 30 V CA 0.000 62.273 62.300 -0.045 0.000 1.235 30 V CB 0.000 31.802 31.823 -0.035 0.000 1.184 31 S N 0.440 116.023 115.700 -0.195 0.000 2.584 31 S HA 0.494 4.973 4.470 0.015 0.000 0.282 31 S C -0.880 173.500 174.600 -0.366 0.000 1.138 31 S CA -0.440 57.652 58.200 -0.180 0.000 0.987 31 S CB 0.573 63.715 63.200 -0.097 0.000 1.137 31 S HN 0.486 nan 8.310 nan 0.000 0.457 32 H N 3.241 122.313 119.070 0.003 0.000 2.528 32 H HA 0.369 4.934 4.556 0.015 0.000 0.256 32 H C 0.623 175.955 175.328 0.007 0.000 1.204 32 H CA 0.125 56.176 56.048 0.005 0.000 0.955 32 H CB 0.338 30.103 29.762 0.004 0.000 1.817 32 H HN 0.908 nan 8.280 nan 0.000 0.579 33 E N 0.116 120.363 120.200 0.079 0.000 3.975 33 E HA -0.181 4.178 4.350 0.015 0.000 0.342 33 E C -0.734 175.899 176.600 0.054 0.000 0.677 33 E CA 0.567 57.002 56.400 0.058 0.000 1.238 33 E CB -0.496 29.238 29.700 0.056 0.000 1.665 33 E HN 0.154 nan 8.360 nan 0.000 0.429 34 V N 1.019 120.980 119.914 0.079 0.000 2.370 34 V HA 0.629 4.758 4.120 0.015 0.000 0.279 34 V C 0.282 176.405 176.094 0.049 0.000 1.029 34 V CA 0.183 62.521 62.300 0.063 0.000 0.870 34 V CB 1.411 33.285 31.823 0.083 0.000 0.984 34 V HN 0.305 nan 8.190 nan 0.000 0.451 35 A N 3.620 126.442 122.820 0.003 0.000 2.260 35 A HA 0.464 4.793 4.320 0.015 0.000 0.312 35 A C -0.151 177.430 177.584 -0.004 0.000 1.321 35 A CA -0.393 51.631 52.037 -0.022 0.000 0.928 35 A CB 0.226 19.174 19.000 -0.085 0.000 1.158 35 A HN 0.765 nan 8.150 nan 0.000 0.542 36 D N 2.483 122.892 120.400 0.015 0.000 2.347 36 D HA 0.302 4.951 4.640 0.015 0.000 0.235 36 D C -0.097 176.212 176.300 0.015 0.000 1.149 36 D CA -0.120 53.895 54.000 0.026 0.000 0.850 36 D CB 0.783 41.613 40.800 0.051 0.000 1.061 36 D HN 0.414 nan 8.370 nan 0.000 0.487 37 C N 2.745 122.053 119.300 0.012 0.000 2.976 37 C HA 0.249 4.718 4.460 0.015 0.000 0.274 37 C C 0.959 175.965 174.990 0.027 0.000 1.487 37 C CA -0.718 58.308 59.018 0.013 0.000 1.789 37 C CB -1.269 26.468 27.740 -0.005 0.000 2.771 37 C HN 0.547 nan 8.230 nan 0.000 0.551 38 S N 1.133 116.855 115.700 0.037 0.000 2.562 38 S HA 0.173 4.652 4.470 0.015 0.000 0.281 38 S C 0.549 175.202 174.600 0.089 0.000 1.333 38 S CA 0.548 58.764 58.200 0.026 0.000 1.052 38 S CB 0.019 63.252 63.200 0.054 0.000 0.884 38 S HN 0.721 nan 8.310 nan 0.000 0.506 39 H N 2.445 121.562 119.070 0.079 0.000 2.672 39 H HA -0.129 4.436 4.556 0.015 0.000 0.325 39 H C -0.097 175.246 175.328 0.025 0.000 1.158 39 H CA 1.008 57.079 56.048 0.038 0.000 1.134 39 H CB -1.665 28.080 29.762 -0.028 0.000 1.553 39 H HN 0.607 nan 8.280 nan 0.000 0.419 40 L N -0.052 121.237 121.223 0.109 0.000 3.298 40 L HA 0.098 4.447 4.340 0.015 0.000 0.296 40 L C 1.080 177.985 176.870 0.059 0.000 1.237 40 L CA -0.148 54.736 54.840 0.073 0.000 1.038 40 L CB 0.414 42.504 42.059 0.051 0.000 1.423 40 L HN 0.133 nan 8.230 nan 0.000 0.605 41 K N 1.356 121.798 120.400 0.070 0.000 3.012 41 K HA -0.177 4.152 4.320 0.015 0.000 0.259 41 K C -0.253 176.375 176.600 0.047 0.000 0.989 41 K CA 0.569 56.892 56.287 0.059 0.000 0.728 41 K CB -1.570 30.961 32.500 0.051 0.000 1.260 41 K HN 0.351 nan 8.250 nan 0.000 0.480 42 L N 0.656 121.906 121.223 0.045 0.000 2.331 42 L HA 0.104 4.453 4.340 0.015 0.000 0.278 42 L C 1.801 178.695 176.870 0.039 0.000 1.106 42 L CA 0.032 54.894 54.840 0.036 0.000 0.824 42 L CB 0.934 43.012 42.059 0.032 0.000 1.142 42 L HN 0.231 nan 8.230 nan 0.000 0.443 43 T N -1.417 113.157 114.554 0.033 0.000 3.069 43 T HA 0.139 4.498 4.350 0.015 0.000 0.252 43 T C 0.226 174.945 174.700 0.032 0.000 1.053 43 T CA -0.298 61.822 62.100 0.034 0.000 0.964 43 T CB 0.050 68.936 68.868 0.029 0.000 1.005 43 T HN 0.696 nan 8.240 nan 0.000 0.532 44 Q N -0.116 119.700 119.800 0.027 0.000 2.482 44 Q HA 0.606 4.955 4.340 0.015 0.000 0.286 44 Q C -1.673 174.331 176.000 0.007 0.000 1.007 44 Q CA -1.159 54.655 55.803 0.019 0.000 0.801 44 Q CB 1.759 30.503 28.738 0.010 0.000 1.455 44 Q HN -0.000 nan 8.270 nan 0.000 0.398 45 V N 2.380 122.284 119.914 -0.017 0.000 2.529 45 V HA 0.174 4.303 4.120 0.015 0.000 0.292 45 V C -1.985 174.084 176.094 -0.042 0.000 1.028 45 V CA -0.981 61.281 62.300 -0.063 0.000 1.074 45 V CB 0.114 31.793 31.823 -0.241 0.000 0.958 45 V HN 0.695 nan 8.190 nan 0.000 0.481 46 P HA -0.003 nan 4.420 nan 0.000 0.260 46 P C 0.074 177.425 177.300 0.084 0.000 1.172 46 P CA 0.259 63.369 63.100 0.016 0.000 0.760 46 P CB 0.286 31.983 31.700 -0.004 0.000 0.773 47 D N 1.214 121.645 120.400 0.052 0.000 2.349 47 D HA -0.048 4.601 4.640 0.015 0.000 0.214 47 D C 0.149 176.477 176.300 0.046 0.000 1.063 47 D CA 0.201 54.218 54.000 0.029 0.000 0.847 47 D CB -0.246 40.538 40.800 -0.027 0.000 0.933 47 D HN 0.309 nan 8.370 nan 0.000 0.513 48 D N -0.218 120.241 120.400 0.097 0.000 2.620 48 D HA 0.124 4.772 4.640 0.015 0.000 0.260 48 D C 0.291 176.656 176.300 0.108 0.000 1.367 48 D CA -0.495 53.548 54.000 0.072 0.000 0.805 48 D CB -0.519 40.300 40.800 0.033 0.000 1.096 48 D HN 0.128 nan 8.370 nan 0.000 0.488 49 L N 0.268 121.616 121.223 0.208 0.000 2.466 49 L HA 0.414 4.763 4.340 0.015 0.000 0.257 49 L C -1.914 175.096 176.870 0.233 0.000 1.189 49 L CA -1.921 53.017 54.840 0.164 0.000 0.813 49 L CB 0.175 42.242 42.059 0.014 0.000 1.118 49 L HN -0.185 nan 8.230 nan 0.000 0.471 50 P HA 0.014 nan 4.420 nan 0.000 0.269 50 P C 0.432 177.858 177.300 0.209 0.000 1.209 50 P CA -0.235 62.941 63.100 0.128 0.000 0.776 50 P CB 0.423 32.166 31.700 0.071 0.000 0.876 51 T N -2.386 112.252 114.554 0.141 0.000 3.163 51 T HA -0.081 4.277 4.350 0.015 0.000 0.260 51 T C 1.355 176.133 174.700 0.130 0.000 1.156 51 T CA 0.667 62.849 62.100 0.137 0.000 1.072 51 T CB -0.787 68.109 68.868 0.048 0.000 0.937 51 T HN 0.193 nan 8.240 nan 0.000 0.528 52 N N 1.845 120.608 118.700 0.105 0.000 2.166 52 N HA 0.038 4.787 4.740 0.015 0.000 0.186 52 N C 0.996 176.557 175.510 0.085 0.000 1.019 52 N CA 0.639 53.736 53.050 0.079 0.000 0.856 52 N CB -0.404 38.117 38.487 0.057 0.000 0.993 52 N HN 0.764 nan 8.380 nan 0.000 0.426 53 I N -0.258 120.371 120.570 0.100 0.000 2.752 53 I HA 0.028 4.206 4.170 0.015 0.000 0.287 53 I C 1.288 177.446 176.117 0.068 0.000 1.188 53 I CA 0.189 61.524 61.300 0.058 0.000 1.427 53 I CB 0.973 38.966 38.000 -0.012 0.000 1.365 53 I HN -0.081 nan 8.210 nan 0.000 0.585 54 T N 1.893 116.476 114.554 0.049 0.000 2.959 54 T HA 0.317 4.675 4.350 0.015 0.000 0.254 54 T C 0.373 175.098 174.700 0.041 0.000 1.003 54 T CA -0.133 61.998 62.100 0.052 0.000 0.950 54 T CB 0.164 69.060 68.868 0.046 0.000 1.090 54 T HN 0.423 nan 8.240 nan 0.000 0.503 55 V N 2.340 122.270 119.914 0.026 0.000 2.531 55 V HA 0.695 4.824 4.120 0.015 0.000 0.301 55 V C -1.392 174.700 176.094 -0.003 0.000 1.034 55 V CA -1.026 61.285 62.300 0.019 0.000 0.865 55 V CB 1.847 33.683 31.823 0.022 0.000 0.995 55 V HN 0.402 nan 8.190 nan 0.000 0.424 56 L N 4.971 126.195 121.223 0.001 0.000 2.349 56 L HA 0.670 5.019 4.340 0.015 0.000 0.278 56 L C -0.591 176.285 176.870 0.010 0.000 0.996 56 L CA -0.151 54.676 54.840 -0.022 0.000 0.825 56 L CB 1.613 43.656 42.059 -0.027 0.000 1.243 56 L HN 0.664 nan 8.230 nan 0.000 0.412 57 N N 5.489 124.190 118.700 0.002 0.000 2.511 57 N HA 0.349 5.098 4.740 0.015 0.000 0.249 57 N C -0.786 174.733 175.510 0.016 0.000 0.971 57 N CA -0.235 52.825 53.050 0.015 0.000 0.938 57 N CB 0.794 39.292 38.487 0.019 0.000 1.131 57 N HN 0.769 nan 8.380 nan 0.000 0.505 58 L N 2.108 123.347 121.223 0.026 0.000 3.110 58 L HA 0.210 4.558 4.340 0.015 0.000 0.266 58 L C 0.536 177.413 176.870 0.012 0.000 1.257 58 L CA -0.340 54.516 54.840 0.027 0.000 1.038 58 L CB 0.135 42.228 42.059 0.057 0.000 1.395 58 L HN 0.495 nan 8.230 nan 0.000 0.566 59 T N -2.907 111.643 114.554 -0.006 0.000 2.937 59 T HA 0.036 4.394 4.350 0.015 0.000 0.316 59 T C 0.281 174.915 174.700 -0.109 0.000 1.079 59 T CA -0.056 62.008 62.100 -0.060 0.000 1.131 59 T CB 0.026 68.871 68.868 -0.038 0.000 1.000 59 T HN 0.464 nan 8.240 nan 0.000 0.549 60 H N 0.831 119.864 119.070 -0.062 0.000 2.740 60 H HA -0.118 4.447 4.556 0.015 0.000 0.327 60 H C 0.306 175.570 175.328 -0.107 0.000 1.077 60 H CA 0.766 56.704 56.048 -0.183 0.000 1.088 60 H CB -1.544 27.769 29.762 -0.748 0.000 1.619 60 H HN 0.666 nan 8.280 nan 0.000 0.386 61 N N 0.341 119.082 118.700 0.069 0.000 3.479 61 N HA 0.252 5.001 4.740 0.015 0.000 0.336 61 N C 0.104 175.662 175.510 0.080 0.000 1.623 61 N CA -0.713 52.379 53.050 0.070 0.000 0.759 61 N CB 0.977 39.495 38.487 0.051 0.000 2.016 61 N HN 0.390 nan 8.380 nan 0.000 0.637 62 Q N 0.702 120.543 119.800 0.067 0.000 2.155 62 Q HA 0.422 4.770 4.340 0.015 0.000 0.273 62 Q C -0.561 175.472 176.000 0.055 0.000 0.857 62 Q CA -0.154 55.688 55.803 0.064 0.000 1.116 62 Q CB 0.491 29.264 28.738 0.057 0.000 1.209 62 Q HN 0.311 nan 8.270 nan 0.000 0.460 63 L N 0.833 122.090 121.223 0.057 0.000 2.499 63 L HA 0.080 4.429 4.340 0.015 0.000 0.273 63 L C 1.356 178.255 176.870 0.050 0.000 1.195 63 L CA 0.479 55.354 54.840 0.058 0.000 0.882 63 L CB 0.436 42.538 42.059 0.072 0.000 1.133 63 L HN 0.255 nan 8.230 nan 0.000 0.483 64 R N 2.242 122.769 120.500 0.045 0.000 2.279 64 R HA 0.266 4.615 4.340 0.015 0.000 0.195 64 R C 0.180 176.501 176.300 0.035 0.000 0.905 64 R CA 0.119 56.239 56.100 0.034 0.000 1.044 64 R CB 0.617 30.933 30.300 0.028 0.000 1.056 64 R HN 0.604 nan 8.270 nan 0.000 0.535 65 R N 0.078 120.608 120.500 0.051 0.000 2.739 65 R HA 0.432 4.781 4.340 0.015 0.000 0.271 65 R C -1.156 175.203 176.300 0.100 0.000 1.010 65 R CA -0.728 55.406 56.100 0.057 0.000 0.897 65 R CB 1.835 32.164 30.300 0.048 0.000 1.236 65 R HN -0.082 nan 8.270 nan 0.000 0.466 66 L N 2.662 123.953 121.223 0.113 0.000 2.581 66 L HA 0.371 4.720 4.340 0.015 0.000 0.241 66 L C -2.343 174.663 176.870 0.227 0.000 1.265 66 L CA -1.856 53.113 54.840 0.215 0.000 0.954 66 L CB 1.288 43.431 42.059 0.140 0.000 1.269 66 L HN 0.207 nan 8.230 nan 0.000 0.475 67 P HA 0.092 nan 4.420 nan 0.000 0.271 67 P C 0.770 178.222 177.300 0.253 0.000 1.216 67 P CA -0.054 63.146 63.100 0.167 0.000 0.771 67 P CB 1.414 33.178 31.700 0.107 0.000 0.864 68 A N 4.242 127.172 122.820 0.182 0.000 1.917 68 A HA -0.239 4.090 4.320 0.015 0.000 0.219 68 A C 2.136 179.837 177.584 0.195 0.000 1.182 68 A CA 2.305 54.458 52.037 0.193 0.000 0.633 68 A CB -1.656 17.411 19.000 0.111 0.000 0.819 68 A HN 0.561 nan 8.150 nan 0.000 0.448 69 A N 0.039 122.929 122.820 0.117 0.000 2.024 69 A HA -0.201 4.128 4.320 0.015 0.000 0.220 69 A C 1.782 179.381 177.584 0.026 0.000 1.164 69 A CA 1.535 53.608 52.037 0.060 0.000 0.643 69 A CB -0.708 18.308 19.000 0.028 0.000 0.806 69 A HN 0.715 nan 8.150 nan 0.000 0.451 70 N N -1.704 117.020 118.700 0.040 0.000 2.467 70 N HA 0.025 4.774 4.740 0.015 0.000 0.184 70 N C 0.146 175.440 175.510 -0.361 0.000 1.106 70 N CA 0.765 53.719 53.050 -0.161 0.000 0.892 70 N CB -0.008 38.354 38.487 -0.207 0.000 0.969 70 N HN 0.557 nan 8.380 nan 0.000 0.454 71 F N 0.007 119.989 119.950 0.053 0.000 2.682 71 F HA 0.206 4.742 4.527 0.015 0.000 0.308 71 F C 2.061 177.855 175.800 -0.009 0.000 1.093 71 F CA -0.045 58.014 58.000 0.099 0.000 1.244 71 F CB 0.188 39.273 39.000 0.142 0.000 1.052 71 F HN -0.141 nan 8.300 nan 0.000 0.573 72 T N 0.050 114.632 114.554 0.046 0.000 2.665 72 T HA -0.274 4.085 4.350 0.015 0.000 0.268 72 T C 2.178 176.816 174.700 -0.102 0.000 1.035 72 T CA 1.632 63.724 62.100 -0.012 0.000 1.151 72 T CB -0.234 68.612 68.868 -0.037 0.000 0.862 72 T HN 0.205 nan 8.240 nan 0.000 0.438 73 R N 0.140 120.462 120.500 -0.296 0.000 2.117 73 R HA -0.118 4.230 4.340 0.015 0.000 0.243 73 R C 0.355 176.421 176.300 -0.390 0.000 1.143 73 R CA 1.326 57.139 56.100 -0.478 0.000 0.968 73 R CB -0.149 29.612 30.300 -0.898 0.000 0.863 73 R HN 0.435 nan 8.270 nan 0.000 0.444 74 Y N 0.147 120.489 120.300 0.071 0.000 2.813 74 Y HA 0.179 4.737 4.550 0.015 0.000 0.378 74 Y C 1.190 177.161 175.900 0.118 0.000 1.023 74 Y CA -0.510 57.650 58.100 0.099 0.000 1.567 74 Y CB 0.358 38.902 38.460 0.140 0.000 1.492 74 Y HN 0.074 nan 8.280 nan 0.000 0.533 75 S N -1.196 114.601 115.700 0.163 0.000 2.537 75 S HA -0.137 4.341 4.470 0.015 0.000 0.240 75 S C 1.334 176.003 174.600 0.116 0.000 0.981 75 S CA 0.804 59.077 58.200 0.121 0.000 0.948 75 S CB 0.058 63.298 63.200 0.067 0.000 0.759 75 S HN 0.443 nan 8.310 nan 0.000 0.531 76 Q N 0.524 120.406 119.800 0.137 0.000 2.319 76 Q HA 0.378 4.727 4.340 0.015 0.000 0.209 76 Q C 0.245 176.305 176.000 0.101 0.000 0.884 76 Q CA -0.085 55.781 55.803 0.104 0.000 0.938 76 Q CB -0.055 28.739 28.738 0.093 0.000 1.098 76 Q HN 0.577 nan 8.270 nan 0.000 0.517 77 L N 2.263 123.564 121.223 0.130 0.000 2.601 77 L HA -0.050 4.298 4.340 0.015 0.000 0.277 77 L C 1.483 178.396 176.870 0.071 0.000 1.219 77 L CA 0.632 55.534 54.840 0.103 0.000 0.915 77 L CB 0.201 42.339 42.059 0.132 0.000 1.160 77 L HN 0.163 nan 8.230 nan 0.000 0.494 78 T N -2.311 112.276 114.554 0.055 0.000 3.014 78 T HA 0.064 4.423 4.350 0.015 0.000 0.250 78 T C 0.615 175.337 174.700 0.036 0.000 1.060 78 T CA 0.033 62.158 62.100 0.042 0.000 1.040 78 T CB 0.459 69.349 68.868 0.036 0.000 0.971 78 T HN 0.435 nan 8.240 nan 0.000 0.497 79 S N 0.363 116.085 115.700 0.037 0.000 2.575 79 S HA 0.678 5.157 4.470 0.015 0.000 0.278 79 S C -1.951 172.668 174.600 0.032 0.000 1.139 79 S CA -0.836 57.383 58.200 0.031 0.000 0.954 79 S CB 1.517 64.733 63.200 0.026 0.000 1.054 79 S HN 0.369 nan 8.310 nan 0.000 0.483 80 L N 4.399 125.638 121.223 0.026 0.000 2.406 80 L HA 0.671 5.020 4.340 0.015 0.000 0.270 80 L C -1.454 175.430 176.870 0.023 0.000 0.982 80 L CA -0.131 54.724 54.840 0.026 0.000 0.843 80 L CB 1.753 43.806 42.059 -0.011 0.000 1.225 80 L HN 0.699 nan 8.230 nan 0.000 0.412 81 D N 3.812 124.227 120.400 0.026 0.000 2.453 81 D HA 0.347 4.995 4.640 0.015 0.000 0.238 81 D C 0.154 176.466 176.300 0.021 0.000 1.088 81 D CA -0.129 53.879 54.000 0.012 0.000 0.854 81 D CB 1.610 42.410 40.800 0.000 0.000 1.076 81 D HN 0.360 nan 8.370 nan 0.000 0.533 82 V N 1.903 121.827 119.914 0.017 0.000 3.085 82 V HA 0.543 4.671 4.120 0.015 0.000 0.345 82 V C 1.009 177.094 176.094 -0.014 0.000 1.397 82 V CA -0.393 61.920 62.300 0.023 0.000 1.165 82 V CB 0.214 32.067 31.823 0.050 0.000 1.153 82 V HN 0.421 nan 8.190 nan 0.000 0.495 83 G N 0.170 108.944 108.800 -0.043 0.000 2.391 83 G HA2 0.314 4.283 3.960 0.015 0.000 0.234 83 G HA3 0.314 4.283 3.960 0.015 0.000 0.234 83 G C -0.086 174.765 174.900 -0.081 0.000 1.284 83 G CA 0.037 45.051 45.100 -0.142 0.000 0.873 83 G HN 0.704 nan 8.290 nan 0.000 0.549 84 F N -0.093 119.771 119.950 -0.144 0.000 3.030 84 F HA -0.197 4.338 4.527 0.014 0.000 0.309 84 F C 0.865 176.622 175.800 -0.072 0.000 0.941 84 F CA 0.723 58.626 58.000 -0.162 0.000 1.082 84 F CB -1.914 36.650 39.000 -0.728 0.000 1.113 84 F HN 0.563 nan 8.300 nan 0.000 0.716 85 N N -0.330 118.420 118.700 0.083 0.000 3.312 85 N HA 0.616 5.365 4.740 0.015 0.000 0.361 85 N C 0.792 176.339 175.510 0.060 0.000 1.476 85 N CA 0.251 53.346 53.050 0.075 0.000 0.669 85 N CB 1.189 39.706 38.487 0.049 0.000 1.629 85 N HN 0.104 nan 8.380 nan 0.000 0.612 86 T N -1.540 113.038 114.554 0.040 0.000 3.487 86 T HA 0.451 4.810 4.350 0.015 0.000 0.287 86 T C 0.120 174.825 174.700 0.009 0.000 1.004 86 T CA -0.326 61.786 62.100 0.019 0.000 0.977 86 T CB -1.104 67.783 68.868 0.031 0.000 1.180 86 T HN 0.252 nan 8.240 nan 0.000 0.490 87 I N 2.784 123.358 120.570 0.006 0.000 2.471 87 I HA 0.198 4.376 4.170 0.015 0.000 0.286 87 I C 1.411 177.522 176.117 -0.009 0.000 1.079 87 I CA -0.213 61.091 61.300 0.007 0.000 1.398 87 I CB 1.202 39.212 38.000 0.017 0.000 1.403 87 I HN 0.473 nan 8.210 nan 0.000 0.530 88 S N 4.018 119.712 115.700 -0.010 0.000 2.520 88 S HA 0.303 4.782 4.470 0.015 0.000 0.219 88 S C 0.388 174.968 174.600 -0.032 0.000 1.028 88 S CA -0.304 57.884 58.200 -0.021 0.000 0.921 88 S CB 0.372 63.561 63.200 -0.018 0.000 0.844 88 S HN 0.597 nan 8.310 nan 0.000 0.495 89 K N 0.251 120.632 120.400 -0.032 0.000 2.536 89 K HA 0.602 4.931 4.320 0.015 0.000 0.269 89 K C -1.951 174.613 176.600 -0.059 0.000 0.965 89 K CA -0.534 55.719 56.287 -0.057 0.000 0.860 89 K CB 2.052 34.517 32.500 -0.058 0.000 1.423 89 K HN 0.077 nan 8.250 nan 0.000 0.438 90 L N 2.527 123.684 121.223 -0.111 0.000 2.305 90 L HA 0.383 4.731 4.340 0.015 0.000 0.284 90 L C -0.361 176.445 176.870 -0.107 0.000 1.013 90 L CA -0.665 54.106 54.840 -0.114 0.000 0.819 90 L CB 1.677 43.617 42.059 -0.198 0.000 1.227 90 L HN 0.569 nan 8.230 nan 0.000 0.417 91 E N 4.673 124.845 120.200 -0.047 0.000 2.265 91 E HA 0.038 4.396 4.350 0.015 0.000 0.272 91 E C -1.587 175.003 176.600 -0.016 0.000 1.067 91 E CA -1.538 54.850 56.400 -0.019 0.000 0.900 91 E CB 1.000 30.715 29.700 0.025 0.000 1.017 91 E HN 0.379 nan 8.360 nan 0.000 0.431 92 P HA -0.206 nan 4.420 nan 0.000 0.217 92 P C 0.825 178.260 177.300 0.225 0.000 1.148 92 P CA 1.019 64.120 63.100 0.003 0.000 0.828 92 P CB 0.297 31.944 31.700 -0.089 0.000 0.783 93 E N -0.741 119.584 120.200 0.208 0.000 2.265 93 E HA -0.162 4.197 4.350 0.015 0.000 0.196 93 E C 1.867 178.537 176.600 0.117 0.000 0.996 93 E CA 0.526 57.033 56.400 0.177 0.000 0.832 93 E CB -0.825 28.936 29.700 0.102 0.000 0.756 93 E HN 0.220 nan 8.360 nan 0.000 0.491 94 L N 0.697 121.969 121.223 0.083 0.000 2.021 94 L HA -0.251 4.097 4.340 0.015 0.000 0.215 94 L C 2.265 179.154 176.870 0.031 0.000 1.074 94 L CA 1.844 56.697 54.840 0.022 0.000 0.760 94 L CB -0.696 41.325 42.059 -0.063 0.000 0.889 94 L HN 0.115 nan 8.230 nan 0.000 0.433 95 c N -0.882 117.774 118.600 0.093 0.000 2.432 95 c HA -0.090 4.489 4.570 0.015 0.000 0.282 95 c C 2.631 176.789 174.090 0.114 0.000 1.388 95 c CA 0.596 56.996 56.329 0.119 0.000 1.777 95 c CB -0.980 41.639 42.510 0.182 0.000 1.882 95 c HN 0.614 nan 8.230 nan 0.000 0.520 96 Q N 0.159 120.014 119.800 0.091 0.000 2.311 96 Q HA -0.059 4.290 4.340 0.015 0.000 0.203 96 Q C 2.054 178.060 176.000 0.011 0.000 0.954 96 Q CA 0.721 56.520 55.803 -0.007 0.000 0.885 96 Q CB 0.042 28.695 28.738 -0.141 0.000 0.963 96 Q HN 0.542 nan 8.270 nan 0.000 0.471 97 K N 0.285 120.711 120.400 0.043 0.000 2.288 97 K HA 0.026 4.355 4.320 0.015 0.000 0.201 97 K C 0.652 177.301 176.600 0.080 0.000 1.048 97 K CA 0.688 57.016 56.287 0.068 0.000 0.956 97 K CB 0.341 32.912 32.500 0.118 0.000 0.746 97 K HN 0.201 nan 8.250 nan 0.000 0.461 98 L N 2.378 123.640 121.223 0.065 0.000 2.679 98 L HA 0.203 4.551 4.340 0.015 0.000 0.238 98 L C -1.784 175.119 176.870 0.056 0.000 1.330 98 L CA -1.107 53.772 54.840 0.066 0.000 0.935 98 L CB 1.290 43.372 42.059 0.037 0.000 1.243 98 L HN -0.166 nan 8.230 nan 0.000 0.484 99 P HA -0.080 nan 4.420 nan 0.000 0.230 99 P C 1.113 178.440 177.300 0.045 0.000 1.158 99 P CA 1.107 64.234 63.100 0.044 0.000 0.769 99 P CB 0.328 32.046 31.700 0.031 0.000 0.807 100 M N -1.569 118.060 119.600 0.048 0.000 2.428 100 M HA 0.112 4.601 4.480 0.015 0.000 0.239 100 M C 0.519 176.844 176.300 0.043 0.000 1.121 100 M CA -0.568 54.759 55.300 0.044 0.000 1.019 100 M CB -0.011 32.616 32.600 0.046 0.000 1.485 100 M HN -0.130 nan 8.290 nan 0.000 0.484 101 L N 2.136 123.386 121.223 0.044 0.000 2.584 101 L HA -0.067 4.282 4.340 0.015 0.000 0.272 101 L C 0.879 177.768 176.870 0.032 0.000 1.195 101 L CA 1.179 56.042 54.840 0.037 0.000 0.920 101 L CB 0.144 42.222 42.059 0.031 0.000 1.173 101 L HN 0.153 nan 8.230 nan 0.000 0.489 102 K N 3.168 123.584 120.400 0.027 0.000 2.329 102 K HA 0.255 4.583 4.320 0.015 0.000 0.198 102 K C -0.473 176.136 176.600 0.014 0.000 1.085 102 K CA 0.184 56.483 56.287 0.019 0.000 0.961 102 K CB 0.692 33.204 32.500 0.020 0.000 0.971 102 K HN 0.391 nan 8.250 nan 0.000 0.502 103 V N 2.988 122.918 119.914 0.027 0.000 2.378 103 V HA 0.289 4.418 4.120 0.015 0.000 0.288 103 V C -1.214 174.909 176.094 0.050 0.000 1.016 103 V CA -0.847 61.481 62.300 0.046 0.000 0.840 103 V CB 1.573 33.431 31.823 0.058 0.000 0.994 103 V HN 0.081 nan 8.190 nan 0.000 0.431 104 L N 5.376 126.634 121.223 0.059 0.000 2.372 104 L HA 0.639 4.988 4.340 0.015 0.000 0.273 104 L C -0.613 176.320 176.870 0.104 0.000 0.989 104 L CA -0.035 54.838 54.840 0.055 0.000 0.841 104 L CB 1.570 43.649 42.059 0.033 0.000 1.225 104 L HN 0.588 nan 8.230 nan 0.000 0.414 105 N N 5.245 123.992 118.700 0.078 0.000 2.476 105 N HA 0.366 5.115 4.740 0.015 0.000 0.257 105 N C -0.434 175.092 175.510 0.025 0.000 0.970 105 N CA -0.199 52.890 53.050 0.064 0.000 0.938 105 N CB 1.286 39.742 38.487 -0.051 0.000 1.144 105 N HN 0.798 nan 8.380 nan 0.000 0.500 106 L N 2.663 123.909 121.223 0.039 0.000 3.014 106 L HA 0.178 4.527 4.340 0.015 0.000 0.263 106 L C 0.856 177.697 176.870 -0.047 0.000 1.207 106 L CA -0.287 54.563 54.840 0.016 0.000 1.017 106 L CB 0.160 42.270 42.059 0.085 0.000 1.360 106 L HN 0.554 nan 8.230 nan 0.000 0.560 107 Q N -0.445 119.293 119.800 -0.102 0.000 2.395 107 Q HA -0.062 4.287 4.340 0.015 0.000 0.271 107 Q C 0.104 175.901 176.000 -0.337 0.000 1.026 107 Q CA -0.072 55.614 55.803 -0.193 0.000 0.900 107 Q CB 0.293 28.888 28.738 -0.238 0.000 1.266 107 Q HN 0.195 nan 8.270 nan 0.000 0.430 108 H N 1.436 120.263 119.070 -0.405 0.000 2.750 108 H HA -0.170 4.395 4.556 0.015 0.000 0.327 108 H C -1.231 173.940 175.328 -0.262 0.000 1.199 108 H CA 0.852 56.648 56.048 -0.421 0.000 1.149 108 H CB -0.680 28.568 29.762 -0.856 0.000 1.543 108 H HN 0.892 nan 8.280 nan 0.000 0.427 109 N N 0.376 118.944 118.700 -0.220 0.000 3.512 109 N HA 0.200 4.949 4.740 0.015 0.000 0.360 109 N C 0.040 175.467 175.510 -0.138 0.000 1.593 109 N CA -0.495 52.474 53.050 -0.135 0.000 0.672 109 N CB 0.731 39.179 38.487 -0.066 0.000 2.105 109 N HN 0.360 nan 8.380 nan 0.000 0.645 110 E N 0.623 120.778 120.200 -0.076 0.000 2.995 110 E HA 0.216 4.575 4.350 0.015 0.000 0.203 110 E C -0.625 175.951 176.600 -0.039 0.000 0.980 110 E CA -0.055 56.307 56.400 -0.063 0.000 1.172 110 E CB 0.339 30.010 29.700 -0.049 0.000 1.088 110 E HN 0.147 nan 8.360 nan 0.000 0.463 111 L N 1.781 122.987 121.223 -0.029 0.000 2.583 111 L HA 0.089 4.437 4.340 0.015 0.000 0.239 111 L C 1.319 178.189 176.870 -0.000 0.000 1.347 111 L CA 0.252 55.085 54.840 -0.010 0.000 1.246 111 L CB -0.159 41.911 42.059 0.020 0.000 1.496 111 L HN 0.071 nan 8.230 nan 0.000 0.413 112 S N -0.473 115.219 115.700 -0.013 0.000 2.489 112 S HA 0.089 4.568 4.470 0.015 0.000 0.228 112 S C 0.682 175.277 174.600 -0.009 0.000 0.995 112 S CA 0.072 58.268 58.200 -0.006 0.000 0.934 112 S CB -0.026 63.166 63.200 -0.014 0.000 0.771 112 S HN 0.516 nan 8.310 nan 0.000 0.522 113 Q N 1.316 121.101 119.800 -0.026 0.000 2.341 113 Q HA 0.536 4.885 4.340 0.015 0.000 0.268 113 Q C -1.161 174.797 176.000 -0.071 0.000 1.013 113 Q CA -0.136 55.641 55.803 -0.044 0.000 0.798 113 Q CB 1.979 30.686 28.738 -0.050 0.000 1.253 113 Q HN 0.422 nan 8.270 nan 0.000 0.457 114 L N 1.385 122.561 121.223 -0.078 0.000 2.325 114 L HA 0.606 4.955 4.340 0.015 0.000 0.278 114 L C 0.590 177.359 176.870 -0.168 0.000 1.023 114 L CA -0.637 54.119 54.840 -0.140 0.000 0.811 114 L CB 1.602 43.599 42.059 -0.105 0.000 1.249 114 L HN 0.610 nan 8.230 nan 0.000 0.431 115 S N -0.682 114.888 115.700 -0.216 0.000 2.798 115 S HA 0.376 4.855 4.470 0.015 0.000 0.312 115 S C 0.173 174.638 174.600 -0.225 0.000 1.122 115 S CA -0.734 57.351 58.200 -0.192 0.000 0.949 115 S CB 1.786 64.886 63.200 -0.166 0.000 1.235 115 S HN 0.573 nan 8.310 nan 0.000 0.552 116 D N 0.385 120.672 120.400 -0.187 0.000 2.269 116 D HA 0.062 4.711 4.640 0.015 0.000 0.208 116 D C 1.437 177.604 176.300 -0.221 0.000 0.963 116 D CA 0.971 54.861 54.000 -0.184 0.000 0.864 116 D CB -0.099 40.617 40.800 -0.140 0.000 0.936 116 D HN 0.548 nan 8.370 nan 0.000 0.505 117 K N -0.070 120.185 120.400 -0.241 0.000 2.167 117 K HA -0.008 4.321 4.320 0.015 0.000 0.203 117 K C 1.970 178.351 176.600 -0.365 0.000 1.052 117 K CA 0.785 56.890 56.287 -0.304 0.000 0.956 117 K CB -0.004 32.359 32.500 -0.229 0.000 0.735 117 K HN 0.017 nan 8.250 nan 0.000 0.451 118 T N 1.189 115.499 114.554 -0.406 0.000 2.597 118 T HA -0.179 4.180 4.350 0.015 0.000 0.267 118 T C 1.157 175.462 174.700 -0.658 0.000 1.053 118 T CA 1.672 63.392 62.100 -0.635 0.000 1.165 118 T CB -0.254 68.044 68.868 -0.950 0.000 0.863 118 T HN 0.146 nan 8.240 nan 0.000 0.427 119 F N 0.309 120.175 119.950 -0.141 0.000 2.654 119 F HA 0.630 5.166 4.527 0.015 0.000 0.303 119 F C 1.939 177.664 175.800 -0.125 0.000 1.099 119 F CA -0.758 57.192 58.000 -0.083 0.000 1.270 119 F CB -0.594 38.413 39.000 0.012 0.000 1.024 119 F HN 0.096 nan 8.300 nan 0.000 0.548 120 A N 0.124 122.836 122.820 -0.179 0.000 1.940 120 A HA -0.181 4.148 4.320 0.015 0.000 0.219 120 A C 1.559 179.050 177.584 -0.154 0.000 1.176 120 A CA 1.769 53.640 52.037 -0.277 0.000 0.631 120 A CB -0.912 17.724 19.000 -0.606 0.000 0.814 120 A HN 0.312 nan 8.150 nan 0.000 0.446 121 F N -0.953 119.030 119.950 0.055 0.000 2.765 121 F HA 0.135 4.671 4.527 0.015 0.000 0.302 121 F C 1.024 176.861 175.800 0.061 0.000 1.111 121 F CA -1.095 56.932 58.000 0.045 0.000 1.359 121 F CB -0.897 38.118 39.000 0.025 0.000 1.097 121 F HN 0.080 nan 8.300 nan 0.000 0.577 122 c N 1.901 120.630 118.600 0.215 0.000 3.057 122 c HA 0.156 4.735 4.570 0.015 0.000 0.563 122 c C 2.067 176.231 174.090 0.124 0.000 1.129 122 c CA 0.129 56.559 56.329 0.169 0.000 1.284 122 c CB -2.368 40.257 42.510 0.191 0.000 1.532 122 c HN 0.546 nan 8.230 nan 0.000 0.631 123 T N -2.381 112.245 114.554 0.121 0.000 3.023 123 T HA -0.085 4.273 4.350 0.015 0.000 0.266 123 T C 1.297 176.034 174.700 0.061 0.000 1.093 123 T CA 1.204 63.359 62.100 0.091 0.000 1.129 123 T CB -0.202 68.723 68.868 0.096 0.000 0.899 123 T HN 0.445 nan 8.240 nan 0.000 0.491 124 N N 0.589 119.323 118.700 0.057 0.000 2.353 124 N HA 0.280 5.029 4.740 0.015 0.000 0.185 124 N C 0.161 175.685 175.510 0.024 0.000 1.098 124 N CA -0.107 52.966 53.050 0.039 0.000 0.872 124 N CB -0.358 38.153 38.487 0.039 0.000 0.970 124 N HN 0.483 nan 8.380 nan 0.000 0.467 125 L N 0.780 122.014 121.223 0.019 0.000 2.559 125 L HA -0.038 4.310 4.340 0.015 0.000 0.282 125 L C 1.590 178.445 176.870 -0.025 0.000 1.232 125 L CA 0.422 55.256 54.840 -0.010 0.000 0.885 125 L CB 0.476 42.511 42.059 -0.041 0.000 1.131 125 L HN 0.214 nan 8.230 nan 0.000 0.498 126 T N -1.702 112.833 114.554 -0.032 0.000 2.969 126 T HA 0.203 4.562 4.350 0.015 0.000 0.250 126 T C 0.438 175.092 174.700 -0.077 0.000 1.021 126 T CA -0.244 61.832 62.100 -0.040 0.000 1.003 126 T CB 0.381 69.239 68.868 -0.017 0.000 1.040 126 T HN 0.584 nan 8.240 nan 0.000 0.492 127 E N 0.742 120.889 120.200 -0.088 0.000 2.263 127 E HA 0.617 4.976 4.350 0.015 0.000 0.268 127 E C -2.123 174.342 176.600 -0.226 0.000 0.884 127 E CA -0.906 55.390 56.400 -0.172 0.000 0.766 127 E CB 2.653 32.326 29.700 -0.044 0.000 1.196 127 E HN 0.089 nan 8.360 nan 0.000 0.416 128 L N 3.037 124.018 121.223 -0.404 0.000 2.404 128 L HA 0.394 4.742 4.340 0.015 0.000 0.272 128 L C -1.761 174.838 176.870 -0.452 0.000 0.980 128 L CA -0.531 54.092 54.840 -0.361 0.000 0.836 128 L CB 0.995 42.793 42.059 -0.435 0.000 1.238 128 L HN 0.556 nan 8.230 nan 0.000 0.408 129 H N 5.880 124.877 119.070 -0.123 0.000 2.595 129 H HA 0.544 5.109 4.556 0.015 0.000 0.313 129 H C 0.040 175.328 175.328 -0.066 0.000 1.023 129 H CA -0.255 55.739 56.048 -0.091 0.000 1.218 129 H CB 1.404 31.125 29.762 -0.069 0.000 1.403 129 H HN 0.585 nan 8.280 nan 0.000 0.477 130 L N 2.833 124.072 121.223 0.028 0.000 3.267 130 L HA 0.263 4.612 4.340 0.015 0.000 0.289 130 L C -0.455 176.437 176.870 0.038 0.000 1.260 130 L CA -0.348 54.519 54.840 0.045 0.000 1.034 130 L CB 0.084 42.188 42.059 0.075 0.000 1.413 130 L HN 0.539 nan 8.230 nan 0.000 0.594 131 M N -0.215 119.407 119.600 0.036 0.000 2.252 131 M HA 0.010 4.499 4.480 0.015 0.000 0.329 131 M C 1.180 177.485 176.300 0.009 0.000 1.101 131 M CA 0.800 56.130 55.300 0.050 0.000 1.117 131 M CB -0.029 32.611 32.600 0.065 0.000 1.563 131 M HN 0.133 nan 8.290 nan 0.000 0.445 132 S N 1.361 117.090 115.700 0.049 0.000 3.711 132 S HA -0.147 4.332 4.470 0.015 0.000 0.374 132 S C 0.256 174.803 174.600 -0.089 0.000 0.969 132 S CA 0.365 58.564 58.200 -0.003 0.000 1.198 132 S CB -1.530 61.672 63.200 0.004 0.000 0.903 132 S HN 0.854 nan 8.310 nan 0.000 0.493 133 N N 0.547 119.223 118.700 -0.040 0.000 2.238 133 N HA 0.120 4.868 4.740 0.015 0.000 0.235 133 N C 0.453 175.944 175.510 -0.031 0.000 1.209 133 N CA 0.653 53.672 53.050 -0.051 0.000 0.879 133 N CB 0.831 39.313 38.487 -0.009 0.000 1.136 133 N HN 0.835 nan 8.380 nan 0.000 0.517 134 S N 0.106 115.794 115.700 -0.019 0.000 3.486 134 S HA -0.237 4.242 4.470 0.015 0.000 0.371 134 S C 0.317 174.920 174.600 0.006 0.000 1.001 134 S CA 0.414 58.611 58.200 -0.005 0.000 1.164 134 S CB -2.634 60.556 63.200 -0.017 0.000 0.911 134 S HN 0.330 nan 8.310 nan 0.000 0.472 135 I N 1.330 121.912 120.570 0.021 0.000 2.587 135 I HA 0.057 4.236 4.170 0.015 0.000 0.284 135 I C 1.690 177.824 176.117 0.028 0.000 1.134 135 I CA 0.084 61.403 61.300 0.032 0.000 1.410 135 I CB 0.540 38.578 38.000 0.063 0.000 1.392 135 I HN 0.371 nan 8.210 nan 0.000 0.545 136 Q N 5.147 124.958 119.800 0.019 0.000 2.394 136 Q HA 0.242 4.591 4.340 0.015 0.000 0.218 136 Q C 0.351 176.361 176.000 0.016 0.000 0.907 136 Q CA 0.558 56.370 55.803 0.014 0.000 0.919 136 Q CB 1.009 29.750 28.738 0.006 0.000 1.051 136 Q HN 0.534 nan 8.270 nan 0.000 0.538 137 K N 0.460 120.870 120.400 0.016 0.000 2.523 137 K HA 0.496 4.824 4.320 0.015 0.000 0.257 137 K C -1.590 175.019 176.600 0.015 0.000 0.932 137 K CA -0.412 55.883 56.287 0.014 0.000 0.812 137 K CB 1.951 34.451 32.500 -0.000 0.000 1.326 137 K HN -0.079 nan 8.250 nan 0.000 0.433 138 I N 3.724 124.307 120.570 0.022 0.000 2.406 138 I HA 0.270 4.449 4.170 0.015 0.000 0.290 138 I C 0.585 176.692 176.117 -0.017 0.000 0.999 138 I CA -0.351 60.953 61.300 0.006 0.000 1.124 138 I CB 1.868 39.902 38.000 0.057 0.000 1.289 138 I HN 0.591 nan 8.210 nan 0.000 0.441 139 K N 3.120 123.491 120.400 -0.048 0.000 2.350 139 K HA 0.249 4.578 4.320 0.015 0.000 0.196 139 K C 0.371 176.938 176.600 -0.056 0.000 1.084 139 K CA 0.479 56.738 56.287 -0.046 0.000 0.967 139 K CB 0.489 32.959 32.500 -0.049 0.000 0.950 139 K HN 0.554 nan 8.250 nan 0.000 0.512 140 N N -0.383 118.269 118.700 -0.080 0.000 2.356 140 N HA 0.165 4.914 4.740 0.015 0.000 0.110 140 N C -0.790 174.666 175.510 -0.090 0.000 1.739 140 N CA -0.634 52.369 53.050 -0.078 0.000 1.227 140 N CB 0.658 39.096 38.487 -0.083 0.000 1.075 140 N HN -0.138 nan 8.380 nan 0.000 0.322 141 N N 1.252 119.886 118.700 -0.110 0.000 2.813 141 N HA 0.237 4.985 4.740 0.015 0.000 0.282 141 N C -2.343 173.058 175.510 -0.181 0.000 1.748 141 N CA -0.806 52.175 53.050 -0.114 0.000 0.860 141 N CB 1.962 40.406 38.487 -0.072 0.000 1.204 141 N HN 0.310 nan 8.380 nan 0.000 0.490 142 P HA -0.017 nan 4.420 nan 0.000 0.226 142 P C 0.387 177.440 177.300 -0.413 0.000 1.153 142 P CA 0.830 63.649 63.100 -0.469 0.000 0.777 142 P CB 0.036 31.297 31.700 -0.732 0.000 0.794 143 F N -1.887 118.098 119.950 0.058 0.000 2.654 143 F HA 0.187 4.723 4.527 0.015 0.000 0.303 143 F C 2.026 177.824 175.800 -0.003 0.000 1.099 143 F CA -0.469 57.545 58.000 0.024 0.000 1.270 143 F CB -0.919 38.076 39.000 -0.009 0.000 1.024 143 F HN -0.266 nan 8.300 nan 0.000 0.548 144 V N 0.628 120.595 119.914 0.088 0.000 2.667 144 V HA -0.135 3.994 4.120 0.015 0.000 0.252 144 V C 2.054 178.177 176.094 0.048 0.000 1.065 144 V CA 1.627 63.954 62.300 0.045 0.000 1.083 144 V CB -0.129 31.693 31.823 -0.002 0.000 0.692 144 V HN 0.082 nan 8.190 nan 0.000 0.468 145 K N -0.132 120.303 120.400 0.058 0.000 2.487 145 K HA 0.088 4.417 4.320 0.015 0.000 0.192 145 K C 1.028 177.672 176.600 0.073 0.000 1.027 145 K CA 0.204 56.527 56.287 0.061 0.000 1.054 145 K CB -0.139 32.396 32.500 0.059 0.000 0.824 145 K HN 0.418 nan 8.250 nan 0.000 0.510 146 Q N 1.048 120.899 119.800 0.086 0.000 3.179 146 Q HA 0.089 4.438 4.340 0.015 0.000 0.328 146 Q C 0.606 176.631 176.000 0.042 0.000 1.336 146 Q CA 0.203 56.043 55.803 0.061 0.000 0.939 146 Q CB 0.045 28.814 28.738 0.053 0.000 1.658 146 Q HN 0.104 nan 8.270 nan 0.000 0.486 147 K N -0.532 119.893 120.400 0.043 0.000 2.283 147 K HA -0.079 4.250 4.320 0.015 0.000 0.202 147 K C 0.463 177.081 176.600 0.030 0.000 1.048 147 K CA 1.054 57.363 56.287 0.036 0.000 0.948 147 K CB 0.226 32.748 32.500 0.036 0.000 0.742 147 K HN 0.386 nan 8.250 nan 0.000 0.458 148 N N 0.296 119.010 118.700 0.023 0.000 2.236 148 N HA 0.043 4.791 4.740 0.015 0.000 0.196 148 N C -0.532 174.977 175.510 -0.000 0.000 1.114 148 N CA -0.348 52.711 53.050 0.015 0.000 0.859 148 N CB 0.373 38.870 38.487 0.016 0.000 0.982 148 N HN -0.041 nan 8.380 nan 0.000 0.493 149 L N 1.524 122.741 121.223 -0.010 0.000 2.499 149 L HA 0.022 4.370 4.340 0.015 0.000 0.273 149 L C 0.738 177.583 176.870 -0.041 0.000 1.195 149 L CA 0.520 55.333 54.840 -0.045 0.000 0.882 149 L CB 0.415 42.428 42.059 -0.077 0.000 1.133 149 L HN 0.122 nan 8.230 nan 0.000 0.483 150 I N 1.752 122.285 120.570 -0.061 0.000 3.300 150 I HA 0.141 4.320 4.170 0.015 0.000 0.279 150 I C 0.541 176.606 176.117 -0.087 0.000 1.172 150 I CA 0.597 61.867 61.300 -0.051 0.000 1.431 150 I CB -0.408 37.569 38.000 -0.038 0.000 1.240 150 I HN 0.504 nan 8.210 nan 0.000 0.453 151 T N 3.482 117.952 114.554 -0.140 0.000 2.841 151 T HA 0.572 4.931 4.350 0.015 0.000 0.285 151 T C -0.917 173.609 174.700 -0.291 0.000 0.991 151 T CA -0.262 61.721 62.100 -0.196 0.000 0.966 151 T CB 2.479 71.227 68.868 -0.200 0.000 0.962 151 T HN -0.098 nan 8.240 nan 0.000 0.438 152 L N 3.381 124.430 121.223 -0.290 0.000 2.376 152 L HA 0.650 4.999 4.340 0.015 0.000 0.275 152 L C -1.353 175.335 176.870 -0.304 0.000 0.987 152 L CA -0.398 54.221 54.840 -0.367 0.000 0.828 152 L CB 1.559 43.368 42.059 -0.417 0.000 1.249 152 L HN 0.489 nan 8.230 nan 0.000 0.409 153 D N 4.975 125.196 120.400 -0.299 0.000 2.440 153 D HA 0.323 4.972 4.640 0.015 0.000 0.239 153 D C -0.213 176.025 176.300 -0.103 0.000 1.084 153 D CA -0.069 53.831 54.000 -0.166 0.000 0.843 153 D CB 1.274 42.018 40.800 -0.093 0.000 1.097 153 D HN 0.655 nan 8.370 nan 0.000 0.531 154 L N 2.185 123.363 121.223 -0.075 0.000 3.066 154 L HA 0.209 4.558 4.340 0.015 0.000 0.265 154 L C 0.705 177.579 176.870 0.005 0.000 1.232 154 L CA -0.236 54.593 54.840 -0.019 0.000 1.031 154 L CB 0.464 42.519 42.059 -0.007 0.000 1.379 154 L HN 0.156 nan 8.230 nan 0.000 0.563 155 S N -0.379 115.325 115.700 0.006 0.000 2.569 155 S HA 0.022 4.501 4.470 0.015 0.000 0.274 155 S C 0.461 175.112 174.600 0.085 0.000 1.353 155 S CA 0.000 58.199 58.200 -0.002 0.000 1.023 155 S CB 0.007 63.234 63.200 0.045 0.000 0.876 155 S HN 0.428 nan 8.310 nan 0.000 0.540 156 H N 0.588 119.661 119.070 0.004 0.000 2.748 156 H HA -0.137 4.428 4.556 0.015 0.000 0.322 156 H C 0.027 175.359 175.328 0.007 0.000 1.208 156 H CA 0.476 56.530 56.048 0.011 0.000 1.151 156 H CB -1.654 28.120 29.762 0.019 0.000 1.505 156 H HN 0.490 nan 8.280 nan 0.000 0.429 157 N N -0.593 118.146 118.700 0.064 0.000 3.294 157 N HA 0.419 5.168 4.740 0.015 0.000 0.355 157 N C 1.193 176.720 175.510 0.029 0.000 1.497 157 N CA 0.106 53.184 53.050 0.048 0.000 0.707 157 N CB 1.122 39.636 38.487 0.046 0.000 1.732 157 N HN 0.280 nan 8.380 nan 0.000 0.640 158 G N 0.461 109.275 108.800 0.024 0.000 4.222 158 G HA2 0.343 4.312 3.960 0.015 0.000 0.301 158 G HA3 0.343 4.312 3.960 0.015 0.000 0.301 158 G C -0.063 174.845 174.900 0.014 0.000 1.171 158 G CA -0.149 44.961 45.100 0.016 0.000 0.937 158 G HN 0.222 nan 8.290 nan 0.000 0.557 159 L N 1.587 122.821 121.223 0.018 0.000 2.410 159 L HA 0.187 4.536 4.340 0.015 0.000 0.273 159 L C 1.449 178.325 176.870 0.010 0.000 1.152 159 L CA -0.291 54.562 54.840 0.021 0.000 0.855 159 L CB 1.524 43.604 42.059 0.035 0.000 1.129 159 L HN 0.269 nan 8.230 nan 0.000 0.463 160 S N -0.385 115.319 115.700 0.008 0.000 2.557 160 S HA 0.147 4.626 4.470 0.015 0.000 0.223 160 S C 0.369 174.967 174.600 -0.004 0.000 0.969 160 S CA -0.425 57.774 58.200 -0.002 0.000 0.927 160 S CB 0.404 63.601 63.200 -0.006 0.000 0.806 160 S HN 0.554 nan 8.310 nan 0.000 0.489 161 S N 0.898 116.603 115.700 0.009 0.000 2.579 161 S HA 0.495 4.974 4.470 0.015 0.000 0.272 161 S C 0.499 175.121 174.600 0.036 0.000 1.141 161 S CA 0.001 58.209 58.200 0.013 0.000 0.843 161 S CB 1.513 64.721 63.200 0.014 0.000 1.122 161 S HN 0.341 nan 8.310 nan 0.000 0.468 162 T N -0.130 114.451 114.554 0.045 0.000 3.107 162 T HA 0.279 4.638 4.350 0.015 0.000 0.249 162 T C 0.466 175.240 174.700 0.124 0.000 1.096 162 T CA 0.053 62.205 62.100 0.086 0.000 1.012 162 T CB -0.282 68.643 68.868 0.095 0.000 0.977 162 T HN 0.447 nan 8.240 nan 0.000 0.527 163 K N 1.411 121.861 120.400 0.083 0.000 2.383 163 K HA 0.292 4.621 4.320 0.015 0.000 0.286 163 K C 0.081 176.737 176.600 0.094 0.000 1.051 163 K CA -0.177 56.153 56.287 0.071 0.000 0.974 163 K CB 0.310 32.828 32.500 0.031 0.000 0.968 163 K HN 0.349 nan 8.250 nan 0.000 0.475 164 L N 2.850 124.137 121.223 0.105 0.000 3.086 164 L HA 0.317 4.666 4.340 0.015 0.000 0.274 164 L C 0.599 177.535 176.870 0.111 0.000 1.184 164 L CA -0.364 54.587 54.840 0.186 0.000 1.002 164 L CB 1.184 43.428 42.059 0.309 0.000 1.383 164 L HN 0.868 nan 8.230 nan 0.000 0.582 165 G N -0.507 108.298 108.800 0.008 0.000 2.342 165 G HA2 0.286 4.255 3.960 0.015 0.000 0.297 165 G HA3 0.286 4.255 3.960 0.015 0.000 0.297 165 G C -0.128 174.737 174.900 -0.057 0.000 1.313 165 G CA 0.448 45.526 45.100 -0.037 0.000 0.830 165 G HN -0.153 nan 8.290 nan 0.000 0.506 166 T N -2.868 111.649 114.554 -0.061 0.000 3.111 166 T HA 0.428 4.787 4.350 0.015 0.000 0.284 166 T C 0.370 175.036 174.700 -0.057 0.000 0.983 166 T CA 0.735 62.803 62.100 -0.053 0.000 0.900 166 T CB -0.045 68.798 68.868 -0.043 0.000 1.132 166 T HN 1.031 nan 8.240 nan 0.000 0.531 167 Q N 0.049 119.806 119.800 -0.072 0.000 2.462 167 Q HA 0.671 5.020 4.340 0.015 0.000 0.285 167 Q C -1.435 174.509 176.000 -0.093 0.000 1.035 167 Q CA -1.195 54.569 55.803 -0.066 0.000 0.799 167 Q CB 1.770 30.480 28.738 -0.047 0.000 1.452 167 Q HN -0.022 nan 8.270 nan 0.000 0.404 168 V N 2.697 122.565 119.914 -0.078 0.000 2.617 168 V HA 0.003 4.132 4.120 0.015 0.000 0.304 168 V C 0.144 176.191 176.094 -0.079 0.000 1.040 168 V CA 1.075 63.322 62.300 -0.088 0.000 1.149 168 V CB -0.256 31.540 31.823 -0.044 0.000 0.914 168 V HN 0.880 nan 8.190 nan 0.000 0.487 169 Q N 3.556 123.291 119.800 -0.109 0.000 2.869 169 Q HA 0.538 4.886 4.340 0.015 0.000 0.322 169 Q C -0.397 175.576 176.000 -0.046 0.000 0.832 169 Q CA -1.322 54.443 55.803 -0.063 0.000 0.791 169 Q CB 1.147 29.849 28.738 -0.060 0.000 1.412 169 Q HN 0.288 nan 8.270 nan 0.000 0.483 170 L N 0.172 121.406 121.223 0.017 0.000 3.742 170 L HA -0.280 4.068 4.340 0.015 0.000 0.431 170 L C 0.367 177.309 176.870 0.119 0.000 1.220 170 L CA 0.725 55.614 54.840 0.082 0.000 0.863 170 L CB -1.181 40.972 42.059 0.156 0.000 1.751 170 L HN 0.711 nan 8.230 nan 0.000 0.922 171 E N -0.315 119.931 120.200 0.076 0.000 2.204 171 E HA -0.112 4.247 4.350 0.015 0.000 0.195 171 E C 1.592 178.241 176.600 0.081 0.000 0.990 171 E CA 1.245 57.693 56.400 0.080 0.000 0.821 171 E CB -0.025 29.706 29.700 0.053 0.000 0.750 171 E HN 0.531 nan 8.360 nan 0.000 0.477 172 N N 0.173 118.912 118.700 0.065 0.000 2.336 172 N HA 0.022 4.770 4.740 0.015 0.000 0.189 172 N C -0.182 175.357 175.510 0.047 0.000 1.113 172 N CA -0.058 53.023 53.050 0.052 0.000 0.858 172 N CB 0.159 38.667 38.487 0.034 0.000 0.970 172 N HN 0.127 nan 8.380 nan 0.000 0.471 173 L N 1.386 122.649 121.223 0.066 0.000 2.499 173 L HA -0.030 4.319 4.340 0.015 0.000 0.273 173 L C 1.248 178.129 176.870 0.018 0.000 1.195 173 L CA 0.797 55.658 54.840 0.036 0.000 0.882 173 L CB 0.699 42.803 42.059 0.075 0.000 1.133 173 L HN 0.071 nan 8.230 nan 0.000 0.483 174 Q N 2.312 122.106 119.800 -0.010 0.000 2.431 174 Q HA 0.251 4.600 4.340 0.015 0.000 0.244 174 Q C -0.490 175.495 176.000 -0.025 0.000 0.880 174 Q CA 0.246 56.053 55.803 0.007 0.000 0.954 174 Q CB 0.805 29.552 28.738 0.016 0.000 1.105 174 Q HN 0.644 nan 8.270 nan 0.000 0.558 175 E N 1.106 121.264 120.200 -0.070 0.000 2.218 175 E HA 0.360 4.719 4.350 0.015 0.000 0.263 175 E C -1.701 174.809 176.600 -0.151 0.000 0.879 175 E CA -0.576 55.766 56.400 -0.096 0.000 0.762 175 E CB 2.335 31.978 29.700 -0.094 0.000 1.166 175 E HN -0.089 nan 8.360 nan 0.000 0.415 176 L N 4.466 125.585 121.223 -0.173 0.000 2.316 176 L HA 0.409 4.758 4.340 0.015 0.000 0.280 176 L C -1.821 174.958 176.870 -0.152 0.000 1.006 176 L CA -0.522 54.194 54.840 -0.207 0.000 0.836 176 L CB 0.907 42.764 42.059 -0.336 0.000 1.221 176 L HN 0.462 nan 8.230 nan 0.000 0.418 177 L N 6.561 127.698 121.223 -0.143 0.000 2.298 177 L HA 0.465 4.813 4.340 0.015 0.000 0.284 177 L C 0.159 176.978 176.870 -0.085 0.000 1.013 177 L CA 0.097 54.868 54.840 -0.116 0.000 0.824 177 L CB 1.451 43.440 42.059 -0.117 0.000 1.221 177 L HN 0.614 nan 8.230 nan 0.000 0.418 178 L N 2.133 123.318 121.223 -0.064 0.000 3.366 178 L HA 0.223 4.572 4.340 0.015 0.000 0.304 178 L C 0.685 177.523 176.870 -0.053 0.000 1.292 178 L CA -0.094 54.721 54.840 -0.042 0.000 1.012 178 L CB 0.761 42.811 42.059 -0.014 0.000 1.414 178 L HN 0.693 nan 8.230 nan 0.000 0.603 179 S N -0.995 114.653 115.700 -0.086 0.000 2.593 179 S HA 0.189 4.668 4.470 0.015 0.000 0.269 179 S C 0.655 175.120 174.600 -0.224 0.000 1.334 179 S CA -0.014 58.114 58.200 -0.121 0.000 1.015 179 S CB 0.579 63.704 63.200 -0.125 0.000 0.912 179 S HN 0.526 nan 8.310 nan 0.000 0.541 180 N N 1.047 119.612 118.700 -0.225 0.000 2.738 180 N HA -0.147 4.602 4.740 0.015 0.000 0.249 180 N C -0.629 174.780 175.510 -0.168 0.000 1.047 180 N CA 0.929 53.809 53.050 -0.284 0.000 0.707 180 N CB -1.563 36.467 38.487 -0.763 0.000 0.937 180 N HN 0.633 nan 8.380 nan 0.000 0.545 181 N N 0.141 118.789 118.700 -0.087 0.000 2.938 181 N HA 0.365 5.114 4.740 0.015 0.000 0.335 181 N C 0.180 175.676 175.510 -0.023 0.000 1.358 181 N CA -0.460 52.566 53.050 -0.039 0.000 0.812 181 N CB 0.569 39.042 38.487 -0.023 0.000 1.233 181 N HN -0.010 nan 8.380 nan 0.000 0.593 182 K N 1.136 121.530 120.400 -0.011 0.000 2.861 182 K HA 0.411 4.739 4.320 0.015 0.000 0.210 182 K C -0.341 176.250 176.600 -0.014 0.000 1.112 182 K CA -0.221 56.060 56.287 -0.010 0.000 1.076 182 K CB -0.043 32.454 32.500 -0.005 0.000 0.853 182 K HN 0.432 nan 8.250 nan 0.000 0.463 183 I N 1.414 121.975 120.570 -0.016 0.000 2.471 183 I HA -0.009 4.169 4.170 0.015 0.000 0.286 183 I C 1.447 177.538 176.117 -0.044 0.000 1.079 183 I CA 0.377 61.663 61.300 -0.024 0.000 1.398 183 I CB 0.734 38.726 38.000 -0.013 0.000 1.403 183 I HN 0.115 nan 8.210 nan 0.000 0.530 184 Q N 4.843 124.607 119.800 -0.060 0.000 2.280 184 Q HA 0.426 4.775 4.340 0.015 0.000 0.228 184 Q C -0.093 175.827 176.000 -0.133 0.000 0.857 184 Q CA -0.097 55.657 55.803 -0.081 0.000 0.939 184 Q CB 1.280 29.983 28.738 -0.057 0.000 1.114 184 Q HN 0.821 nan 8.270 nan 0.000 0.514 185 A N 0.617 123.352 122.820 -0.141 0.000 2.605 185 A HA 0.633 4.962 4.320 0.015 0.000 0.294 185 A C -1.784 175.697 177.584 -0.172 0.000 1.062 185 A CA -0.638 51.281 52.037 -0.198 0.000 0.682 185 A CB 1.046 19.961 19.000 -0.142 0.000 1.278 185 A HN 0.132 nan 8.150 nan 0.000 0.410 186 L N 1.092 122.183 121.223 -0.221 0.000 2.329 186 L HA 0.648 4.997 4.340 0.015 0.000 0.279 186 L C -0.356 176.431 176.870 -0.137 0.000 1.014 186 L CA -0.570 54.175 54.840 -0.158 0.000 0.814 186 L CB 2.060 44.014 42.059 -0.175 0.000 1.257 186 L HN 0.780 nan 8.230 nan 0.000 0.424 187 K N 0.752 121.093 120.400 -0.097 0.000 2.464 187 K HA 0.264 4.593 4.320 0.015 0.000 0.253 187 K C 0.270 176.841 176.600 -0.049 0.000 0.933 187 K CA -0.587 55.658 56.287 -0.069 0.000 0.801 187 K CB 2.331 34.803 32.500 -0.047 0.000 1.271 187 K HN 0.415 nan 8.250 nan 0.000 0.430 188 S N 1.488 117.165 115.700 -0.037 0.000 2.383 188 S HA -0.179 4.300 4.470 0.015 0.000 0.229 188 S C 1.076 175.679 174.600 0.004 0.000 1.030 188 S CA 1.683 59.877 58.200 -0.009 0.000 1.002 188 S CB -0.028 63.174 63.200 0.003 0.000 0.829 188 S HN 0.617 nan 8.310 nan 0.000 0.467 189 E N -0.067 120.130 120.200 -0.006 0.000 2.347 189 E HA -0.079 4.280 4.350 0.015 0.000 0.196 189 E C 1.864 178.463 176.600 -0.001 0.000 1.008 189 E CA 0.735 57.132 56.400 -0.005 0.000 0.852 189 E CB 0.012 29.704 29.700 -0.012 0.000 0.783 189 E HN 0.678 nan 8.360 nan 0.000 0.505 190 E N 0.070 120.275 120.200 0.009 0.000 2.216 190 E HA 0.012 4.371 4.350 0.015 0.000 0.192 190 E C 1.578 178.222 176.600 0.073 0.000 0.973 190 E CA 0.322 56.739 56.400 0.027 0.000 0.851 190 E CB 0.312 30.026 29.700 0.024 0.000 0.804 190 E HN 0.164 nan 8.360 nan 0.000 0.477 191 L N 1.526 122.808 121.223 0.098 0.000 2.592 191 L HA 0.009 4.358 4.340 0.015 0.000 0.227 191 L C 1.189 178.176 176.870 0.196 0.000 1.127 191 L CA -0.003 54.977 54.840 0.232 0.000 0.884 191 L CB 0.071 42.244 42.059 0.189 0.000 1.065 191 L HN 0.109 nan 8.230 nan 0.000 0.457 192 D N 0.373 120.809 120.400 0.060 0.000 2.349 192 D HA -0.151 4.498 4.640 0.015 0.000 0.224 192 D C 1.831 178.099 176.300 -0.052 0.000 1.029 192 D CA 0.269 54.287 54.000 0.030 0.000 0.879 192 D CB -0.286 40.524 40.800 0.018 0.000 0.906 192 D HN 0.536 nan 8.370 nan 0.000 0.528 193 I N -3.299 117.159 120.570 -0.187 0.000 2.756 193 I HA -0.024 4.155 4.170 0.015 0.000 0.262 193 I C 0.658 176.504 176.117 -0.452 0.000 1.225 193 I CA 0.645 61.733 61.300 -0.354 0.000 1.472 193 I CB -0.607 37.097 38.000 -0.494 0.000 1.094 193 I HN -0.262 nan 8.210 nan 0.000 0.454 194 F N 1.632 121.593 119.950 0.018 0.000 2.664 194 F HA 0.480 5.016 4.527 0.015 0.000 0.301 194 F C 2.371 178.178 175.800 0.012 0.000 1.126 194 F CA 0.132 58.140 58.000 0.014 0.000 1.373 194 F CB -0.450 38.558 39.000 0.014 0.000 1.042 194 F HN 0.063 nan 8.300 nan 0.000 0.535 195 A N 0.246 123.128 122.820 0.103 0.000 2.024 195 A HA -0.208 4.121 4.320 0.015 0.000 0.220 195 A C 1.756 179.382 177.584 0.070 0.000 1.164 195 A CA 1.776 53.860 52.037 0.077 0.000 0.643 195 A CB -0.442 18.580 19.000 0.037 0.000 0.806 195 A HN 0.328 nan 8.150 nan 0.000 0.451 196 N N -0.412 118.331 118.700 0.072 0.000 2.214 196 N HA 0.159 4.908 4.740 0.015 0.000 0.214 196 N C -0.678 174.885 175.510 0.088 0.000 1.132 196 N CA 0.110 53.200 53.050 0.065 0.000 0.856 196 N CB 0.563 39.078 38.487 0.046 0.000 1.020 196 N HN 0.219 nan 8.380 nan 0.000 0.509 197 S N -0.438 115.338 115.700 0.127 0.000 2.525 197 S HA 0.428 4.907 4.470 0.015 0.000 0.290 197 S C -0.013 174.632 174.600 0.075 0.000 1.152 197 S CA -0.636 57.646 58.200 0.137 0.000 1.072 197 S CB 1.645 64.999 63.200 0.255 0.000 1.027 197 S HN -0.032 nan 8.310 nan 0.000 0.500 198 S N 2.794 118.541 115.700 0.079 0.000 2.488 198 S HA 0.335 4.814 4.470 0.015 0.000 0.310 198 S C -0.264 174.397 174.600 0.102 0.000 1.093 198 S CA -0.582 57.664 58.200 0.076 0.000 1.129 198 S CB -0.225 63.123 63.200 0.246 0.000 0.989 198 S HN 0.494 nan 8.310 nan 0.000 0.479 199 L N 4.215 125.432 121.223 -0.009 0.000 2.325 199 L HA 0.291 4.640 4.340 0.015 0.000 0.284 199 L C 1.355 178.316 176.870 0.151 0.000 1.089 199 L CA -0.345 54.499 54.840 0.007 0.000 0.836 199 L CB 0.475 42.466 42.059 -0.113 0.000 1.184 199 L HN 0.559 nan 8.230 nan 0.000 0.444 200 K N 2.121 122.651 120.400 0.217 0.000 2.148 200 K HA -0.052 4.277 4.320 0.015 0.000 0.204 200 K C 0.627 177.340 176.600 0.187 0.000 1.050 200 K CA 1.120 57.556 56.287 0.249 0.000 0.942 200 K CB 0.182 32.757 32.500 0.125 0.000 0.724 200 K HN 0.366 nan 8.250 nan 0.000 0.446 201 K N 1.070 121.539 120.400 0.116 0.000 2.541 201 K HA 0.209 4.538 4.320 0.015 0.000 0.250 201 K C -1.977 174.658 176.600 0.060 0.000 0.950 201 K CA -0.629 55.750 56.287 0.154 0.000 0.805 201 K CB 1.337 33.877 32.500 0.068 0.000 1.166 201 K HN -0.143 nan 8.250 nan 0.000 0.430 202 L N 3.817 125.117 121.223 0.129 0.000 2.318 202 L HA 0.430 4.779 4.340 0.015 0.000 0.277 202 L C -1.033 175.936 176.870 0.164 0.000 1.008 202 L CA -0.046 54.829 54.840 0.058 0.000 0.846 202 L CB 1.364 43.443 42.059 0.033 0.000 1.220 202 L HN 0.606 nan 8.230 nan 0.000 0.423 203 E N 5.400 125.627 120.200 0.045 0.000 2.055 203 E HA 0.289 4.648 4.350 0.015 0.000 0.274 203 E C -0.296 176.330 176.600 0.045 0.000 0.949 203 E CA -0.038 56.378 56.400 0.026 0.000 0.775 203 E CB 1.155 30.745 29.700 -0.183 0.000 1.097 203 E HN 0.749 nan 8.360 nan 0.000 0.404 204 L N 2.222 123.516 121.223 0.119 0.000 3.066 204 L HA 0.180 4.529 4.340 0.015 0.000 0.265 204 L C 0.466 177.389 176.870 0.088 0.000 1.232 204 L CA -0.124 54.775 54.840 0.098 0.000 1.031 204 L CB 0.648 42.800 42.059 0.155 0.000 1.379 204 L HN 0.169 nan 8.230 nan 0.000 0.563 205 S N -0.140 115.607 115.700 0.079 0.000 2.566 205 S HA 0.032 4.511 4.470 0.015 0.000 0.280 205 S C 1.091 175.695 174.600 0.006 0.000 1.343 205 S CA 0.028 58.265 58.200 0.061 0.000 1.036 205 S CB 0.702 63.934 63.200 0.052 0.000 0.866 205 S HN 0.430 nan 8.310 nan 0.000 0.526 206 S N 1.445 117.153 115.700 0.013 0.000 3.614 206 S HA -0.150 4.329 4.470 0.015 0.000 0.360 206 S C -0.247 174.342 174.600 -0.019 0.000 1.023 206 S CA 0.384 58.577 58.200 -0.012 0.000 1.114 206 S CB -1.546 61.624 63.200 -0.049 0.000 0.907 206 S HN 0.713 nan 8.310 nan 0.000 0.470 207 N N 0.981 119.684 118.700 0.006 0.000 2.319 207 N HA 0.230 4.979 4.740 0.015 0.000 0.305 207 N C -0.016 175.499 175.510 0.009 0.000 1.103 207 N CA -0.562 52.489 53.050 0.001 0.000 0.815 207 N CB 1.203 39.694 38.487 0.006 0.000 1.288 207 N HN 0.372 nan 8.380 nan 0.000 0.493 208 Q N 1.856 121.653 119.800 -0.006 0.000 3.170 208 Q HA 0.283 4.632 4.340 0.015 0.000 0.346 208 Q C -0.393 175.583 176.000 -0.040 0.000 1.333 208 Q CA -0.231 55.567 55.803 -0.009 0.000 0.958 208 Q CB -0.360 28.372 28.738 -0.009 0.000 1.600 208 Q HN 0.506 nan 8.270 nan 0.000 0.482 209 I N 1.961 122.498 120.570 -0.054 0.000 2.517 209 I HA -0.029 4.150 4.170 0.015 0.000 0.285 209 I C 0.865 176.862 176.117 -0.199 0.000 1.106 209 I CA 0.262 61.465 61.300 -0.163 0.000 1.402 209 I CB 0.648 38.522 38.000 -0.209 0.000 1.399 209 I HN 0.169 nan 8.210 nan 0.000 0.535 210 K N 5.240 125.504 120.400 -0.227 0.000 2.402 210 K HA 0.300 4.629 4.320 0.015 0.000 0.204 210 K C -0.111 176.362 176.600 -0.211 0.000 1.056 210 K CA 0.186 56.376 56.287 -0.162 0.000 1.069 210 K CB 0.799 33.249 32.500 -0.083 0.000 0.888 210 K HN 0.578 nan 8.250 nan 0.000 0.546 211 E N 0.076 120.039 120.200 -0.393 0.000 2.321 211 E HA 0.242 4.601 4.350 0.015 0.000 0.281 211 E C -1.554 174.726 176.600 -0.534 0.000 0.910 211 E CA -0.407 55.803 56.400 -0.316 0.000 0.770 211 E CB 1.190 30.792 29.700 -0.163 0.000 1.225 211 E HN -0.165 nan 8.360 nan 0.000 0.417 212 F N 2.250 122.183 119.950 -0.029 0.000 2.310 212 F HA 0.242 4.777 4.527 0.014 0.000 0.365 212 F C 0.744 176.495 175.800 -0.082 0.000 1.080 212 F CA -0.505 57.446 58.000 -0.081 0.000 1.187 212 F CB 1.560 40.551 39.000 -0.015 0.000 1.465 212 F HN 0.159 nan 8.300 nan 0.000 0.496 213 S N 3.722 119.420 115.700 -0.004 0.000 2.537 213 S HA 0.202 4.680 4.470 0.015 0.000 0.286 213 S C -2.316 172.289 174.600 0.008 0.000 1.299 213 S CA -1.080 57.115 58.200 -0.008 0.000 1.067 213 S CB 0.372 63.548 63.200 -0.039 0.000 0.864 213 S HN 0.186 nan 8.310 nan 0.000 0.494 214 P HA 0.074 nan 4.420 nan 0.000 0.257 214 P C 0.824 178.143 177.300 0.031 0.000 1.162 214 P CA 1.586 64.704 63.100 0.030 0.000 0.762 214 P CB 0.005 31.710 31.700 0.008 0.000 0.753 215 G N 2.572 111.425 108.800 0.088 0.000 2.175 215 G HA2 -0.384 3.585 3.960 0.015 0.000 0.244 215 G HA3 -0.384 3.585 3.960 0.015 0.000 0.244 215 G C 1.293 176.248 174.900 0.092 0.000 0.982 215 G CA 0.172 45.354 45.100 0.137 0.000 0.641 215 G HN 0.660 nan 8.290 nan 0.000 0.527 216 C N -0.909 118.367 119.300 -0.040 0.000 2.398 216 C HA 0.103 4.572 4.460 0.015 0.000 0.276 216 C C 2.274 177.135 174.990 -0.215 0.000 1.222 216 C CA 1.827 60.733 59.018 -0.187 0.000 1.746 216 C CB -1.613 25.928 27.740 -0.331 0.000 2.039 216 C HN 0.328 nan 8.230 nan 0.000 0.470 217 F N 0.632 120.585 119.950 0.005 0.000 2.456 217 F HA 0.053 4.588 4.527 0.014 0.000 0.298 217 F C 2.746 178.440 175.800 -0.176 0.000 1.104 217 F CA 1.172 59.109 58.000 -0.106 0.000 1.435 217 F CB -0.968 37.914 39.000 -0.197 0.000 1.078 217 F HN 0.375 nan 8.300 nan 0.000 0.546 218 H N -0.698 118.452 119.070 0.133 0.000 2.546 218 H HA 0.146 4.711 4.556 0.014 0.000 0.277 218 H C 2.192 177.550 175.328 0.051 0.000 1.004 218 H CA 0.898 56.986 56.048 0.068 0.000 1.231 218 H CB -0.152 29.628 29.762 0.030 0.000 1.382 218 H HN 0.255 nan 8.280 nan 0.000 0.580 219 A N 1.075 123.978 122.820 0.139 0.000 2.121 219 A HA 0.017 4.346 4.320 0.015 0.000 0.218 219 A C 1.270 178.927 177.584 0.123 0.000 1.154 219 A CA 0.247 52.348 52.037 0.108 0.000 0.679 219 A CB -0.355 18.695 19.000 0.084 0.000 0.795 219 A HN 0.153 nan 8.150 nan 0.000 0.458 220 I N -0.832 119.812 120.570 0.122 0.000 2.396 220 I HA 0.290 4.468 4.170 0.015 0.000 0.292 220 I C 1.806 177.958 176.117 0.058 0.000 0.999 220 I CA -0.243 61.130 61.300 0.121 0.000 1.310 220 I CB 1.522 39.568 38.000 0.076 0.000 1.404 220 I HN 0.195 nan 8.210 nan 0.000 0.496 221 G N 6.403 115.240 108.800 0.062 0.000 2.514 221 G HA2 -0.122 3.846 3.960 0.015 0.000 0.217 221 G HA3 -0.122 3.846 3.960 0.015 0.000 0.217 221 G C 0.692 175.566 174.900 -0.044 0.000 1.198 221 G CA 0.633 45.748 45.100 0.026 0.000 0.780 221 G HN 0.593 nan 8.290 nan 0.000 0.565 222 R N -1.246 119.176 120.500 -0.131 0.000 2.604 222 R HA 0.545 4.894 4.340 0.015 0.000 0.281 222 R C -2.012 173.992 176.300 -0.493 0.000 1.020 222 R CA -0.841 55.044 56.100 -0.358 0.000 0.899 222 R CB 2.250 32.228 30.300 -0.537 0.000 1.205 222 R HN 0.171 nan 8.270 nan 0.000 0.450 223 L N 2.712 123.610 121.223 -0.542 0.000 2.343 223 L HA 0.438 4.787 4.340 0.015 0.000 0.278 223 L C -0.877 175.699 176.870 -0.490 0.000 0.996 223 L CA -0.044 54.546 54.840 -0.416 0.000 0.831 223 L CB 1.034 42.952 42.059 -0.235 0.000 1.232 223 L HN 0.650 nan 8.230 nan 0.000 0.413 224 F N 2.833 122.755 119.950 -0.046 0.000 2.559 224 F HA 0.540 5.075 4.527 0.014 0.000 0.286 224 F C 1.390 177.149 175.800 -0.069 0.000 1.108 224 F CA 0.080 58.053 58.000 -0.045 0.000 1.436 224 F CB 0.149 39.139 39.000 -0.018 0.000 1.130 224 F HN 0.558 nan 8.300 nan 0.000 0.584 225 G N 0.658 109.516 108.800 0.097 0.000 2.687 225 G HA2 0.560 4.529 3.960 0.015 0.000 0.301 225 G HA3 0.560 4.529 3.960 0.015 0.000 0.301 225 G C -2.292 172.591 174.900 -0.029 0.000 1.416 225 G CA -0.420 44.685 45.100 0.009 0.000 1.005 225 G HN -0.048 nan 8.290 nan 0.000 0.509 226 L N 1.821 122.895 121.223 -0.247 0.000 2.409 226 L HA 0.842 5.190 4.340 0.015 0.000 0.272 226 L C -1.753 174.917 176.870 -0.333 0.000 0.980 226 L CA -1.177 53.565 54.840 -0.164 0.000 0.826 226 L CB 1.415 43.308 42.059 -0.278 0.000 1.268 226 L HN 0.409 nan 8.230 nan 0.000 0.407 227 F N 5.979 125.919 119.950 -0.017 0.000 2.477 227 F HA 0.555 5.090 4.527 0.015 0.000 0.335 227 F C 0.083 175.906 175.800 0.038 0.000 1.130 227 F CA -0.445 57.558 58.000 0.004 0.000 0.948 227 F CB 1.608 40.602 39.000 -0.009 0.000 1.154 227 F HN 0.241 nan 8.300 nan 0.000 0.439 228 L N 3.787 125.121 121.223 0.186 0.000 3.059 228 L HA 0.291 4.640 4.340 0.015 0.000 0.298 228 L C -0.481 176.481 176.870 0.153 0.000 1.304 228 L CA -0.384 54.563 54.840 0.178 0.000 0.855 228 L CB -0.146 42.028 42.059 0.192 0.000 1.266 228 L HN 0.512 nan 8.230 nan 0.000 0.572 229 N N 1.638 120.430 118.700 0.153 0.000 2.518 229 N HA 0.128 4.877 4.740 0.015 0.000 0.266 229 N C 0.423 175.984 175.510 0.085 0.000 1.196 229 N CA 0.080 53.201 53.050 0.118 0.000 0.947 229 N CB 0.522 39.075 38.487 0.110 0.000 1.098 229 N HN 0.247 nan 8.380 nan 0.000 0.450 230 N N -1.325 117.419 118.700 0.074 0.000 2.747 230 N HA -0.161 4.588 4.740 0.015 0.000 0.249 230 N C -1.157 174.391 175.510 0.063 0.000 1.107 230 N CA 0.432 53.514 53.050 0.054 0.000 0.707 230 N CB -1.467 37.033 38.487 0.022 0.000 1.054 230 N HN 0.208 nan 8.380 nan 0.000 0.555 231 V N 0.999 120.967 119.914 0.090 0.000 2.384 231 V HA 0.174 4.303 4.120 0.015 0.000 0.287 231 V C 0.785 176.941 176.094 0.104 0.000 1.020 231 V CA -0.675 61.684 62.300 0.097 0.000 0.850 231 V CB 1.992 33.898 31.823 0.139 0.000 0.987 231 V HN 0.195 nan 8.190 nan 0.000 0.436 232 Q N 4.434 124.282 119.800 0.081 0.000 2.325 232 Q HA 0.280 4.628 4.340 0.015 0.000 0.256 232 Q C -0.371 175.687 176.000 0.096 0.000 1.142 232 Q CA 0.195 56.046 55.803 0.080 0.000 0.902 232 Q CB 0.483 29.256 28.738 0.058 0.000 1.350 232 Q HN 0.796 nan 8.270 nan 0.000 0.449 233 L N 3.362 124.655 121.223 0.117 0.000 2.783 233 L HA 0.507 4.856 4.340 0.015 0.000 0.174 233 L C 0.925 177.857 176.870 0.103 0.000 1.235 233 L CA 0.398 55.321 54.840 0.139 0.000 0.862 233 L CB -0.126 42.045 42.059 0.186 0.000 1.249 233 L HN 0.904 nan 8.230 nan 0.000 0.518 234 G N -0.099 108.758 108.800 0.095 0.000 2.707 234 G HA2 -0.148 3.821 3.960 0.015 0.000 0.686 234 G HA3 -0.148 3.821 3.960 0.015 0.000 0.686 234 G C -2.393 172.534 174.900 0.046 0.000 1.315 234 G CA -0.330 44.813 45.100 0.071 0.000 0.832 234 G HN 0.091 nan 8.290 nan 0.000 0.573 235 P HA -0.094 nan 4.420 nan 0.000 0.215 235 P C 1.912 179.190 177.300 -0.036 0.000 1.153 235 P CA 2.155 65.240 63.100 -0.026 0.000 0.853 235 P CB -0.103 31.589 31.700 -0.013 0.000 0.788 236 S N -0.121 115.579 115.700 0.000 0.000 2.355 236 S HA -0.103 4.376 4.470 0.015 0.000 0.222 236 S C 1.900 176.516 174.600 0.028 0.000 1.031 236 S CA 0.873 59.077 58.200 0.007 0.000 0.993 236 S CB -1.137 62.074 63.200 0.019 0.000 0.859 236 S HN 0.053 nan 8.310 nan 0.000 0.453 237 L N 1.878 123.140 121.223 0.065 0.000 2.093 237 L HA -0.018 4.331 4.340 0.015 0.000 0.208 237 L C 2.248 179.189 176.870 0.118 0.000 1.085 237 L CA 1.706 56.628 54.840 0.137 0.000 0.755 237 L CB -1.410 40.762 42.059 0.188 0.000 0.904 237 L HN 0.225 nan 8.230 nan 0.000 0.435 238 T N -0.832 113.750 114.554 0.045 0.000 2.759 238 T HA -0.248 4.111 4.350 0.015 0.000 0.269 238 T C 1.732 176.364 174.700 -0.112 0.000 1.042 238 T CA 1.654 63.733 62.100 -0.035 0.000 1.140 238 T CB -0.134 68.687 68.868 -0.077 0.000 0.864 238 T HN 0.482 nan 8.240 nan 0.000 0.455 239 E N 0.936 121.066 120.200 -0.117 0.000 2.077 239 E HA -0.149 4.209 4.350 0.015 0.000 0.193 239 E C 2.112 178.686 176.600 -0.044 0.000 0.989 239 E CA 0.987 57.319 56.400 -0.113 0.000 0.800 239 E CB 0.038 29.679 29.700 -0.098 0.000 0.746 239 E HN 0.403 nan 8.360 nan 0.000 0.452 240 K N 0.261 120.662 120.400 0.002 0.000 2.097 240 K HA -0.165 4.163 4.320 0.015 0.000 0.206 240 K C 2.296 178.902 176.600 0.010 0.000 1.049 240 K CA 1.075 57.390 56.287 0.047 0.000 0.933 240 K CB -0.237 32.336 32.500 0.121 0.000 0.717 240 K HN 0.162 nan 8.250 nan 0.000 0.442 241 L N 1.275 122.429 121.223 -0.114 0.000 2.017 241 L HA -0.200 4.149 4.340 0.015 0.000 0.208 241 L C 2.117 178.891 176.870 -0.160 0.000 1.073 241 L CA 1.805 56.406 54.840 -0.398 0.000 0.745 241 L CB -0.704 40.987 42.059 -0.614 0.000 0.894 241 L HN 0.149 nan 8.230 nan 0.000 0.432 242 C N -0.733 118.522 119.300 -0.076 0.000 2.425 242 C HA -0.097 4.372 4.460 0.015 0.000 0.277 242 C C 2.703 177.725 174.990 0.054 0.000 1.280 242 C CA 0.711 59.737 59.018 0.013 0.000 1.744 242 C CB -1.257 26.534 27.740 0.084 0.000 1.989 242 C HN 0.689 nan 8.230 nan 0.000 0.491 243 L N 1.360 122.610 121.223 0.046 0.000 2.042 243 L HA -0.126 4.223 4.340 0.015 0.000 0.210 243 L C 2.453 179.372 176.870 0.081 0.000 1.076 243 L CA 1.954 56.832 54.840 0.062 0.000 0.749 243 L CB -0.705 41.374 42.059 0.035 0.000 0.893 243 L HN 0.251 nan 8.230 nan 0.000 0.432 244 E N -0.496 119.766 120.200 0.103 0.000 2.265 244 E HA -0.152 4.207 4.350 0.015 0.000 0.196 244 E C 2.220 178.928 176.600 0.180 0.000 0.996 244 E CA 1.031 57.551 56.400 0.199 0.000 0.832 244 E CB -0.251 29.613 29.700 0.273 0.000 0.756 244 E HN 0.521 nan 8.360 nan 0.000 0.491 245 L N 0.377 121.633 121.223 0.055 0.000 2.509 245 L HA 0.148 4.497 4.340 0.015 0.000 0.222 245 L C 0.990 177.865 176.870 0.008 0.000 1.123 245 L CA -0.209 54.581 54.840 -0.084 0.000 0.856 245 L CB -0.175 41.783 42.059 -0.168 0.000 0.985 245 L HN -0.122 nan 8.230 nan 0.000 0.456 246 A N 0.728 123.617 122.820 0.116 0.000 2.567 246 A HA -0.035 4.294 4.320 0.015 0.000 0.240 246 A C 0.748 178.442 177.584 0.184 0.000 1.053 246 A CA 0.606 52.755 52.037 0.187 0.000 0.755 246 A CB -0.508 18.523 19.000 0.051 0.000 0.978 246 A HN 0.692 nan 8.150 nan 0.000 0.507 247 N N -0.747 118.077 118.700 0.206 0.000 2.782 247 N HA -0.192 4.556 4.740 0.015 0.000 0.251 247 N C 0.213 175.826 175.510 0.172 0.000 1.101 247 N CA 1.184 54.346 53.050 0.187 0.000 0.764 247 N CB -1.557 36.995 38.487 0.108 0.000 1.122 247 N HN 1.098 nan 8.380 nan 0.000 0.561 248 T N -4.726 109.858 114.554 0.051 0.000 2.897 248 T HA 0.494 4.852 4.350 0.015 0.000 0.278 248 T C 0.990 175.665 174.700 -0.040 0.000 0.981 248 T CA -0.588 61.474 62.100 -0.065 0.000 0.973 248 T CB 1.642 70.382 68.868 -0.215 0.000 1.092 248 T HN -0.038 nan 8.240 nan 0.000 0.543 249 S N 0.062 115.695 115.700 -0.112 0.000 2.701 249 S HA 0.164 4.643 4.470 0.015 0.000 0.220 249 S C 0.653 175.251 174.600 -0.003 0.000 0.954 249 S CA -0.514 57.646 58.200 -0.066 0.000 0.936 249 S CB -0.987 62.060 63.200 -0.255 0.000 0.777 249 S HN 0.635 nan 8.310 nan 0.000 0.518 250 I N 2.764 123.297 120.570 -0.062 0.000 2.752 250 I HA -0.032 4.147 4.170 0.015 0.000 0.289 250 I C 1.138 177.271 176.117 0.026 0.000 1.197 250 I CA 0.458 61.726 61.300 -0.053 0.000 1.432 250 I CB 0.499 38.410 38.000 -0.148 0.000 1.359 250 I HN -0.004 nan 8.210 nan 0.000 0.571 251 R N 4.074 124.612 120.500 0.063 0.000 2.225 251 R HA 0.301 4.650 4.340 0.015 0.000 0.194 251 R C -0.221 176.078 176.300 -0.003 0.000 0.949 251 R CA 0.119 56.248 56.100 0.049 0.000 1.088 251 R CB -0.484 29.868 30.300 0.087 0.000 1.106 251 R HN 0.512 nan 8.270 nan 0.000 0.566 252 N N 0.771 119.446 118.700 -0.043 0.000 2.354 252 N HA 0.348 5.097 4.740 0.015 0.000 0.287 252 N C -1.684 173.682 175.510 -0.239 0.000 1.016 252 N CA -0.477 52.504 53.050 -0.116 0.000 0.871 252 N CB 2.091 40.499 38.487 -0.131 0.000 1.299 252 N HN -0.087 nan 8.380 nan 0.000 0.482 253 L N 1.387 122.477 121.223 -0.222 0.000 2.406 253 L HA 0.666 5.015 4.340 0.015 0.000 0.272 253 L C -0.862 175.878 176.870 -0.216 0.000 0.980 253 L CA -0.342 54.352 54.840 -0.243 0.000 0.831 253 L CB 1.807 43.778 42.059 -0.146 0.000 1.253 253 L HN 0.459 nan 8.230 nan 0.000 0.406 254 S N 5.697 121.222 115.700 -0.291 0.000 2.552 254 S HA 0.684 5.163 4.470 0.015 0.000 0.314 254 S C -0.495 174.102 174.600 -0.004 0.000 1.099 254 S CA -0.516 57.594 58.200 -0.150 0.000 1.070 254 S CB 0.604 63.654 63.200 -0.251 0.000 0.998 254 S HN 0.673 nan 8.310 nan 0.000 0.474 255 L N 3.778 125.050 121.223 0.082 0.000 3.186 255 L HA 0.368 4.717 4.340 0.015 0.000 0.292 255 L C 0.526 177.491 176.870 0.158 0.000 1.303 255 L CA -0.361 54.561 54.840 0.136 0.000 0.940 255 L CB 0.836 43.006 42.059 0.186 0.000 1.358 255 L HN 0.565 nan 8.230 nan 0.000 0.581 256 S N 1.068 116.856 115.700 0.147 0.000 2.549 256 S HA 0.096 4.575 4.470 0.015 0.000 0.279 256 S C 1.009 175.703 174.600 0.156 0.000 1.321 256 S CA 0.052 58.356 58.200 0.174 0.000 1.054 256 S CB 0.176 63.473 63.200 0.161 0.000 0.899 256 S HN 0.668 nan 8.310 nan 0.000 0.497 257 N N 2.288 121.102 118.700 0.191 0.000 2.725 257 N HA -0.183 4.566 4.740 0.015 0.000 0.251 257 N C 0.285 175.868 175.510 0.122 0.000 1.031 257 N CA 1.000 54.141 53.050 0.152 0.000 0.720 257 N CB -1.348 37.195 38.487 0.093 0.000 0.930 257 N HN 0.597 nan 8.380 nan 0.000 0.543 258 S N -0.793 114.989 115.700 0.137 0.000 2.575 258 S HA 0.217 4.696 4.470 0.015 0.000 0.237 258 S C 0.466 175.138 174.600 0.120 0.000 0.975 258 S CA 0.299 58.576 58.200 0.129 0.000 0.960 258 S CB 0.268 63.557 63.200 0.148 0.000 0.822 258 S HN 0.404 nan 8.310 nan 0.000 0.472 259 Q N 0.073 119.942 119.800 0.115 0.000 2.463 259 Q HA -0.153 4.196 4.340 0.015 0.000 0.299 259 Q C -0.674 175.389 176.000 0.106 0.000 1.353 259 Q CA 0.328 56.193 55.803 0.103 0.000 0.828 259 Q CB -1.688 27.101 28.738 0.085 0.000 1.157 259 Q HN 0.639 nan 8.270 nan 0.000 0.436 260 L N -0.057 121.242 121.223 0.128 0.000 2.387 260 L HA 0.187 4.536 4.340 0.015 0.000 0.267 260 L C 0.855 177.799 176.870 0.123 0.000 1.197 260 L CA 0.762 55.682 54.840 0.134 0.000 1.070 260 L CB 0.547 42.721 42.059 0.191 0.000 1.349 260 L HN 0.161 nan 8.230 nan 0.000 0.422 261 S N 0.601 116.359 115.700 0.096 0.000 2.423 261 S HA -0.009 4.470 4.470 0.015 0.000 0.231 261 S C 0.779 175.430 174.600 0.086 0.000 1.014 261 S CA 1.176 59.427 58.200 0.085 0.000 0.965 261 S CB -0.283 62.960 63.200 0.071 0.000 0.785 261 S HN 0.829 nan 8.310 nan 0.000 0.495 262 T N -0.701 113.906 114.554 0.089 0.000 2.868 262 T HA 0.600 4.959 4.350 0.015 0.000 0.306 262 T C -0.824 173.930 174.700 0.090 0.000 1.224 262 T CA -0.835 61.318 62.100 0.088 0.000 1.012 262 T CB 2.115 71.026 68.868 0.072 0.000 1.221 262 T HN 0.077 nan 8.240 nan 0.000 0.499 263 T N -1.217 113.392 114.554 0.093 0.000 2.906 263 T HA 0.857 5.216 4.350 0.015 0.000 0.295 263 T C -0.190 174.522 174.700 0.020 0.000 1.061 263 T CA -0.435 61.701 62.100 0.061 0.000 1.000 263 T CB 1.641 70.599 68.868 0.151 0.000 1.103 263 T HN 1.439 nan 8.240 nan 0.000 0.486 264 S N 0.601 116.294 115.700 -0.013 0.000 2.704 264 S HA 0.428 4.906 4.470 0.015 0.000 0.296 264 S C 0.701 175.318 174.600 0.029 0.000 1.138 264 S CA -0.607 57.596 58.200 0.004 0.000 0.875 264 S CB 1.215 64.422 63.200 0.011 0.000 1.151 264 S HN 0.860 nan 8.310 nan 0.000 0.500 265 N N 0.181 118.922 118.700 0.069 0.000 2.609 265 N HA -0.074 4.675 4.740 0.015 0.000 0.190 265 N C 1.122 176.873 175.510 0.401 0.000 1.157 265 N CA 1.452 54.630 53.050 0.214 0.000 0.918 265 N CB -0.863 37.716 38.487 0.153 0.000 0.978 265 N HN 0.819 nan 8.380 nan 0.000 0.448 266 T N -5.754 108.900 114.554 0.168 0.000 2.990 266 T HA 0.109 4.468 4.350 0.015 0.000 0.249 266 T C 1.579 176.260 174.700 -0.030 0.000 1.039 266 T CA 0.361 62.490 62.100 0.049 0.000 1.036 266 T CB -0.653 68.207 68.868 -0.012 0.000 0.994 266 T HN -0.006 nan 8.240 nan 0.000 0.489 267 T N 1.840 116.348 114.554 -0.075 0.000 2.699 267 T HA -0.020 4.339 4.350 0.015 0.000 0.268 267 T C 0.644 175.075 174.700 -0.449 0.000 1.036 267 T CA 1.438 63.336 62.100 -0.336 0.000 1.147 267 T CB -0.460 68.075 68.868 -0.555 0.000 0.862 267 T HN 0.479 nan 8.240 nan 0.000 0.446 268 F N 0.086 120.138 119.950 0.170 0.000 2.639 268 F HA 0.406 4.941 4.527 0.014 0.000 0.302 268 F C 1.320 177.171 175.800 0.085 0.000 1.097 268 F CA -0.792 57.325 58.000 0.194 0.000 1.294 268 F CB -0.275 38.904 39.000 0.298 0.000 1.027 268 F HN -0.024 nan 8.300 nan 0.000 0.550 269 L N 1.097 122.221 121.223 -0.165 0.000 2.051 269 L HA -0.154 4.194 4.340 0.015 0.000 0.214 269 L C 2.452 179.154 176.870 -0.281 0.000 1.076 269 L CA 2.219 56.605 54.840 -0.757 0.000 0.758 269 L CB -1.273 40.352 42.059 -0.723 0.000 0.890 269 L HN 0.259 nan 8.230 nan 0.000 0.433 270 G N -0.980 107.829 108.800 0.014 0.000 2.479 270 G HA2 -0.226 3.743 3.960 0.015 0.000 0.220 270 G HA3 -0.226 3.743 3.960 0.015 0.000 0.220 270 G C 1.517 176.581 174.900 0.274 0.000 1.115 270 G CA 0.872 46.122 45.100 0.251 0.000 0.757 270 G HN 0.470 nan 8.290 nan 0.000 0.560 271 L N 0.240 121.571 121.223 0.180 0.000 2.552 271 L HA 0.061 4.410 4.340 0.015 0.000 0.227 271 L C 2.628 179.569 176.870 0.118 0.000 1.146 271 L CA 0.869 55.810 54.840 0.168 0.000 0.858 271 L CB -0.154 42.014 42.059 0.180 0.000 0.969 271 L HN 0.256 nan 8.230 nan 0.000 0.451 272 K N 0.908 121.322 120.400 0.024 0.000 2.113 272 K HA -0.212 4.117 4.320 0.015 0.000 0.208 272 K C 1.239 177.716 176.600 -0.204 0.000 1.047 272 K CA 1.521 57.707 56.287 -0.168 0.000 0.928 272 K CB -0.250 31.943 32.500 -0.511 0.000 0.716 272 K HN 0.281 nan 8.250 nan 0.000 0.446 273 W N 2.995 124.313 121.300 0.030 0.000 3.285 273 W HA 0.204 4.873 4.660 0.015 0.000 0.426 273 W C -0.145 176.391 176.519 0.029 0.000 0.957 273 W CA 0.277 57.640 57.345 0.030 0.000 1.932 273 W CB -0.927 28.547 29.460 0.025 0.000 0.961 273 W HN 0.219 nan 8.180 nan 0.000 0.832 274 T N -2.631 112.023 114.554 0.167 0.000 2.865 274 T HA 0.311 4.669 4.350 0.015 0.000 0.294 274 T C 0.037 174.770 174.700 0.055 0.000 1.119 274 T CA -0.718 61.444 62.100 0.104 0.000 1.007 274 T CB 1.996 70.903 68.868 0.066 0.000 1.225 274 T HN -0.109 nan 8.240 nan 0.000 0.515 275 N N 1.049 119.774 118.700 0.043 0.000 2.538 275 N HA 0.224 4.973 4.740 0.015 0.000 0.291 275 N C -0.444 175.063 175.510 -0.006 0.000 1.323 275 N CA -0.356 52.705 53.050 0.018 0.000 0.934 275 N CB 0.213 38.722 38.487 0.038 0.000 1.255 275 N HN 0.545 nan 8.380 nan 0.000 0.509 276 L N 1.505 122.712 121.223 -0.027 0.000 2.540 276 L HA -0.012 4.337 4.340 0.015 0.000 0.276 276 L C 1.503 178.323 176.870 -0.083 0.000 1.212 276 L CA 1.012 55.820 54.840 -0.054 0.000 0.893 276 L CB 0.621 42.629 42.059 -0.084 0.000 1.138 276 L HN 0.253 nan 8.230 nan 0.000 0.491 277 T N 1.669 116.193 114.554 -0.050 0.000 2.959 277 T HA 0.276 4.635 4.350 0.015 0.000 0.254 277 T C 0.404 175.105 174.700 0.001 0.000 1.003 277 T CA -0.331 61.733 62.100 -0.060 0.000 0.950 277 T CB 0.240 69.104 68.868 -0.006 0.000 1.090 277 T HN 0.409 nan 8.240 nan 0.000 0.503 278 M N 1.949 121.581 119.600 0.052 0.000 2.263 278 M HA 0.688 5.177 4.480 0.015 0.000 0.295 278 M C -2.367 173.956 176.300 0.039 0.000 1.028 278 M CA -1.458 53.932 55.300 0.151 0.000 0.921 278 M CB 2.105 34.847 32.600 0.237 0.000 1.601 278 M HN 0.250 nan 8.290 nan 0.000 0.440 279 L N 5.263 126.525 121.223 0.065 0.000 2.385 279 L HA 0.624 4.973 4.340 0.015 0.000 0.273 279 L C -1.520 175.523 176.870 0.289 0.000 0.990 279 L CA 0.005 54.854 54.840 0.016 0.000 0.821 279 L CB 1.724 43.606 42.059 -0.295 0.000 1.279 279 L HN 0.684 nan 8.230 nan 0.000 0.412 280 D N 4.900 125.425 120.400 0.208 0.000 2.440 280 D HA 0.349 4.998 4.640 0.015 0.000 0.239 280 D C -0.414 176.015 176.300 0.216 0.000 1.084 280 D CA -0.126 54.035 54.000 0.268 0.000 0.843 280 D CB 1.005 41.866 40.800 0.101 0.000 1.097 280 D HN 0.638 nan 8.370 nan 0.000 0.531 281 L N 2.777 124.144 121.223 0.241 0.000 3.110 281 L HA 0.179 4.528 4.340 0.015 0.000 0.266 281 L C 0.830 177.794 176.870 0.157 0.000 1.257 281 L CA -0.480 54.487 54.840 0.212 0.000 1.038 281 L CB 0.080 42.288 42.059 0.250 0.000 1.395 281 L HN 0.270 nan 8.230 nan 0.000 0.566 282 S N -1.615 114.191 115.700 0.176 0.000 2.584 282 S HA 0.136 4.614 4.470 0.015 0.000 0.270 282 S C 0.343 175.080 174.600 0.228 0.000 1.346 282 S CA -0.147 58.142 58.200 0.148 0.000 1.018 282 S CB 0.228 63.570 63.200 0.236 0.000 0.899 282 S HN 0.373 nan 8.310 nan 0.000 0.542 283 Y N -0.608 119.771 120.300 0.132 0.000 3.929 283 Y HA -0.171 4.388 4.550 0.015 0.000 0.225 283 Y C 0.879 176.832 175.900 0.088 0.000 1.200 283 Y CA 0.553 58.714 58.100 0.101 0.000 1.791 283 Y CB -2.537 35.949 38.460 0.043 0.000 1.561 283 Y HN 0.766 nan 8.280 nan 0.000 0.657 284 N N 0.496 119.298 118.700 0.171 0.000 2.230 284 N HA 0.070 4.818 4.740 0.015 0.000 0.202 284 N C 0.172 175.752 175.510 0.116 0.000 1.119 284 N CA 0.643 53.782 53.050 0.149 0.000 0.851 284 N CB -0.041 38.538 38.487 0.154 0.000 0.990 284 N HN 0.603 nan 8.380 nan 0.000 0.497 285 N N 0.505 119.266 118.700 0.101 0.000 2.696 285 N HA -0.219 4.529 4.740 0.015 0.000 0.249 285 N C -0.564 174.984 175.510 0.064 0.000 1.090 285 N CA 0.088 53.185 53.050 0.078 0.000 0.716 285 N CB -0.915 37.623 38.487 0.085 0.000 1.020 285 N HN 0.188 nan 8.380 nan 0.000 0.548 286 L N 0.535 121.791 121.223 0.055 0.000 2.477 286 L HA 0.166 4.515 4.340 0.015 0.000 0.272 286 L C 0.999 177.886 176.870 0.030 0.000 1.157 286 L CA 0.540 55.416 54.840 0.059 0.000 0.889 286 L CB 0.818 42.920 42.059 0.072 0.000 1.158 286 L HN 0.154 nan 8.230 nan 0.000 0.473 287 N N 3.524 122.252 118.700 0.047 0.000 2.571 287 N HA 0.090 4.839 4.740 0.015 0.000 0.195 287 N C -0.634 174.897 175.510 0.035 0.000 1.040 287 N CA 0.528 53.604 53.050 0.042 0.000 0.890 287 N CB 0.585 39.108 38.487 0.060 0.000 1.233 287 N HN 0.353 nan 8.380 nan 0.000 0.435 288 V N 1.799 121.746 119.914 0.055 0.000 2.409 288 V HA 0.445 4.574 4.120 0.015 0.000 0.291 288 V C -0.635 175.499 176.094 0.066 0.000 1.020 288 V CA -0.912 61.425 62.300 0.061 0.000 0.848 288 V CB 1.703 33.610 31.823 0.141 0.000 0.990 288 V HN -0.119 nan 8.190 nan 0.000 0.430 289 V N 4.621 124.537 119.914 0.004 0.000 2.304 289 V HA 0.506 4.635 4.120 0.015 0.000 0.269 289 V C 1.068 177.238 176.094 0.127 0.000 1.036 289 V CA -0.329 62.007 62.300 0.060 0.000 0.840 289 V CB 1.119 32.997 31.823 0.090 0.000 1.036 289 V HN 0.957 nan 8.190 nan 0.000 0.466 290 G N 3.632 112.508 108.800 0.127 0.000 2.554 290 G HA2 0.086 4.055 3.960 0.015 0.000 0.238 290 G HA3 0.086 4.055 3.960 0.015 0.000 0.238 290 G C 0.170 175.138 174.900 0.114 0.000 1.259 290 G CA -0.416 44.786 45.100 0.171 0.000 0.843 290 G HN 0.648 nan 8.290 nan 0.000 0.582 291 N N 1.085 119.859 118.700 0.123 0.000 2.292 291 N HA 0.015 4.764 4.740 0.015 0.000 0.258 291 N C 0.343 175.811 175.510 -0.070 0.000 1.261 291 N CA 0.533 53.608 53.050 0.041 0.000 0.845 291 N CB 0.422 38.878 38.487 -0.052 0.000 1.064 291 N HN 0.531 nan 8.380 nan 0.000 0.471 292 D N -0.241 120.084 120.400 -0.125 0.000 3.076 292 D HA -0.164 4.485 4.640 0.015 0.000 0.218 292 D C 0.680 176.773 176.300 -0.345 0.000 1.156 292 D CA 0.985 54.830 54.000 -0.259 0.000 0.921 292 D CB -1.304 39.334 40.800 -0.270 0.000 1.113 292 D HN 0.430 nan 8.370 nan 0.000 0.418 293 S N -1.283 114.190 115.700 -0.379 0.000 2.402 293 S HA -0.146 4.332 4.470 0.015 0.000 0.233 293 S C 1.178 175.385 174.600 -0.655 0.000 1.030 293 S CA 0.994 58.859 58.200 -0.559 0.000 1.003 293 S CB -0.113 62.486 63.200 -1.003 0.000 0.813 293 S HN 0.408 nan 8.310 nan 0.000 0.477 294 F N -0.070 119.807 119.950 -0.121 0.000 2.735 294 F HA 0.552 5.088 4.527 0.015 0.000 0.304 294 F C 1.545 177.056 175.800 -0.481 0.000 1.119 294 F CA -0.753 57.096 58.000 -0.251 0.000 1.280 294 F CB -0.675 38.182 39.000 -0.238 0.000 0.994 294 F HN 0.047 nan 8.300 nan 0.000 0.520 295 A N -0.125 122.261 122.820 -0.724 0.000 2.024 295 A HA -0.181 4.148 4.320 0.015 0.000 0.220 295 A C 1.277 178.405 177.584 -0.760 0.000 1.164 295 A CA 1.316 52.815 52.037 -0.895 0.000 0.643 295 A CB -1.053 17.155 19.000 -1.319 0.000 0.806 295 A HN 0.679 nan 8.150 nan 0.000 0.451 296 W N -0.935 120.328 121.300 -0.060 0.000 3.388 296 W HA 0.465 5.134 4.660 0.014 0.000 0.324 296 W C 0.001 176.443 176.519 -0.128 0.000 1.250 296 W CA -0.456 56.832 57.345 -0.095 0.000 1.809 296 W CB -0.118 29.310 29.460 -0.053 0.000 1.083 296 W HN 0.009 nan 8.180 nan 0.000 0.685 297 L N 2.996 124.156 121.223 -0.105 0.000 2.892 297 L HA 0.246 4.595 4.340 0.015 0.000 0.251 297 L C -1.303 175.356 176.870 -0.352 0.000 1.339 297 L CA -1.317 53.409 54.840 -0.190 0.000 0.900 297 L CB 0.552 42.457 42.059 -0.255 0.000 1.246 297 L HN -0.240 nan 8.230 nan 0.000 0.524 298 P HA -0.138 nan 4.420 nan 0.000 0.226 298 P C 0.812 177.824 177.300 -0.480 0.000 1.153 298 P CA 1.014 63.704 63.100 -0.684 0.000 0.777 298 P CB 0.443 31.933 31.700 -0.349 0.000 0.794 299 Q N -0.836 118.805 119.800 -0.265 0.000 2.319 299 Q HA 0.136 4.485 4.340 0.015 0.000 0.202 299 Q C 0.741 176.608 176.000 -0.222 0.000 0.896 299 Q CA -0.473 55.221 55.803 -0.181 0.000 0.942 299 Q CB -0.340 28.341 28.738 -0.094 0.000 1.083 299 Q HN 0.260 nan 8.270 nan 0.000 0.510 300 L N 1.961 123.009 121.223 -0.292 0.000 2.559 300 L HA -0.074 4.275 4.340 0.015 0.000 0.274 300 L C 0.973 177.644 176.870 -0.332 0.000 1.205 300 L CA 1.011 55.660 54.840 -0.319 0.000 0.907 300 L CB 0.487 42.283 42.059 -0.437 0.000 1.153 300 L HN 0.072 nan 8.230 nan 0.000 0.490 301 E N 3.179 123.138 120.200 -0.403 0.000 2.399 301 E HA 0.092 4.451 4.350 0.015 0.000 0.205 301 E C -0.998 175.176 176.600 -0.711 0.000 0.906 301 E CA 0.245 56.251 56.400 -0.657 0.000 0.998 301 E CB 0.498 29.541 29.700 -1.096 0.000 1.002 301 E HN 0.509 nan 8.360 nan 0.000 0.501 302 Y N -0.002 120.283 120.300 -0.025 0.000 2.326 302 Y HA 0.406 4.965 4.550 0.014 0.000 0.329 302 Y C -0.949 174.958 175.900 0.012 0.000 0.973 302 Y CA -1.198 56.903 58.100 0.001 0.000 1.162 302 Y CB 1.032 39.494 38.460 0.004 0.000 1.147 302 Y HN -0.103 nan 8.280 nan 0.000 0.456 303 F N 5.012 124.856 119.950 -0.176 0.000 2.499 303 F HA 0.579 5.115 4.527 0.014 0.000 0.333 303 F C -1.839 173.771 175.800 -0.318 0.000 1.138 303 F CA -2.665 55.203 58.000 -0.220 0.000 0.945 303 F CB 0.552 39.390 39.000 -0.270 0.000 1.181 303 F HN 0.291 nan 8.300 nan 0.000 0.435 304 F N 7.204 127.287 119.950 0.222 0.000 2.361 304 F HA 0.411 4.947 4.527 0.014 0.000 0.364 304 F C 0.514 176.206 175.800 -0.180 0.000 1.117 304 F CA -0.328 57.694 58.000 0.036 0.000 1.071 304 F CB 1.264 40.350 39.000 0.144 0.000 1.188 304 F HN 0.366 nan 8.300 nan 0.000 0.464 305 L N 2.713 123.793 121.223 -0.237 0.000 2.959 305 L HA 0.140 4.488 4.340 0.015 0.000 0.259 305 L C 0.800 177.541 176.870 -0.214 0.000 1.185 305 L CA -0.150 54.492 54.840 -0.331 0.000 0.998 305 L CB -0.047 41.638 42.059 -0.622 0.000 1.337 305 L HN 0.530 nan 8.230 nan 0.000 0.555 306 E N 0.338 120.481 120.200 -0.095 0.000 2.415 306 E HA -0.157 4.201 4.350 0.015 0.000 0.262 306 E C -0.775 175.710 176.600 -0.192 0.000 1.038 306 E CA -0.115 56.198 56.400 -0.144 0.000 0.921 306 E CB 0.297 30.014 29.700 0.027 0.000 0.950 306 E HN 0.188 nan 8.360 nan 0.000 0.438 307 Y N 0.358 120.434 120.300 -0.374 0.000 3.004 307 Y HA -0.224 4.334 4.550 0.015 0.000 0.160 307 Y C -0.004 175.697 175.900 -0.330 0.000 1.739 307 Y CA 0.861 58.678 58.100 -0.472 0.000 0.959 307 Y CB -1.601 36.191 38.460 -1.113 0.000 1.460 307 Y HN 0.588 nan 8.280 nan 0.000 0.385 308 N N 0.165 118.774 118.700 -0.151 0.000 3.439 308 N HA 0.438 5.186 4.740 0.015 0.000 0.343 308 N C -0.382 175.079 175.510 -0.082 0.000 1.597 308 N CA -0.808 52.184 53.050 -0.098 0.000 0.733 308 N CB 1.155 39.561 38.487 -0.135 0.000 1.973 308 N HN 0.234 nan 8.380 nan 0.000 0.646 309 N N 0.278 118.943 118.700 -0.060 0.000 2.598 309 N HA 0.350 5.099 4.740 0.015 0.000 0.295 309 N C -1.463 174.045 175.510 -0.003 0.000 1.729 309 N CA -0.097 52.947 53.050 -0.011 0.000 0.877 309 N CB -0.079 38.425 38.487 0.027 0.000 1.405 309 N HN 0.420 nan 8.380 nan 0.000 0.491 310 I N 1.333 121.867 120.570 -0.061 0.000 2.517 310 I HA 0.035 4.214 4.170 0.015 0.000 0.285 310 I C 1.480 177.681 176.117 0.141 0.000 1.106 310 I CA -0.016 61.275 61.300 -0.016 0.000 1.402 310 I CB 1.436 39.333 38.000 -0.172 0.000 1.399 310 I HN 0.311 nan 8.210 nan 0.000 0.535 311 Q N 5.092 124.954 119.800 0.103 0.000 2.163 311 Q HA 0.028 4.377 4.340 0.015 0.000 0.198 311 Q C 0.133 176.222 176.000 0.149 0.000 0.954 311 Q CA 1.345 57.221 55.803 0.121 0.000 0.851 311 Q CB 0.333 29.136 28.738 0.109 0.000 0.928 311 Q HN 0.678 nan 8.270 nan 0.000 0.459 312 H N -0.840 118.201 119.070 -0.047 0.000 3.149 312 H HA 0.318 4.880 4.556 0.010 0.000 0.334 312 H C -1.898 173.191 175.328 -0.399 0.000 1.000 312 H CA -1.022 54.949 56.048 -0.129 0.000 1.415 312 H CB 0.819 30.566 29.762 -0.026 0.000 1.819 312 H HN 0.127 nan 8.280 nan 0.000 0.486 313 L N 5.830 127.081 121.223 0.046 0.000 2.281 313 L HA 0.305 4.653 4.340 0.015 0.000 0.285 313 L C -1.207 175.584 176.870 -0.133 0.000 1.074 313 L CA 0.068 54.833 54.840 -0.125 0.000 0.817 313 L CB -0.266 41.855 42.059 0.103 0.000 1.168 313 L HN 0.397 nan 8.230 nan 0.000 0.434 314 F N 1.946 121.901 119.950 0.008 0.000 2.380 314 F HA 0.251 4.784 4.527 0.010 0.000 0.325 314 F C 1.797 177.664 175.800 0.111 0.000 1.136 314 F CA -0.154 57.826 58.000 -0.033 0.000 1.171 314 F CB 0.486 39.435 39.000 -0.085 0.000 1.230 314 F HN 0.641 nan 8.300 nan 0.000 0.554 315 S N -0.552 115.382 115.700 0.389 0.000 2.442 315 S HA -0.210 4.269 4.470 0.015 0.000 0.236 315 S C 0.959 175.944 174.600 0.642 0.000 1.007 315 S CA 1.411 59.855 58.200 0.406 0.000 0.965 315 S CB -0.756 62.678 63.200 0.391 0.000 0.773 315 S HN 0.726 nan 8.310 nan 0.000 0.504 316 H N 0.238 119.541 119.070 0.387 0.000 2.592 316 H HA 0.508 5.073 4.556 0.015 0.000 0.279 316 H C 1.716 177.095 175.328 0.084 0.000 1.089 316 H CA 0.021 56.163 56.048 0.156 0.000 1.150 316 H CB 0.239 29.938 29.762 -0.104 0.000 1.575 316 H HN 0.294 nan 8.280 nan 0.000 0.547 317 S N 0.139 116.015 115.700 0.293 0.000 2.382 317 S HA -0.056 4.423 4.470 0.015 0.000 0.228 317 S C 1.511 176.253 174.600 0.238 0.000 1.027 317 S CA 0.982 59.312 58.200 0.216 0.000 0.991 317 S CB 0.041 63.344 63.200 0.171 0.000 0.823 317 S HN 0.417 nan 8.310 nan 0.000 0.469 318 L N 0.622 122.018 121.223 0.289 0.000 2.700 318 L HA 0.279 4.628 4.340 0.015 0.000 0.234 318 L C 0.427 177.407 176.870 0.183 0.000 1.156 318 L CA -0.322 54.728 54.840 0.350 0.000 0.946 318 L CB -0.387 41.883 42.059 0.350 0.000 1.216 318 L HN 0.258 nan 8.230 nan 0.000 0.493 319 H N 0.619 119.507 119.070 -0.304 0.000 3.001 319 H HA 0.219 4.784 4.556 0.015 0.000 0.334 319 H C 1.310 176.348 175.328 -0.484 0.000 1.034 319 H CA 1.370 56.854 56.048 -0.940 0.000 1.420 319 H CB 0.728 29.738 29.762 -1.253 0.000 1.405 319 H HN 0.293 nan 8.280 nan 0.000 0.593 320 G N 3.407 111.674 108.800 -0.887 0.000 2.217 320 G HA2 -0.269 3.699 3.960 0.015 0.000 0.246 320 G HA3 -0.269 3.699 3.960 0.015 0.000 0.246 320 G C 0.567 175.162 174.900 -0.507 0.000 0.990 320 G CA 0.259 45.035 45.100 -0.540 0.000 0.627 320 G HN 0.646 nan 8.290 nan 0.000 0.522 321 L N 2.306 123.366 121.223 -0.273 0.000 2.821 321 L HA 0.344 4.692 4.340 0.015 0.000 0.239 321 L C 1.733 178.496 176.870 -0.177 0.000 1.391 321 L CA -0.369 54.315 54.840 -0.261 0.000 1.231 321 L CB -0.718 41.300 42.059 -0.069 0.000 1.598 321 L HN 0.393 nan 8.230 nan 0.000 0.428 322 F N -2.713 117.207 119.950 -0.049 0.000 2.811 322 F HA 0.168 4.703 4.527 0.014 0.000 0.301 322 F C 1.491 177.275 175.800 -0.026 0.000 1.151 322 F CA -0.025 57.971 58.000 -0.007 0.000 1.412 322 F CB -0.535 38.459 39.000 -0.011 0.000 1.113 322 F HN 0.134 nan 8.300 nan 0.000 0.579 323 N N 0.350 118.994 118.700 -0.094 0.000 2.205 323 N HA 0.112 4.861 4.740 0.015 0.000 0.201 323 N C -0.156 175.283 175.510 -0.119 0.000 1.128 323 N CA 0.140 53.158 53.050 -0.053 0.000 0.867 323 N CB 0.889 39.309 38.487 -0.112 0.000 0.996 323 N HN 0.065 nan 8.380 nan 0.000 0.503 324 V N 1.930 121.773 119.914 -0.119 0.000 2.540 324 V HA 0.034 4.163 4.120 0.015 0.000 0.297 324 V C 1.493 177.546 176.094 -0.068 0.000 1.024 324 V CA 0.525 62.753 62.300 -0.121 0.000 1.105 324 V CB 1.017 32.808 31.823 -0.054 0.000 0.938 324 V HN 0.145 nan 8.190 nan 0.000 0.482 325 R N 3.150 123.586 120.500 -0.107 0.000 2.225 325 R HA 0.173 4.521 4.340 0.015 0.000 0.194 325 R C -0.287 176.075 176.300 0.104 0.000 0.957 325 R CA 0.238 56.331 56.100 -0.012 0.000 1.042 325 R CB 0.573 30.845 30.300 -0.046 0.000 1.004 325 R HN 0.699 nan 8.270 nan 0.000 0.509 326 Y N 0.691 120.962 120.300 -0.047 0.000 2.386 326 Y HA 0.460 5.020 4.550 0.015 0.000 0.334 326 Y C -1.818 174.027 175.900 -0.091 0.000 1.002 326 Y CA -1.516 56.563 58.100 -0.034 0.000 1.068 326 Y CB 1.553 39.999 38.460 -0.024 0.000 1.203 326 Y HN -0.172 nan 8.280 nan 0.000 0.443 327 L N 7.054 127.862 121.223 -0.690 0.000 2.439 327 L HA 0.533 4.882 4.340 0.015 0.000 0.270 327 L C -1.936 174.518 176.870 -0.693 0.000 0.972 327 L CA -0.482 54.044 54.840 -0.523 0.000 0.836 327 L CB 1.601 43.540 42.059 -0.199 0.000 1.255 327 L HN 0.776 nan 8.230 nan 0.000 0.404 328 N N 5.398 123.727 118.700 -0.619 0.000 2.469 328 N HA 0.386 5.134 4.740 0.015 0.000 0.253 328 N C -0.605 174.760 175.510 -0.242 0.000 0.970 328 N CA -0.263 52.568 53.050 -0.365 0.000 0.940 328 N CB 0.983 39.397 38.487 -0.123 0.000 1.128 328 N HN 0.792 nan 8.380 nan 0.000 0.503 329 L N 2.302 123.417 121.223 -0.181 0.000 3.066 329 L HA 0.280 4.628 4.340 0.015 0.000 0.265 329 L C 0.814 177.590 176.870 -0.156 0.000 1.232 329 L CA -0.305 54.431 54.840 -0.174 0.000 1.031 329 L CB 0.064 42.111 42.059 -0.019 0.000 1.379 329 L HN 0.382 nan 8.230 nan 0.000 0.563 330 K N 1.929 122.233 120.400 -0.161 0.000 2.447 330 K HA 0.030 4.359 4.320 0.015 0.000 0.281 330 K C 0.338 176.679 176.600 -0.432 0.000 1.031 330 K CA -0.058 56.097 56.287 -0.219 0.000 1.019 330 K CB 0.283 32.681 32.500 -0.171 0.000 0.918 330 K HN 0.179 nan 8.250 nan 0.000 0.476 331 R N 2.066 122.344 120.500 -0.369 0.000 3.722 331 R HA -0.204 4.145 4.340 0.015 0.000 0.284 331 R C 0.378 176.462 176.300 -0.360 0.000 1.165 331 R CA 0.759 56.618 56.100 -0.402 0.000 0.779 331 R CB -2.272 27.584 30.300 -0.740 0.000 1.179 331 R HN 0.659 nan 8.270 nan 0.000 0.491 332 S N -0.462 115.018 115.700 -0.367 0.000 2.461 332 S HA 0.050 4.529 4.470 0.015 0.000 0.228 332 S C 0.560 174.815 174.600 -0.575 0.000 1.005 332 S CA 0.793 58.677 58.200 -0.527 0.000 0.942 332 S CB 0.067 62.800 63.200 -0.777 0.000 0.776 332 S HN 0.266 nan 8.310 nan 0.000 0.514 333 F N 1.068 120.960 119.950 -0.097 0.000 2.440 333 F HA 0.364 4.899 4.527 0.013 0.000 0.328 333 F C 1.019 176.790 175.800 -0.049 0.000 1.070 333 F CA -0.914 57.048 58.000 -0.064 0.000 1.011 333 F CB 0.497 39.461 39.000 -0.060 0.000 1.226 333 F HN -0.252 nan 8.300 nan 0.000 0.491 334 T N 1.920 116.573 114.554 0.165 0.000 2.937 334 T HA 0.099 4.458 4.350 0.015 0.000 0.316 334 T C 0.178 174.925 174.700 0.079 0.000 1.079 334 T CA -0.182 61.973 62.100 0.092 0.000 1.131 334 T CB 0.170 69.087 68.868 0.082 0.000 1.000 334 T HN 0.474 nan 8.240 nan 0.000 0.549 335 K N 2.034 122.467 120.400 0.055 0.000 2.179 335 K HA 0.420 4.748 4.320 0.015 0.000 0.238 335 K C 0.026 176.649 176.600 0.038 0.000 1.033 335 K CA -0.573 55.740 56.287 0.043 0.000 0.926 335 K CB 0.674 33.198 32.500 0.040 0.000 1.151 335 K HN 0.916 nan 8.250 nan 0.000 0.492 344 P HA 0.246 nan 4.420 nan 0.000 0.272 344 P C -1.611 175.615 177.300 -0.122 0.000 1.223 344 P CA -0.377 62.705 63.100 -0.030 0.000 0.784 344 P CB 0.898 32.594 31.700 -0.007 0.000 0.923 345 K N 2.136 122.445 120.400 -0.151 0.000 2.376 345 K HA 0.530 4.859 4.320 0.015 0.000 0.257 345 K C -0.970 175.532 176.600 -0.162 0.000 0.939 345 K CA -0.673 55.471 56.287 -0.239 0.000 0.809 345 K CB 0.948 33.146 32.500 -0.505 0.000 1.121 345 K HN 0.410 nan 8.250 nan 0.000 0.425 346 I N 3.550 124.016 120.570 -0.175 0.000 2.382 346 I HA 0.158 4.337 4.170 0.015 0.000 0.286 346 I C -0.498 175.582 176.117 -0.061 0.000 1.002 346 I CA -1.019 60.200 61.300 -0.135 0.000 1.135 346 I CB 1.609 39.446 38.000 -0.272 0.000 1.288 346 I HN 0.544 nan 8.210 nan 0.000 0.448 347 D N 5.454 125.895 120.400 0.069 0.000 2.472 347 D HA 0.004 4.652 4.640 0.015 0.000 0.237 347 D C 0.047 176.336 176.300 -0.020 0.000 1.141 347 D CA 0.341 54.401 54.000 0.101 0.000 0.875 347 D CB 0.688 41.616 40.800 0.213 0.000 1.192 347 D HN 0.356 nan 8.370 nan 0.000 0.450 348 D N 0.592 120.970 120.400 -0.038 0.000 2.515 348 D HA -0.126 4.523 4.640 0.015 0.000 0.232 348 D C 0.787 177.061 176.300 -0.043 0.000 1.157 348 D CA 0.514 54.408 54.000 -0.176 0.000 0.871 348 D CB 0.170 40.849 40.800 -0.201 0.000 1.200 348 D HN 0.348 nan 8.370 nan 0.000 0.466 349 F N -0.287 119.581 119.950 -0.137 0.000 2.914 349 F HA -0.303 4.232 4.527 0.013 0.000 0.304 349 F C 2.002 177.626 175.800 -0.293 0.000 0.712 349 F CA 0.667 58.542 58.000 -0.207 0.000 1.211 349 F CB -2.154 36.708 39.000 -0.229 0.000 1.515 349 F HN 0.220 nan 8.300 nan 0.000 0.350 350 S N -0.997 114.609 115.700 -0.156 0.000 2.442 350 S HA -0.054 4.425 4.470 0.015 0.000 0.236 350 S C 1.257 175.651 174.600 -0.344 0.000 1.007 350 S CA 1.219 59.264 58.200 -0.258 0.000 0.965 350 S CB -0.260 62.672 63.200 -0.447 0.000 0.773 350 S HN 0.433 nan 8.310 nan 0.000 0.504 351 F N 1.329 121.291 119.950 0.020 0.000 2.678 351 F HA 0.194 4.731 4.527 0.016 0.000 0.305 351 F C 2.052 177.853 175.800 0.001 0.000 1.090 351 F CA -0.654 57.389 58.000 0.073 0.000 1.272 351 F CB -0.416 38.642 39.000 0.097 0.000 1.060 351 F HN 0.215 nan 8.300 nan 0.000 0.576 352 Q N -0.174 119.572 119.800 -0.089 0.000 2.234 352 Q HA -0.209 4.140 4.340 0.015 0.000 0.206 352 Q C 1.365 177.207 176.000 -0.264 0.000 0.980 352 Q CA 1.661 57.321 55.803 -0.239 0.000 0.869 352 Q CB -0.613 27.838 28.738 -0.478 0.000 0.912 352 Q HN 0.455 nan 8.270 nan 0.000 0.436 353 W N 0.714 122.083 121.300 0.116 0.000 2.678 353 W HA 0.140 4.807 4.660 0.012 0.000 0.256 353 W C 0.252 176.840 176.519 0.115 0.000 1.280 353 W CA 0.042 57.435 57.345 0.080 0.000 1.345 353 W CB 0.020 29.491 29.460 0.018 0.000 1.118 353 W HN 0.126 nan 8.180 nan 0.000 0.629 354 L N 2.118 123.526 121.223 0.308 0.000 2.480 354 L HA 0.065 4.414 4.340 0.015 0.000 0.243 354 L C 1.671 178.645 176.870 0.174 0.000 1.315 354 L CA 0.270 55.254 54.840 0.241 0.000 1.231 354 L CB -0.160 42.053 42.059 0.256 0.000 1.444 354 L HN -0.355 nan 8.230 nan 0.000 0.409 355 K N -0.303 120.204 120.400 0.179 0.000 2.209 355 K HA -0.046 4.283 4.320 0.015 0.000 0.204 355 K C 1.462 178.117 176.600 0.092 0.000 1.048 355 K CA 0.929 57.291 56.287 0.124 0.000 0.940 355 K CB -0.307 32.264 32.500 0.117 0.000 0.729 355 K HN 0.504 nan 8.250 nan 0.000 0.451 356 C N 0.667 120.024 119.300 0.096 0.000 2.791 356 C HA 0.240 4.709 4.460 0.015 0.000 0.270 356 C C 0.791 175.805 174.990 0.041 0.000 1.257 356 C CA -1.010 58.042 59.018 0.057 0.000 1.699 356 C CB -0.939 26.830 27.740 0.048 0.000 1.904 356 C HN 0.250 nan 8.230 nan 0.000 0.603 357 L N 2.318 123.574 121.223 0.054 0.000 2.562 357 L HA 0.055 4.404 4.340 0.015 0.000 0.271 357 L C 0.926 177.817 176.870 0.034 0.000 1.167 357 L CA 1.247 56.113 54.840 0.042 0.000 0.917 357 L CB 0.025 42.113 42.059 0.049 0.000 1.187 357 L HN 0.323 nan 8.230 nan 0.000 0.482 358 E N 2.734 122.968 120.200 0.057 0.000 2.413 358 E HA 0.070 4.429 4.350 0.015 0.000 0.203 358 E C -0.412 176.263 176.600 0.124 0.000 0.957 358 E CA 0.140 56.578 56.400 0.064 0.000 0.950 358 E CB 0.447 30.193 29.700 0.075 0.000 0.957 358 E HN 0.734 nan 8.360 nan 0.000 0.497 359 H N 0.347 119.435 119.070 0.030 0.000 3.013 359 H HA 0.367 4.932 4.556 0.014 0.000 0.326 359 H C -1.841 173.451 175.328 -0.060 0.000 0.973 359 H CA -0.909 55.180 56.048 0.067 0.000 1.369 359 H CB 0.933 30.736 29.762 0.069 0.000 1.598 359 H HN -0.071 nan 8.280 nan 0.000 0.518 360 L N 5.187 126.420 121.223 0.017 0.000 2.319 360 L HA 0.422 4.771 4.340 0.015 0.000 0.281 360 L C -1.183 175.663 176.870 -0.041 0.000 1.005 360 L CA -0.590 54.195 54.840 -0.092 0.000 0.828 360 L CB 1.257 43.200 42.059 -0.194 0.000 1.227 360 L HN 0.686 nan 8.230 nan 0.000 0.415 361 N N 5.727 124.407 118.700 -0.032 0.000 2.457 361 N HA 0.356 5.105 4.740 0.015 0.000 0.250 361 N C -0.422 175.067 175.510 -0.035 0.000 0.982 361 N CA -0.151 52.917 53.050 0.029 0.000 0.941 361 N CB 0.846 39.387 38.487 0.091 0.000 1.120 361 N HN 0.726 nan 8.380 nan 0.000 0.505 362 M N 1.892 121.471 119.600 -0.035 0.000 2.589 362 M HA 0.100 4.589 4.480 0.015 0.000 0.344 362 M C 0.423 176.685 176.300 -0.063 0.000 1.168 362 M CA -0.383 54.905 55.300 -0.021 0.000 0.956 362 M CB 0.196 32.796 32.600 0.000 0.000 1.370 362 M HN 0.491 nan 8.290 nan 0.000 0.518 363 E N 0.467 120.633 120.200 -0.056 0.000 2.409 363 E HA 0.002 4.361 4.350 0.015 0.000 0.257 363 E C -0.727 175.818 176.600 -0.093 0.000 1.150 363 E CA -0.242 56.116 56.400 -0.070 0.000 0.942 363 E CB 0.361 30.047 29.700 -0.024 0.000 0.979 363 E HN 0.172 nan 8.360 nan 0.000 0.447 364 D N 1.411 121.758 120.400 -0.087 0.000 3.082 364 D HA -0.140 4.509 4.640 0.015 0.000 0.234 364 D C -0.967 175.280 176.300 -0.088 0.000 1.159 364 D CA 0.792 54.743 54.000 -0.081 0.000 0.875 364 D CB -1.041 39.709 40.800 -0.085 0.000 0.946 364 D HN 0.472 nan 8.370 nan 0.000 0.411 365 N N 0.327 118.974 118.700 -0.087 0.000 2.853 365 N HA 0.255 5.004 4.740 0.015 0.000 0.258 365 N C -0.766 174.704 175.510 -0.067 0.000 1.444 365 N CA -0.522 52.499 53.050 -0.048 0.000 0.837 365 N CB 1.362 39.842 38.487 -0.013 0.000 1.489 365 N HN -0.130 nan 8.380 nan 0.000 0.529 366 D N 0.980 121.361 120.400 -0.031 0.000 2.892 366 D HA 0.362 5.011 4.640 0.015 0.000 0.291 366 D C 0.044 176.331 176.300 -0.021 0.000 1.341 366 D CA -0.096 53.897 54.000 -0.011 0.000 0.844 366 D CB 0.256 41.065 40.800 0.014 0.000 1.093 366 D HN 0.389 nan 8.370 nan 0.000 0.480 367 I N 1.493 122.017 120.570 -0.077 0.000 2.618 367 I HA 0.007 4.186 4.170 0.015 0.000 0.284 367 I C -0.986 175.223 176.117 0.152 0.000 1.146 367 I CA -1.322 59.952 61.300 -0.043 0.000 1.425 367 I CB 0.855 38.772 38.000 -0.138 0.000 1.383 367 I HN -0.150 nan 8.210 nan 0.000 0.562 368 P HA -0.107 nan 4.420 nan 0.000 0.214 368 P C 0.574 177.903 177.300 0.050 0.000 1.163 368 P CA 1.036 64.162 63.100 0.043 0.000 0.889 368 P CB 0.209 31.893 31.700 -0.026 0.000 0.790 369 G N -2.327 106.482 108.800 0.015 0.000 2.490 369 G HA2 0.507 4.476 3.960 0.015 0.000 0.308 369 G HA3 0.507 4.476 3.960 0.015 0.000 0.308 369 G C -1.811 172.940 174.900 -0.248 0.000 1.286 369 G CA -0.664 44.283 45.100 -0.255 0.000 0.825 369 G HN -0.040 nan 8.290 nan 0.000 0.479 370 I N 1.339 121.674 120.570 -0.393 0.000 2.328 370 I HA 0.313 4.491 4.170 0.015 0.000 0.287 370 I C 0.233 176.192 176.117 -0.263 0.000 1.012 370 I CA -0.565 60.568 61.300 -0.277 0.000 1.195 370 I CB 1.634 39.450 38.000 -0.308 0.000 1.350 370 I HN 0.251 nan 8.210 nan 0.000 0.464 371 K N 2.808 123.064 120.400 -0.239 0.000 2.138 371 K HA 0.135 4.464 4.320 0.015 0.000 0.251 371 K C 1.323 177.764 176.600 -0.265 0.000 1.015 371 K CA -0.145 56.001 56.287 -0.235 0.000 0.917 371 K CB 0.808 33.175 32.500 -0.221 0.000 1.021 371 K HN 0.690 nan 8.250 nan 0.000 0.485 372 S N 0.539 116.089 115.700 -0.251 0.000 2.442 372 S HA -0.106 4.373 4.470 0.015 0.000 0.236 372 S C 0.691 175.100 174.600 -0.319 0.000 1.007 372 S CA 0.928 58.970 58.200 -0.263 0.000 0.965 372 S CB -0.102 62.973 63.200 -0.208 0.000 0.773 372 S HN 0.526 nan 8.310 nan 0.000 0.504 373 N N 0.135 118.583 118.700 -0.420 0.000 2.433 373 N HA 0.307 5.056 4.740 0.015 0.000 0.270 373 N C 0.661 175.839 175.510 -0.553 0.000 1.354 373 N CA -0.038 52.646 53.050 -0.610 0.000 0.889 373 N CB 0.540 38.260 38.487 -1.278 0.000 1.285 373 N HN 0.451 nan 8.380 nan 0.000 0.503 374 M N -0.364 118.976 119.600 -0.434 0.000 2.080 374 M HA -0.063 4.425 4.480 0.015 0.000 0.260 374 M C 0.141 176.143 176.300 -0.496 0.000 1.068 374 M CA 2.039 57.019 55.300 -0.534 0.000 1.109 374 M CB 0.045 32.180 32.600 -0.775 0.000 1.342 374 M HN -0.014 nan 8.290 nan 0.000 0.405 375 F N -0.147 119.805 119.950 0.002 0.000 2.639 375 F HA 0.254 4.791 4.527 0.017 0.000 0.302 375 F C 0.565 176.377 175.800 0.019 0.000 1.097 375 F CA -0.327 57.696 58.000 0.038 0.000 1.294 375 F CB -0.701 38.292 39.000 -0.012 0.000 1.027 375 F HN -0.142 nan 8.300 nan 0.000 0.550 376 T N 0.580 115.170 114.554 0.060 0.000 2.908 376 T HA 0.342 4.701 4.350 0.015 0.000 0.301 376 T C 1.270 176.040 174.700 0.117 0.000 1.019 376 T CA 1.343 63.482 62.100 0.066 0.000 1.152 376 T CB 0.484 69.329 68.868 -0.037 0.000 0.966 376 T HN 0.667 nan 8.240 nan 0.000 0.540 377 G N 2.638 111.512 108.800 0.124 0.000 2.213 377 G HA2 -0.200 3.768 3.960 0.015 0.000 0.226 377 G HA3 -0.200 3.768 3.960 0.015 0.000 0.226 377 G C 0.313 175.273 174.900 0.100 0.000 0.992 377 G CA -0.496 44.654 45.100 0.083 0.000 0.632 377 G HN 0.678 nan 8.290 nan 0.000 0.511 378 L N 2.552 123.852 121.223 0.128 0.000 2.437 378 L HA 0.351 4.700 4.340 0.015 0.000 0.243 378 L C 2.078 178.995 176.870 0.078 0.000 1.346 378 L CA -0.171 54.733 54.840 0.107 0.000 1.233 378 L CB -0.217 41.906 42.059 0.107 0.000 1.436 378 L HN 0.500 nan 8.230 nan 0.000 0.416 379 I N -2.934 117.681 120.570 0.074 0.000 3.444 379 I HA 0.015 4.194 4.170 0.015 0.000 0.287 379 I C 1.045 177.181 176.117 0.031 0.000 1.302 379 I CA 0.703 62.042 61.300 0.065 0.000 1.368 379 I CB -0.172 37.862 38.000 0.057 0.000 1.048 379 I HN 0.424 nan 8.210 nan 0.000 0.487 380 N N 1.063 119.775 118.700 0.020 0.000 2.170 380 N HA 0.225 4.974 4.740 0.015 0.000 0.222 380 N C -0.012 175.477 175.510 -0.034 0.000 1.218 380 N CA -0.270 52.775 53.050 -0.008 0.000 0.889 380 N CB 1.160 39.652 38.487 0.008 0.000 1.083 380 N HN 0.225 nan 8.380 nan 0.000 0.520 381 L N 1.700 122.902 121.223 -0.035 0.000 2.418 381 L HA 0.114 4.462 4.340 0.015 0.000 0.274 381 L C 1.029 177.825 176.870 -0.123 0.000 1.135 381 L CA 0.775 55.576 54.840 -0.064 0.000 0.870 381 L CB 0.591 42.600 42.059 -0.084 0.000 1.154 381 L HN -0.108 nan 8.230 nan 0.000 0.462 382 K N 4.023 124.351 120.400 -0.119 0.000 2.399 382 K HA 0.118 4.447 4.320 0.015 0.000 0.196 382 K C -0.838 175.717 176.600 -0.076 0.000 1.117 382 K CA 0.031 56.191 56.287 -0.212 0.000 0.965 382 K CB 0.624 32.979 32.500 -0.242 0.000 0.983 382 K HN 0.555 nan 8.250 nan 0.000 0.531 383 Y N 0.949 121.132 120.300 -0.195 0.000 2.391 383 Y HA 0.498 5.057 4.550 0.014 0.000 0.341 383 Y C -1.810 173.890 175.900 -0.332 0.000 0.965 383 Y CA -1.513 56.430 58.100 -0.261 0.000 1.067 383 Y CB 1.427 39.671 38.460 -0.359 0.000 1.199 383 Y HN -0.183 nan 8.280 nan 0.000 0.450 384 L N 5.725 126.505 121.223 -0.738 0.000 2.441 384 L HA 0.515 4.864 4.340 0.015 0.000 0.270 384 L C -1.327 175.133 176.870 -0.683 0.000 0.973 384 L CA -0.162 54.328 54.840 -0.583 0.000 0.842 384 L CB 1.954 43.714 42.059 -0.498 0.000 1.239 384 L HN 0.582 nan 8.230 nan 0.000 0.406 385 S N 5.271 120.684 115.700 -0.478 0.000 2.422 385 S HA 0.577 5.055 4.470 0.015 0.000 0.308 385 S C 0.240 174.760 174.600 -0.133 0.000 1.097 385 S CA -0.482 57.550 58.200 -0.279 0.000 1.099 385 S CB 0.354 63.507 63.200 -0.078 0.000 0.976 385 S HN 0.706 nan 8.310 nan 0.000 0.471 386 L N 3.943 125.118 121.223 -0.080 0.000 3.066 386 L HA 0.312 4.660 4.340 0.015 0.000 0.265 386 L C 0.816 177.685 176.870 -0.001 0.000 1.232 386 L CA -0.276 54.555 54.840 -0.015 0.000 1.031 386 L CB 0.548 42.731 42.059 0.206 0.000 1.379 386 L HN 0.590 nan 8.230 nan 0.000 0.563 387 S N 1.422 117.113 115.700 -0.015 0.000 2.555 387 S HA -0.032 4.447 4.470 0.015 0.000 0.293 387 S C 1.127 175.721 174.600 -0.010 0.000 1.248 387 S CA 0.152 58.359 58.200 0.010 0.000 1.096 387 S CB -0.172 63.031 63.200 0.006 0.000 0.881 387 S HN 0.642 nan 8.310 nan 0.000 0.498 388 N N 3.263 121.978 118.700 0.024 0.000 2.721 388 N HA -0.172 4.577 4.740 0.015 0.000 0.249 388 N C 0.458 175.917 175.510 -0.084 0.000 1.072 388 N CA 1.161 54.214 53.050 0.005 0.000 0.710 388 N CB -1.459 37.032 38.487 0.007 0.000 0.993 388 N HN 0.466 nan 8.380 nan 0.000 0.547 389 S N -1.268 114.297 115.700 -0.224 0.000 2.503 389 S HA 0.270 4.749 4.470 0.015 0.000 0.217 389 S C 0.025 174.179 174.600 -0.744 0.000 0.999 389 S CA 0.235 58.098 58.200 -0.561 0.000 0.914 389 S CB 0.175 62.824 63.200 -0.919 0.000 0.782 389 S HN 0.386 nan 8.310 nan 0.000 0.520 390 F N 0.576 120.539 119.950 0.022 0.000 2.579 390 F HA 0.326 4.860 4.527 0.013 0.000 0.324 390 F C 1.669 177.471 175.800 0.003 0.000 1.058 390 F CA -1.101 56.900 58.000 0.002 0.000 0.944 390 F CB 0.675 39.678 39.000 0.005 0.000 1.245 390 F HN -0.105 nan 8.300 nan 0.000 0.477 391 T N -2.154 112.508 114.554 0.181 0.000 2.708 391 T HA 0.059 4.418 4.350 0.015 0.000 0.266 391 T C 0.456 175.221 174.700 0.107 0.000 1.037 391 T CA 1.305 63.466 62.100 0.102 0.000 1.146 391 T CB -0.385 68.522 68.868 0.065 0.000 0.865 391 T HN 0.602 nan 8.240 nan 0.000 0.435 392 S N -0.314 115.458 115.700 0.119 0.000 2.611 392 S HA 0.614 5.093 4.470 0.015 0.000 0.268 392 S C -1.705 172.914 174.600 0.031 0.000 1.156 392 S CA -1.142 57.120 58.200 0.104 0.000 0.817 392 S CB 1.722 64.955 63.200 0.054 0.000 1.122 392 S HN 0.203 nan 8.310 nan 0.000 0.466 393 L N 1.561 122.779 121.223 -0.008 0.000 2.529 393 L HA 0.536 4.885 4.340 0.015 0.000 0.246 393 L C 1.303 178.132 176.870 -0.069 0.000 1.394 393 L CA -0.371 54.384 54.840 -0.143 0.000 0.906 393 L CB 0.589 42.516 42.059 -0.219 0.000 1.170 393 L HN 0.898 nan 8.230 nan 0.000 0.501 394 R N 0.442 120.906 120.500 -0.060 0.000 2.091 394 R HA -0.012 4.337 4.340 0.015 0.000 0.238 394 R C -0.223 176.048 176.300 -0.049 0.000 1.136 394 R CA 1.591 57.669 56.100 -0.036 0.000 0.959 394 R CB 0.223 30.503 30.300 -0.034 0.000 0.856 394 R HN 0.488 nan 8.270 nan 0.000 0.437 395 T N 0.995 115.499 114.554 -0.084 0.000 2.879 395 T HA 0.369 4.728 4.350 0.015 0.000 0.290 395 T C -0.837 173.782 174.700 -0.135 0.000 0.993 395 T CA -0.641 61.402 62.100 -0.094 0.000 0.975 395 T CB 1.797 70.608 68.868 -0.094 0.000 0.981 395 T HN 0.050 nan 8.240 nan 0.000 0.439 396 L N 4.572 125.723 121.223 -0.120 0.000 2.295 396 L HA 0.386 4.735 4.340 0.015 0.000 0.288 396 L C 1.335 178.088 176.870 -0.195 0.000 1.079 396 L CA -0.631 54.108 54.840 -0.169 0.000 0.830 396 L CB 0.239 42.249 42.059 -0.082 0.000 1.200 396 L HN 0.748 nan 8.230 nan 0.000 0.438 397 T N -1.432 112.999 114.554 -0.205 0.000 2.884 397 T HA 0.141 4.500 4.350 0.015 0.000 0.277 397 T C 1.123 175.757 174.700 -0.110 0.000 0.976 397 T CA -0.712 61.298 62.100 -0.150 0.000 0.956 397 T CB 0.966 69.758 68.868 -0.127 0.000 1.113 397 T HN 0.595 nan 8.240 nan 0.000 0.554 398 N N -0.001 118.668 118.700 -0.053 0.000 2.571 398 N HA -0.064 4.684 4.740 0.015 0.000 0.189 398 N C 0.758 176.434 175.510 0.276 0.000 1.154 398 N CA 0.491 53.569 53.050 0.047 0.000 0.907 398 N CB -0.249 38.235 38.487 -0.006 0.000 0.977 398 N HN 0.674 nan 8.380 nan 0.000 0.449 399 E N -0.732 119.533 120.200 0.109 0.000 2.514 399 E HA 0.097 4.456 4.350 0.015 0.000 0.215 399 E C 0.995 177.502 176.600 -0.154 0.000 0.946 399 E CA 0.196 56.616 56.400 0.034 0.000 1.038 399 E CB -0.007 29.664 29.700 -0.049 0.000 1.069 399 E HN 0.302 nan 8.360 nan 0.000 0.503 400 T N 1.041 115.445 114.554 -0.250 0.000 2.635 400 T HA -0.148 4.211 4.350 0.015 0.000 0.267 400 T C 1.101 175.412 174.700 -0.648 0.000 1.040 400 T CA 1.333 63.088 62.100 -0.575 0.000 1.156 400 T CB -0.246 68.098 68.868 -0.872 0.000 0.863 400 T HN 0.089 nan 8.240 nan 0.000 0.430 401 F N 0.273 120.217 119.950 -0.010 0.000 2.645 401 F HA 0.377 4.914 4.527 0.016 0.000 0.300 401 F C 1.768 177.377 175.800 -0.318 0.000 1.115 401 F CA -0.970 57.033 58.000 0.006 0.000 1.355 401 F CB -0.684 38.432 39.000 0.193 0.000 1.026 401 F HN -0.077 nan 8.300 nan 0.000 0.536 402 V N 0.607 120.098 119.914 -0.706 0.000 2.380 402 V HA -0.293 3.836 4.120 0.015 0.000 0.251 402 V C 2.274 177.964 176.094 -0.673 0.000 1.063 402 V CA 2.625 64.070 62.300 -1.425 0.000 1.055 402 V CB -0.484 30.590 31.823 -1.249 0.000 0.657 402 V HN 0.535 nan 8.190 nan 0.000 0.455 403 S N -1.041 114.476 115.700 -0.305 0.000 2.555 403 S HA 0.037 4.516 4.470 0.015 0.000 0.230 403 S C 1.491 176.107 174.600 0.028 0.000 0.978 403 S CA 1.123 59.249 58.200 -0.124 0.000 0.934 403 S CB -0.387 62.769 63.200 -0.074 0.000 0.766 403 S HN 0.594 nan 8.310 nan 0.000 0.533 404 L N 0.444 121.688 121.223 0.035 0.000 2.607 404 L HA 0.402 4.750 4.340 0.015 0.000 0.228 404 L C 2.517 179.409 176.870 0.037 0.000 1.123 404 L CA 0.365 55.246 54.840 0.069 0.000 0.890 404 L CB -0.307 41.798 42.059 0.076 0.000 1.103 404 L HN 0.382 nan 8.230 nan 0.000 0.468 405 A N -0.322 122.453 122.820 -0.075 0.000 1.986 405 A HA -0.208 4.121 4.320 0.015 0.000 0.220 405 A C 1.659 179.117 177.584 -0.210 0.000 1.171 405 A CA 1.454 53.427 52.037 -0.107 0.000 0.640 405 A CB -0.495 18.358 19.000 -0.245 0.000 0.811 405 A HN 0.478 nan 8.150 nan 0.000 0.451 406 H N -0.714 118.427 119.070 0.119 0.000 2.505 406 H HA 0.308 4.872 4.556 0.014 0.000 0.286 406 H C -0.346 175.034 175.328 0.086 0.000 1.072 406 H CA 0.009 56.121 56.048 0.106 0.000 1.141 406 H CB 0.125 29.935 29.762 0.080 0.000 1.550 406 H HN 0.288 nan 8.280 nan 0.000 0.547 407 S N 3.376 119.159 115.700 0.138 0.000 2.508 407 S HA 0.199 4.678 4.470 0.015 0.000 0.284 407 S C -2.087 172.559 174.600 0.076 0.000 1.192 407 S CA -1.144 57.102 58.200 0.077 0.000 1.070 407 S CB 1.913 65.126 63.200 0.022 0.000 1.004 407 S HN 0.183 nan 8.310 nan 0.000 0.493 408 P HA 0.159 nan 4.420 nan 0.000 0.218 408 P C -0.522 176.701 177.300 -0.128 0.000 1.793 408 P CA -0.381 62.687 63.100 -0.052 0.000 0.941 408 P CB -0.316 31.282 31.700 -0.170 0.000 1.919 409 L N 1.292 122.516 121.223 0.002 0.000 2.410 409 L HA 0.095 4.444 4.340 0.015 0.000 0.273 409 L C 1.210 178.136 176.870 0.095 0.000 1.144 409 L CA 0.524 55.331 54.840 -0.054 0.000 0.863 409 L CB -0.083 41.939 42.059 -0.061 0.000 1.140 409 L HN 0.222 nan 8.230 nan 0.000 0.463 410 H N 4.710 123.773 119.070 -0.011 0.000 2.615 410 H HA 0.357 4.921 4.556 0.015 0.000 0.275 410 H C -0.339 174.963 175.328 -0.044 0.000 0.981 410 H CA -0.175 55.870 56.048 -0.005 0.000 1.252 410 H CB 0.787 30.555 29.762 0.010 0.000 1.447 410 H HN 0.397 nan 8.280 nan 0.000 0.498 411 I N 1.942 122.522 120.570 0.018 0.000 2.466 411 I HA 0.203 4.382 4.170 0.015 0.000 0.289 411 I C -1.571 174.359 176.117 -0.311 0.000 1.026 411 I CA -0.926 60.306 61.300 -0.112 0.000 1.078 411 I CB 3.045 41.013 38.000 -0.054 0.000 1.249 411 I HN -0.037 nan 8.210 nan 0.000 0.429 412 L N 7.206 128.258 121.223 -0.286 0.000 2.404 412 L HA 0.528 4.877 4.340 0.015 0.000 0.272 412 L C -1.100 175.614 176.870 -0.260 0.000 0.980 412 L CA -0.165 54.481 54.840 -0.324 0.000 0.836 412 L CB 1.487 43.363 42.059 -0.304 0.000 1.238 412 L HN 0.489 nan 8.230 nan 0.000 0.408 413 N N 5.432 123.968 118.700 -0.272 0.000 2.444 413 N HA 0.382 5.131 4.740 0.015 0.000 0.262 413 N C -0.459 175.022 175.510 -0.049 0.000 0.974 413 N CA -0.219 52.738 53.050 -0.156 0.000 0.933 413 N CB 1.275 39.656 38.487 -0.178 0.000 1.137 413 N HN 0.813 nan 8.380 nan 0.000 0.498 414 L N 2.188 123.427 121.223 0.028 0.000 3.066 414 L HA 0.152 4.500 4.340 0.015 0.000 0.265 414 L C 0.701 177.658 176.870 0.146 0.000 1.232 414 L CA -0.258 54.665 54.840 0.138 0.000 1.031 414 L CB 0.186 42.366 42.059 0.202 0.000 1.379 414 L HN 0.494 nan 8.230 nan 0.000 0.563 415 T N -2.218 112.393 114.554 0.096 0.000 2.903 415 T HA 0.127 4.486 4.350 0.015 0.000 0.314 415 T C 0.653 175.417 174.700 0.106 0.000 1.078 415 T CA -0.309 61.853 62.100 0.104 0.000 1.114 415 T CB 0.695 69.600 68.868 0.061 0.000 0.987 415 T HN 0.292 nan 8.240 nan 0.000 0.548 416 K N 0.800 121.266 120.400 0.109 0.000 3.117 416 K HA -0.149 4.180 4.320 0.015 0.000 0.269 416 K C 0.031 176.695 176.600 0.108 0.000 1.098 416 K CA 0.585 56.927 56.287 0.091 0.000 0.785 416 K CB -1.511 31.025 32.500 0.060 0.000 1.242 416 K HN 0.604 nan 8.250 nan 0.000 0.491 417 N N 0.960 119.744 118.700 0.140 0.000 2.234 417 N HA 0.061 4.810 4.740 0.015 0.000 0.227 417 N C -0.562 175.028 175.510 0.133 0.000 1.151 417 N CA 0.016 53.171 53.050 0.175 0.000 0.865 417 N CB 0.567 39.215 38.487 0.267 0.000 1.066 417 N HN 0.244 nan 8.380 nan 0.000 0.515 418 K N 0.561 121.023 120.400 0.103 0.000 3.035 418 K HA -0.180 4.149 4.320 0.015 0.000 0.262 418 K C -0.291 176.349 176.600 0.067 0.000 1.024 418 K CA 0.494 56.827 56.287 0.078 0.000 0.748 418 K CB -1.654 30.885 32.500 0.065 0.000 1.247 418 K HN 0.340 nan 8.250 nan 0.000 0.482 419 I N 1.253 121.873 120.570 0.083 0.000 2.598 419 I HA -0.099 4.080 4.170 0.015 0.000 0.284 419 I C 1.588 177.729 176.117 0.040 0.000 1.140 419 I CA 0.460 61.799 61.300 0.065 0.000 1.420 419 I CB 1.018 39.082 38.000 0.106 0.000 1.387 419 I HN 0.243 nan 8.210 nan 0.000 0.553 420 S N 3.644 119.349 115.700 0.009 0.000 2.524 420 S HA 0.200 4.679 4.470 0.015 0.000 0.222 420 S C 0.342 174.911 174.600 -0.051 0.000 1.040 420 S CA -0.311 57.879 58.200 -0.017 0.000 0.915 420 S CB 0.309 63.501 63.200 -0.013 0.000 0.831 420 S HN 0.558 nan 8.310 nan 0.000 0.492 421 K N 1.111 121.484 120.400 -0.046 0.000 2.535 421 K HA 0.598 4.927 4.320 0.015 0.000 0.250 421 K C -2.062 174.493 176.600 -0.075 0.000 0.948 421 K CA -0.542 55.700 56.287 -0.075 0.000 0.796 421 K CB 1.252 33.708 32.500 -0.074 0.000 1.216 421 K HN 0.203 nan 8.250 nan 0.000 0.432 422 I N 3.610 124.120 120.570 -0.101 0.000 2.355 422 I HA 0.316 4.494 4.170 0.015 0.000 0.288 422 I C 0.202 176.204 176.117 -0.192 0.000 0.999 422 I CA -0.700 60.520 61.300 -0.133 0.000 1.163 422 I CB 1.719 39.651 38.000 -0.112 0.000 1.316 422 I HN 0.527 nan 8.210 nan 0.000 0.454 423 E N 3.278 123.363 120.200 -0.192 0.000 2.312 423 E HA 0.214 4.572 4.350 0.015 0.000 0.259 423 E C -0.024 176.444 176.600 -0.219 0.000 1.122 423 E CA -0.538 55.753 56.400 -0.182 0.000 0.922 423 E CB 1.154 30.766 29.700 -0.146 0.000 1.109 423 E HN 0.559 nan 8.360 nan 0.000 0.442 424 S N 1.360 116.946 115.700 -0.190 0.000 2.558 424 S HA -0.087 4.392 4.470 0.015 0.000 0.291 424 S C -0.082 174.408 174.600 -0.184 0.000 1.306 424 S CA 0.193 58.280 58.200 -0.188 0.000 1.056 424 S CB -0.019 63.093 63.200 -0.146 0.000 0.836 424 S HN 0.596 nan 8.310 nan 0.000 0.504 425 D N 1.559 121.847 120.400 -0.186 0.000 3.012 425 D HA -0.222 4.427 4.640 0.015 0.000 0.222 425 D C 0.909 177.070 176.300 -0.231 0.000 1.167 425 D CA 0.996 54.876 54.000 -0.200 0.000 0.854 425 D CB -1.705 38.966 40.800 -0.215 0.000 1.107 425 D HN 0.653 nan 8.370 nan 0.000 0.421 426 A N -0.545 122.092 122.820 -0.304 0.000 2.019 426 A HA -0.037 4.291 4.320 0.015 0.000 0.219 426 A C 1.464 178.792 177.584 -0.426 0.000 1.164 426 A CA 1.135 52.902 52.037 -0.450 0.000 0.644 426 A CB -0.321 18.198 19.000 -0.802 0.000 0.805 426 A HN 0.253 nan 8.150 nan 0.000 0.449 427 F N -0.644 119.366 119.950 0.099 0.000 2.735 427 F HA 0.151 4.687 4.527 0.015 0.000 0.308 427 F C 1.985 177.765 175.800 -0.033 0.000 1.112 427 F CA 0.140 58.198 58.000 0.097 0.000 1.235 427 F CB -0.154 38.906 39.000 0.100 0.000 1.027 427 F HN 0.200 nan 8.300 nan 0.000 0.528 428 S N -1.150 114.454 115.700 -0.159 0.000 2.469 428 S HA -0.217 4.261 4.470 0.015 0.000 0.238 428 S C 1.340 175.726 174.600 -0.358 0.000 0.998 428 S CA 0.727 58.721 58.200 -0.342 0.000 0.957 428 S CB -0.738 62.133 63.200 -0.550 0.000 0.764 428 S HN 0.576 nan 8.310 nan 0.000 0.514 429 W N 1.176 122.520 121.300 0.073 0.000 2.937 429 W HA 0.433 5.103 4.660 0.016 0.000 0.245 429 W C 0.578 177.116 176.519 0.032 0.000 1.306 429 W CA -0.483 56.884 57.345 0.037 0.000 1.470 429 W CB -0.123 29.370 29.460 0.055 0.000 1.132 429 W HN 0.208 nan 8.180 nan 0.000 0.675 430 L N 0.745 122.085 121.223 0.195 0.000 3.030 430 L HA 0.424 4.773 4.340 0.015 0.000 0.252 430 L C 1.767 178.665 176.870 0.046 0.000 1.316 430 L CA -0.302 54.621 54.840 0.138 0.000 0.975 430 L CB -0.206 41.936 42.059 0.138 0.000 1.357 430 L HN 0.042 nan 8.230 nan 0.000 0.534 431 G N -1.391 107.384 108.800 -0.042 0.000 2.498 431 G HA2 -0.203 3.766 3.960 0.015 0.000 0.219 431 G HA3 -0.203 3.766 3.960 0.015 0.000 0.219 431 G C 0.985 175.711 174.900 -0.290 0.000 1.119 431 G CA 0.512 45.504 45.100 -0.181 0.000 0.766 431 G HN 0.564 nan 8.290 nan 0.000 0.552 432 H N -1.520 117.603 119.070 0.087 0.000 2.551 432 H HA 0.318 4.882 4.556 0.014 0.000 0.271 432 H C 0.336 175.730 175.328 0.110 0.000 0.984 432 H CA -0.864 55.249 56.048 0.109 0.000 1.164 432 H CB 0.532 30.409 29.762 0.192 0.000 1.437 432 H HN 0.199 nan 8.280 nan 0.000 0.550 433 L N 1.548 122.847 121.223 0.126 0.000 2.453 433 L HA 0.002 4.351 4.340 0.015 0.000 0.272 433 L C 0.784 177.675 176.870 0.034 0.000 1.182 433 L CA 0.774 55.659 54.840 0.076 0.000 0.858 433 L CB 0.760 42.813 42.059 -0.010 0.000 1.120 433 L HN 0.238 nan 8.230 nan 0.000 0.474 434 E N 2.496 122.716 120.200 0.034 0.000 2.332 434 E HA 0.178 4.536 4.350 0.015 0.000 0.202 434 E C -0.712 175.939 176.600 0.084 0.000 0.877 434 E CA 0.141 56.566 56.400 0.041 0.000 0.979 434 E CB 0.745 30.424 29.700 -0.034 0.000 0.969 434 E HN 0.388 nan 8.360 nan 0.000 0.495 435 V N 2.311 122.248 119.914 0.038 0.000 2.531 435 V HA 0.324 4.453 4.120 0.015 0.000 0.301 435 V C -1.250 174.797 176.094 -0.079 0.000 1.034 435 V CA -0.851 61.462 62.300 0.023 0.000 0.865 435 V CB 2.028 33.892 31.823 0.068 0.000 0.995 435 V HN 0.067 nan 8.190 nan 0.000 0.424 436 L N 4.084 125.236 121.223 -0.119 0.000 2.372 436 L HA 0.678 5.026 4.340 0.015 0.000 0.273 436 L C -0.851 175.964 176.870 -0.092 0.000 0.989 436 L CA 0.023 54.749 54.840 -0.190 0.000 0.841 436 L CB 1.536 43.388 42.059 -0.344 0.000 1.225 436 L HN 0.638 nan 8.230 nan 0.000 0.414 437 D N 4.836 125.201 120.400 -0.058 0.000 2.412 437 D HA 0.292 4.941 4.640 0.015 0.000 0.224 437 D C 0.187 176.541 176.300 0.090 0.000 1.093 437 D CA 0.032 54.053 54.000 0.035 0.000 0.850 437 D CB 1.042 41.813 40.800 -0.048 0.000 1.046 437 D HN 0.663 nan 8.370 nan 0.000 0.507 438 L N 2.740 124.072 121.223 0.182 0.000 2.857 438 L HA 0.354 4.702 4.340 0.015 0.000 0.249 438 L C 1.403 178.430 176.870 0.260 0.000 1.172 438 L CA -0.435 54.532 54.840 0.212 0.000 0.980 438 L CB 0.794 42.993 42.059 0.233 0.000 1.299 438 L HN 0.329 nan 8.230 nan 0.000 0.535 439 G N -0.519 108.510 108.800 0.382 0.000 2.636 439 G HA2 0.326 4.295 3.960 0.015 0.000 0.246 439 G HA3 0.326 4.295 3.960 0.015 0.000 0.246 439 G C 0.589 175.678 174.900 0.314 0.000 1.216 439 G CA -0.399 44.981 45.100 0.466 0.000 0.854 439 G HN 0.295 nan 8.290 nan 0.000 0.572 440 L N -0.264 121.158 121.223 0.332 0.000 3.608 440 L HA -0.194 4.154 4.340 0.015 0.000 0.422 440 L C 0.495 177.462 176.870 0.161 0.000 1.260 440 L CA -0.022 54.948 54.840 0.217 0.000 0.889 440 L CB -1.697 40.444 42.059 0.136 0.000 1.821 440 L HN 0.574 nan 8.230 nan 0.000 0.884 441 N N 0.207 119.006 118.700 0.165 0.000 3.124 441 N HA 0.462 5.211 4.740 0.015 0.000 0.350 441 N C 0.269 175.841 175.510 0.104 0.000 1.411 441 N CA -0.540 52.587 53.050 0.128 0.000 0.729 441 N CB 0.694 39.261 38.487 0.135 0.000 1.379 441 N HN 0.126 nan 8.380 nan 0.000 0.599 442 E N 0.924 121.170 120.200 0.076 0.000 3.157 442 E HA 0.330 4.689 4.350 0.015 0.000 0.203 442 E C -0.432 176.177 176.600 0.014 0.000 0.982 442 E CA -0.190 56.243 56.400 0.055 0.000 1.217 442 E CB 0.327 30.057 29.700 0.051 0.000 1.123 442 E HN 0.434 nan 8.360 nan 0.000 0.457 443 I N 1.120 121.692 120.570 0.004 0.000 2.533 443 I HA 0.190 4.369 4.170 0.015 0.000 0.284 443 I C 0.824 176.816 176.117 -0.208 0.000 1.109 443 I CA 0.265 61.526 61.300 -0.065 0.000 1.412 443 I CB 0.887 38.876 38.000 -0.017 0.000 1.396 443 I HN 0.057 nan 8.210 nan 0.000 0.543 444 G N 6.584 115.166 108.800 -0.362 0.000 2.883 444 G HA2 0.601 4.569 3.960 0.015 0.000 0.285 444 G HA3 0.601 4.569 3.960 0.015 0.000 0.285 444 G C -1.050 173.199 174.900 -1.085 0.000 1.526 444 G CA -0.302 44.232 45.100 -0.943 0.000 1.062 444 G HN 0.648 nan 8.290 nan 0.000 0.550 445 Q N 0.170 119.253 119.800 -1.194 0.000 2.756 445 Q HA 0.360 4.709 4.340 0.015 0.000 0.295 445 Q C -1.410 174.497 176.000 -0.155 0.000 0.903 445 Q CA -1.078 54.460 55.803 -0.440 0.000 0.768 445 Q CB 1.330 29.920 28.738 -0.247 0.000 1.472 445 Q HN 0.375 nan 8.270 nan 0.000 0.416 446 E N 1.410 121.613 120.200 0.006 0.000 2.338 446 E HA 0.267 4.625 4.350 0.015 0.000 0.272 446 E C -0.986 175.552 176.600 -0.103 0.000 1.029 446 E CA -0.437 55.957 56.400 -0.009 0.000 0.872 446 E CB 0.717 30.416 29.700 -0.001 0.000 1.015 446 E HN 0.513 nan 8.360 nan 0.000 0.417 447 L N 5.506 126.655 121.223 -0.124 0.000 2.312 447 L HA 0.111 4.459 4.340 0.015 0.000 0.287 447 L C 1.672 178.407 176.870 -0.225 0.000 1.091 447 L CA -0.246 54.465 54.840 -0.215 0.000 0.846 447 L CB 0.657 42.581 42.059 -0.225 0.000 1.219 447 L HN 0.801 nan 8.230 nan 0.000 0.439 448 T N -1.599 112.821 114.554 -0.224 0.000 2.951 448 T HA 0.003 4.361 4.350 0.015 0.000 0.268 448 T C 1.451 176.036 174.700 -0.192 0.000 1.073 448 T CA 0.889 62.882 62.100 -0.179 0.000 1.134 448 T CB 0.186 68.960 68.868 -0.157 0.000 0.884 448 T HN 0.863 nan 8.240 nan 0.000 0.479 449 G N 0.493 109.129 108.800 -0.273 0.000 2.259 449 G HA2 -0.251 3.718 3.960 0.015 0.000 0.217 449 G HA3 -0.251 3.718 3.960 0.015 0.000 0.217 449 G C 1.030 175.818 174.900 -0.186 0.000 1.001 449 G CA 0.310 45.297 45.100 -0.189 0.000 0.627 449 G HN 0.460 nan 8.290 nan 0.000 0.501 450 Q N 0.565 120.234 119.800 -0.218 0.000 2.369 450 Q HA 0.051 4.400 4.340 0.015 0.000 0.206 450 Q C 2.115 177.963 176.000 -0.252 0.000 0.963 450 Q CA 1.547 57.241 55.803 -0.181 0.000 0.894 450 Q CB -0.098 28.547 28.738 -0.155 0.000 0.965 450 Q HN 0.739 nan 8.270 nan 0.000 0.475 451 E N -0.323 119.587 120.200 -0.483 0.000 2.160 451 E HA -0.182 4.177 4.350 0.015 0.000 0.195 451 E C 0.967 177.375 176.600 -0.320 0.000 0.991 451 E CA 1.172 57.203 56.400 -0.615 0.000 0.810 451 E CB -0.253 28.738 29.700 -1.182 0.000 0.742 451 E HN 0.523 nan 8.360 nan 0.000 0.466 452 W N 0.530 121.888 121.300 0.097 0.000 3.220 452 W HA 0.239 4.908 4.660 0.015 0.000 0.328 452 W C 0.603 177.161 176.519 0.066 0.000 1.205 452 W CA -1.140 56.280 57.345 0.124 0.000 1.773 452 W CB 0.244 29.755 29.460 0.085 0.000 1.086 452 W HN -0.211 nan 8.180 nan 0.000 0.622 453 R N 1.123 121.716 120.500 0.155 0.000 2.585 453 R HA 0.235 4.584 4.340 0.015 0.000 0.275 453 R C 1.396 177.722 176.300 0.044 0.000 1.018 453 R CA 1.711 57.848 56.100 0.063 0.000 1.072 453 R CB 0.207 30.488 30.300 -0.030 0.000 0.953 453 R HN 0.312 nan 8.270 nan 0.000 0.419 454 G N 3.219 112.028 108.800 0.015 0.000 2.217 454 G HA2 -0.270 3.699 3.960 0.015 0.000 0.246 454 G HA3 -0.270 3.699 3.960 0.015 0.000 0.246 454 G C 0.228 175.135 174.900 0.013 0.000 0.990 454 G CA 0.127 45.214 45.100 -0.022 0.000 0.627 454 G HN 0.547 nan 8.290 nan 0.000 0.522 455 L N 1.631 122.896 121.223 0.070 0.000 2.437 455 L HA 0.273 4.621 4.340 0.015 0.000 0.243 455 L C 1.630 178.510 176.870 0.017 0.000 1.346 455 L CA -0.175 54.698 54.840 0.054 0.000 1.233 455 L CB -0.084 42.029 42.059 0.090 0.000 1.436 455 L HN 0.359 nan 8.230 nan 0.000 0.416 456 E N -0.043 120.151 120.200 -0.011 0.000 2.268 456 E HA -0.110 4.249 4.350 0.015 0.000 0.195 456 E C 0.907 177.503 176.600 -0.008 0.000 0.995 456 E CA 0.662 57.053 56.400 -0.014 0.000 0.836 456 E CB 0.181 29.857 29.700 -0.041 0.000 0.763 456 E HN 0.553 nan 8.360 nan 0.000 0.491 457 N N 0.543 119.237 118.700 -0.009 0.000 2.200 457 N HA 0.086 4.835 4.740 0.015 0.000 0.224 457 N C -0.123 175.398 175.510 0.018 0.000 1.179 457 N CA -0.188 52.866 53.050 0.007 0.000 0.877 457 N CB 0.722 39.219 38.487 0.016 0.000 1.072 457 N HN 0.084 nan 8.380 nan 0.000 0.519 458 I N 1.063 121.633 120.570 -0.000 0.000 2.775 458 I HA -0.126 4.053 4.170 0.015 0.000 0.290 458 I C 0.967 177.106 176.117 0.037 0.000 1.203 458 I CA 0.391 61.681 61.300 -0.015 0.000 1.433 458 I CB 0.316 38.256 38.000 -0.099 0.000 1.354 458 I HN 0.007 nan 8.210 nan 0.000 0.579 459 F N 6.443 126.327 119.950 -0.110 0.000 2.592 459 F HA 0.380 4.916 4.527 0.014 0.000 0.280 459 F C 0.494 176.226 175.800 -0.114 0.000 1.083 459 F CA 0.046 57.987 58.000 -0.099 0.000 1.365 459 F CB 0.206 39.158 39.000 -0.079 0.000 1.100 459 F HN 0.512 nan 8.300 nan 0.000 0.633 460 E N 1.327 121.430 120.200 -0.162 0.000 2.275 460 E HA 0.448 4.807 4.350 0.015 0.000 0.270 460 E C -1.621 174.862 176.600 -0.195 0.000 0.882 460 E CA -0.625 55.613 56.400 -0.271 0.000 0.758 460 E CB 1.834 31.449 29.700 -0.142 0.000 1.195 460 E HN 0.224 nan 8.360 nan 0.000 0.419 461 I N 4.411 124.826 120.570 -0.258 0.000 2.418 461 I HA 0.257 4.436 4.170 0.015 0.000 0.287 461 I C -1.198 174.844 176.117 -0.125 0.000 1.008 461 I CA -0.912 60.241 61.300 -0.244 0.000 1.104 461 I CB 1.383 39.102 38.000 -0.469 0.000 1.264 461 I HN 0.553 nan 8.210 nan 0.000 0.438 462 Y N 6.947 127.168 120.300 -0.132 0.000 2.353 462 Y HA 0.471 5.030 4.550 0.015 0.000 0.340 462 Y C 0.071 175.965 175.900 -0.009 0.000 0.972 462 Y CA -0.143 57.918 58.100 -0.066 0.000 1.157 462 Y CB 1.036 39.478 38.460 -0.030 0.000 1.157 462 Y HN 0.528 nan 8.280 nan 0.000 0.495 463 L N 3.894 124.973 121.223 -0.240 0.000 3.016 463 L HA 0.253 4.602 4.340 0.015 0.000 0.267 463 L C 0.488 177.262 176.870 -0.160 0.000 1.182 463 L CA 0.007 54.813 54.840 -0.057 0.000 0.997 463 L CB 0.363 42.454 42.059 0.052 0.000 1.354 463 L HN 0.466 nan 8.230 nan 0.000 0.569 464 S N -0.090 115.300 115.700 -0.515 0.000 2.563 464 S HA 0.096 4.575 4.470 0.015 0.000 0.284 464 S C -0.505 174.043 174.600 -0.087 0.000 1.331 464 S CA 0.038 57.942 58.200 -0.494 0.000 1.047 464 S CB -0.092 62.615 63.200 -0.822 0.000 0.859 464 S HN 0.281 nan 8.310 nan 0.000 0.514 465 Y N -0.154 120.154 120.300 0.013 0.000 3.016 465 Y HA -0.196 4.362 4.550 0.015 0.000 0.152 465 Y C 0.266 176.202 175.900 0.061 0.000 1.832 465 Y CA -0.031 58.101 58.100 0.054 0.000 0.998 465 Y CB -2.099 36.415 38.460 0.090 0.000 1.507 465 Y HN 0.622 nan 8.280 nan 0.000 0.378 466 N N 0.144 118.918 118.700 0.123 0.000 2.761 466 N HA 0.405 5.154 4.740 0.015 0.000 0.283 466 N C 0.816 176.373 175.510 0.079 0.000 1.377 466 N CA -0.838 52.270 53.050 0.096 0.000 0.791 466 N CB 1.346 39.871 38.487 0.063 0.000 1.540 466 N HN 0.062 nan 8.380 nan 0.000 0.539 467 K N 0.102 120.536 120.400 0.056 0.000 2.021 467 K HA 0.004 4.333 4.320 0.015 0.000 0.205 467 K C 0.095 176.799 176.600 0.174 0.000 1.047 467 K CA 1.511 57.857 56.287 0.099 0.000 0.943 467 K CB -0.031 32.528 32.500 0.099 0.000 0.725 467 K HN 0.666 nan 8.250 nan 0.000 0.439 468 Y N -1.626 118.691 120.300 0.029 0.000 2.521 468 Y HA 0.548 5.107 4.550 0.015 0.000 0.332 468 Y C -1.649 174.266 175.900 0.024 0.000 1.121 468 Y CA -1.311 56.801 58.100 0.019 0.000 1.037 468 Y CB 0.899 39.364 38.460 0.009 0.000 1.330 468 Y HN -0.174 nan 8.280 nan 0.000 0.452 469 L N 4.891 126.190 121.223 0.125 0.000 2.376 469 L HA 0.480 4.829 4.340 0.015 0.000 0.275 469 L C -0.724 176.243 176.870 0.160 0.000 0.987 469 L CA -0.798 54.082 54.840 0.066 0.000 0.828 469 L CB 2.176 44.276 42.059 0.069 0.000 1.249 469 L HN 0.807 nan 8.230 nan 0.000 0.409 470 Q N 4.396 124.295 119.800 0.164 0.000 2.290 470 Q HA 0.584 4.933 4.340 0.015 0.000 0.259 470 Q C -1.411 174.604 176.000 0.026 0.000 0.941 470 Q CA -0.591 55.282 55.803 0.117 0.000 0.912 470 Q CB 1.539 30.366 28.738 0.149 0.000 1.244 470 Q HN 0.616 nan 8.270 nan 0.000 0.441 471 L N 2.654 123.877 121.223 -0.000 0.000 2.375 471 L HA 0.585 4.934 4.340 0.015 0.000 0.268 471 L C 0.497 177.316 176.870 -0.084 0.000 1.058 471 L CA -0.590 54.211 54.840 -0.064 0.000 0.803 471 L CB 1.701 43.721 42.059 -0.065 0.000 1.212 471 L HN 0.824 nan 8.230 nan 0.000 0.451 472 T N -2.914 111.566 114.554 -0.123 0.000 2.864 472 T HA 0.313 4.672 4.350 0.015 0.000 0.289 472 T C 0.764 175.395 174.700 -0.115 0.000 1.082 472 T CA -0.914 61.125 62.100 -0.101 0.000 1.009 472 T CB 1.516 70.330 68.868 -0.090 0.000 1.234 472 T HN 0.726 nan 8.240 nan 0.000 0.526 473 R N 0.793 121.243 120.500 -0.084 0.000 2.249 473 R HA -0.054 4.295 4.340 0.015 0.000 0.230 473 R C 0.825 177.092 176.300 -0.056 0.000 1.121 473 R CA 1.926 57.985 56.100 -0.069 0.000 0.997 473 R CB -0.817 29.458 30.300 -0.042 0.000 0.867 473 R HN 0.672 nan 8.270 nan 0.000 0.465 474 N N -0.074 118.585 118.700 -0.070 0.000 2.236 474 N HA 0.104 4.852 4.740 0.015 0.000 0.196 474 N C 0.655 176.113 175.510 -0.086 0.000 1.114 474 N CA 0.074 53.092 53.050 -0.053 0.000 0.859 474 N CB 0.792 39.248 38.487 -0.051 0.000 0.982 474 N HN 0.098 nan 8.380 nan 0.000 0.493 475 S N 0.180 115.764 115.700 -0.193 0.000 2.387 475 S HA -0.105 4.373 4.470 0.015 0.000 0.230 475 S C 0.502 174.806 174.600 -0.493 0.000 1.035 475 S CA 1.319 59.254 58.200 -0.440 0.000 1.014 475 S CB -0.116 62.658 63.200 -0.710 0.000 0.836 475 S HN 0.379 nan 8.310 nan 0.000 0.466 476 F N -0.577 119.465 119.950 0.154 0.000 2.772 476 F HA 0.522 5.057 4.527 0.014 0.000 0.316 476 F C 1.579 177.432 175.800 0.088 0.000 1.114 476 F CA -0.498 57.585 58.000 0.139 0.000 1.191 476 F CB -0.386 38.640 39.000 0.043 0.000 1.065 476 F HN 0.058 nan 8.300 nan 0.000 0.534 477 A N 0.331 123.258 122.820 0.177 0.000 2.019 477 A HA -0.082 4.247 4.320 0.015 0.000 0.219 477 A C 1.981 179.633 177.584 0.112 0.000 1.164 477 A CA 1.339 53.447 52.037 0.118 0.000 0.644 477 A CB -0.629 18.409 19.000 0.063 0.000 0.805 477 A HN 0.431 nan 8.150 nan 0.000 0.449 478 L N -0.159 121.153 121.223 0.149 0.000 2.599 478 L HA 0.030 4.379 4.340 0.015 0.000 0.230 478 L C 0.576 177.519 176.870 0.122 0.000 1.141 478 L CA 0.333 55.250 54.840 0.128 0.000 0.877 478 L CB 0.134 42.282 42.059 0.148 0.000 1.009 478 L HN 0.371 nan 8.230 nan 0.000 0.447 479 V N -3.748 116.238 119.914 0.120 0.000 2.572 479 V HA 0.288 4.417 4.120 0.015 0.000 0.274 479 V C -1.698 174.408 176.094 0.020 0.000 1.075 479 V CA -1.099 61.230 62.300 0.048 0.000 1.237 479 V CB 0.188 31.997 31.823 -0.023 0.000 1.517 479 V HN -0.042 nan 8.190 nan 0.000 0.616 480 P HA -0.075 nan 4.420 nan 0.000 0.230 480 P C 1.476 178.773 177.300 -0.005 0.000 1.158 480 P CA 1.607 64.717 63.100 0.018 0.000 0.769 480 P CB 0.308 32.023 31.700 0.025 0.000 0.807 481 S N -1.342 114.353 115.700 -0.010 0.000 2.562 481 S HA 0.014 4.493 4.470 0.015 0.000 0.221 481 S C 0.876 175.451 174.600 -0.041 0.000 0.975 481 S CA -0.379 57.815 58.200 -0.009 0.000 0.918 481 S CB -1.091 62.114 63.200 0.008 0.000 0.772 481 S HN -0.012 nan 8.310 nan 0.000 0.531 482 L N 2.237 123.406 121.223 -0.091 0.000 2.540 482 L HA 0.179 4.528 4.340 0.015 0.000 0.276 482 L C 1.054 177.791 176.870 -0.221 0.000 1.212 482 L CA 0.881 55.611 54.840 -0.183 0.000 0.893 482 L CB 0.415 42.331 42.059 -0.238 0.000 1.138 482 L HN 0.282 nan 8.230 nan 0.000 0.491 483 Q N 3.934 123.518 119.800 -0.361 0.000 2.369 483 Q HA 0.274 4.623 4.340 0.015 0.000 0.254 483 Q C -0.277 175.448 176.000 -0.458 0.000 0.858 483 Q CA 0.154 55.723 55.803 -0.390 0.000 0.961 483 Q CB 0.839 29.334 28.738 -0.404 0.000 1.119 483 Q HN 0.575 nan 8.270 nan 0.000 0.538 484 R N 0.801 120.965 120.500 -0.560 0.000 2.575 484 R HA 0.553 4.902 4.340 0.015 0.000 0.293 484 R C -1.689 174.386 176.300 -0.374 0.000 0.983 484 R CA -0.708 55.134 56.100 -0.430 0.000 0.887 484 R CB 2.150 32.189 30.300 -0.434 0.000 1.184 484 R HN -0.103 nan 8.270 nan 0.000 0.445 485 L N 3.802 124.818 121.223 -0.345 0.000 2.446 485 L HA 0.483 4.832 4.340 0.015 0.000 0.268 485 L C -1.504 175.169 176.870 -0.328 0.000 0.975 485 L CA -0.530 54.084 54.840 -0.377 0.000 0.848 485 L CB 1.972 43.728 42.059 -0.504 0.000 1.225 485 L HN 0.580 nan 8.230 nan 0.000 0.410 486 M N 7.175 126.576 119.600 -0.331 0.000 2.114 486 M HA 0.444 4.933 4.480 0.015 0.000 0.332 486 M C -0.529 175.521 176.300 -0.416 0.000 1.014 486 M CA -0.141 54.913 55.300 -0.410 0.000 0.956 486 M CB 1.283 33.500 32.600 -0.638 0.000 1.551 486 M HN 0.551 nan 8.290 nan 0.000 0.427 487 L N 2.604 123.642 121.223 -0.308 0.000 3.193 487 L HA 0.393 4.742 4.340 0.015 0.000 0.305 487 L C 0.344 177.078 176.870 -0.227 0.000 1.299 487 L CA -0.217 54.500 54.840 -0.205 0.000 0.904 487 L CB 0.407 42.433 42.059 -0.056 0.000 1.331 487 L HN 0.672 nan 8.230 nan 0.000 0.588 488 R N 1.683 121.970 120.500 -0.355 0.000 2.389 488 R HA 0.282 4.631 4.340 0.015 0.000 0.295 488 R C 0.445 176.483 176.300 -0.437 0.000 1.075 488 R CA -0.251 55.628 56.100 -0.367 0.000 1.005 488 R CB 0.386 30.422 30.300 -0.441 0.000 0.987 488 R HN 0.308 nan 8.270 nan 0.000 0.452 489 R N 2.953 123.292 120.500 -0.268 0.000 3.209 489 R HA -0.123 4.226 4.340 0.015 0.000 0.252 489 R C -0.208 176.021 176.300 -0.118 0.000 0.958 489 R CA 0.836 56.823 56.100 -0.190 0.000 0.651 489 R CB -1.316 28.852 30.300 -0.219 0.000 1.142 489 R HN 0.589 nan 8.270 nan 0.000 0.441 490 V N -2.019 117.854 119.914 -0.067 0.000 3.070 490 V HA 0.577 4.706 4.120 0.015 0.000 0.345 490 V C 0.851 176.979 176.094 0.056 0.000 1.403 490 V CA 0.471 62.770 62.300 -0.001 0.000 1.155 490 V CB 0.642 32.460 31.823 -0.008 0.000 1.140 490 V HN 0.719 nan 8.190 nan 0.000 0.505 491 A N 0.527 123.375 122.820 0.045 0.000 2.640 491 A HA -0.222 4.107 4.320 0.015 0.000 0.300 491 A C 0.103 177.732 177.584 0.075 0.000 1.499 491 A CA 1.103 53.177 52.037 0.061 0.000 0.759 491 A CB -2.000 17.056 19.000 0.093 0.000 1.048 491 A HN 1.326 nan 8.150 nan 0.000 0.450 492 L N 0.857 122.112 121.223 0.053 0.000 2.534 492 L HA 0.338 4.687 4.340 0.015 0.000 0.271 492 L C 0.319 177.222 176.870 0.055 0.000 1.178 492 L CA 0.844 55.725 54.840 0.069 0.000 0.907 492 L CB 0.274 42.371 42.059 0.064 0.000 1.164 492 L HN 0.359 nan 8.230 nan 0.000 0.482 493 K N 4.337 124.776 120.400 0.065 0.000 2.208 493 K HA 0.382 4.711 4.320 0.015 0.000 0.247 493 K C 0.068 176.680 176.600 0.020 0.000 0.953 493 K CA -0.703 55.603 56.287 0.032 0.000 0.837 493 K CB 1.164 33.679 32.500 0.026 0.000 1.131 493 K HN 0.658 nan 8.250 nan 0.000 0.431 494 N N -0.540 118.159 118.700 -0.002 0.000 2.754 494 N HA -0.206 4.542 4.740 0.015 0.000 0.248 494 N C 0.734 176.223 175.510 -0.034 0.000 1.093 494 N CA 0.515 53.553 53.050 -0.019 0.000 0.699 494 N CB -1.657 36.814 38.487 -0.026 0.000 1.016 494 N HN 0.475 nan 8.380 nan 0.000 0.552 495 V N -2.099 117.810 119.914 -0.009 0.000 2.759 495 V HA -0.148 3.981 4.120 0.015 0.000 0.256 495 V C 1.590 177.676 176.094 -0.014 0.000 1.080 495 V CA 1.902 64.201 62.300 -0.002 0.000 1.101 495 V CB -0.208 31.689 31.823 0.123 0.000 0.698 495 V HN 0.437 nan 8.190 nan 0.000 0.477 496 D N 0.588 120.979 120.400 -0.015 0.000 2.504 496 D HA 0.092 4.741 4.640 0.015 0.000 0.243 496 D C 0.639 176.929 176.300 -0.017 0.000 1.203 496 D CA 0.045 54.039 54.000 -0.009 0.000 0.847 496 D CB -0.465 40.329 40.800 -0.010 0.000 0.973 496 D HN 0.457 nan 8.370 nan 0.000 0.490 497 S N -0.325 115.351 115.700 -0.039 0.000 2.572 497 S HA 0.077 4.555 4.470 0.015 0.000 0.267 497 S C 1.300 175.887 174.600 -0.022 0.000 1.361 497 S CA -0.272 57.903 58.200 -0.042 0.000 1.009 497 S CB 1.151 64.307 63.200 -0.074 0.000 0.888 497 S HN 0.326 nan 8.310 nan 0.000 0.553 498 S N 1.147 116.838 115.700 -0.016 0.000 2.427 498 S HA 0.108 4.586 4.470 0.015 0.000 0.224 498 S C -1.895 172.710 174.600 0.007 0.000 1.047 498 S CA 0.008 58.208 58.200 -0.000 0.000 0.953 498 S CB -0.942 62.257 63.200 -0.002 0.000 0.824 498 S HN 0.583 nan 8.310 nan 0.000 0.502 499 P HA 0.395 nan 4.420 nan 0.000 0.292 499 P C -0.464 176.830 177.300 -0.009 0.000 1.287 499 P CA -0.288 62.816 63.100 0.008 0.000 0.800 499 P CB 1.155 32.860 31.700 0.008 0.000 0.945 500 S N 4.051 119.753 115.700 0.004 0.000 2.554 500 S HA 0.022 4.501 4.470 0.015 0.000 0.290 500 S C -1.258 173.270 174.600 -0.119 0.000 1.309 500 S CA -0.660 57.521 58.200 -0.031 0.000 1.047 500 S CB -0.183 63.056 63.200 0.065 0.000 0.828 500 S HN 0.260 nan 8.310 nan 0.000 0.509 501 P HA -0.034 nan 4.420 nan 0.000 0.221 501 P C 0.304 177.428 177.300 -0.292 0.000 1.145 501 P CA 1.186 64.063 63.100 -0.371 0.000 0.795 501 P CB -0.019 31.304 31.700 -0.629 0.000 0.775 502 F N -1.361 118.657 119.950 0.114 0.000 2.749 502 F HA 0.193 4.728 4.527 0.014 0.000 0.300 502 F C 2.405 178.227 175.800 0.037 0.000 1.103 502 F CA -0.127 57.904 58.000 0.051 0.000 1.342 502 F CB -1.042 37.951 39.000 -0.012 0.000 1.098 502 F HN -0.080 nan 8.300 nan 0.000 0.586 503 Q N 1.402 121.290 119.800 0.145 0.000 2.133 503 Q HA -0.199 4.150 4.340 0.015 0.000 0.208 503 Q C -0.740 175.312 176.000 0.087 0.000 0.991 503 Q CA 2.009 57.874 55.803 0.103 0.000 0.867 503 Q CB -1.080 27.697 28.738 0.065 0.000 0.911 503 Q HN 0.241 nan 8.270 nan 0.000 0.417 504 P HA -0.031 nan 4.420 nan 0.000 0.237 504 P C -0.315 177.022 177.300 0.062 0.000 1.178 504 P CA 0.890 64.034 63.100 0.073 0.000 0.766 504 P CB -0.006 31.746 31.700 0.086 0.000 0.876 505 L N 0.058 121.322 121.223 0.069 0.000 2.657 505 L HA 0.264 4.612 4.340 0.015 0.000 0.239 505 L C 1.340 178.211 176.870 0.001 0.000 1.215 505 L CA -0.524 54.330 54.840 0.023 0.000 1.161 505 L CB 0.233 42.292 42.059 0.001 0.000 1.436 505 L HN -0.147 nan 8.230 nan 0.000 0.414 506 R N 0.141 120.645 120.500 0.006 0.000 2.237 506 R HA -0.032 4.316 4.340 0.015 0.000 0.219 506 R C 0.672 176.957 176.300 -0.025 0.000 1.080 506 R CA 0.590 56.689 56.100 -0.001 0.000 0.995 506 R CB -0.103 30.200 30.300 0.005 0.000 0.875 506 R HN 0.473 nan 8.270 nan 0.000 0.462 507 N N 0.582 119.260 118.700 -0.036 0.000 2.270 507 N HA 0.020 4.769 4.740 0.015 0.000 0.198 507 N C -0.046 175.415 175.510 -0.083 0.000 1.117 507 N CA -0.167 52.852 53.050 -0.051 0.000 0.845 507 N CB 0.071 38.538 38.487 -0.034 0.000 0.980 507 N HN 0.024 nan 8.380 nan 0.000 0.486 508 L N 1.453 122.617 121.223 -0.099 0.000 2.499 508 L HA 0.022 4.371 4.340 0.015 0.000 0.273 508 L C 1.558 178.346 176.870 -0.136 0.000 1.195 508 L CA 0.799 55.550 54.840 -0.149 0.000 0.882 508 L CB 0.613 42.576 42.059 -0.160 0.000 1.133 508 L HN 0.199 nan 8.230 nan 0.000 0.483 509 T N 1.896 116.356 114.554 -0.157 0.000 2.978 509 T HA 0.376 4.735 4.350 0.015 0.000 0.248 509 T C 0.551 175.179 174.700 -0.121 0.000 1.018 509 T CA -0.004 62.026 62.100 -0.117 0.000 1.026 509 T CB 0.013 68.835 68.868 -0.078 0.000 1.032 509 T HN 0.303 nan 8.240 nan 0.000 0.485 510 I N 1.722 122.191 120.570 -0.167 0.000 2.499 510 I HA 0.591 4.770 4.170 0.015 0.000 0.288 510 I C -1.739 174.246 176.117 -0.220 0.000 1.048 510 I CA -1.308 59.898 61.300 -0.157 0.000 1.062 510 I CB 2.478 40.401 38.000 -0.128 0.000 1.238 510 I HN 0.057 nan 8.210 nan 0.000 0.426 511 L N 6.288 127.380 121.223 -0.218 0.000 2.406 511 L HA 0.521 4.870 4.340 0.015 0.000 0.270 511 L C -1.153 175.574 176.870 -0.238 0.000 0.982 511 L CA -0.060 54.598 54.840 -0.304 0.000 0.843 511 L CB 1.500 43.304 42.059 -0.424 0.000 1.225 511 L HN 0.429 nan 8.230 nan 0.000 0.412 512 D N 5.126 125.386 120.400 -0.233 0.000 2.392 512 D HA 0.321 4.969 4.640 0.015 0.000 0.228 512 D C -0.046 176.140 176.300 -0.190 0.000 1.074 512 D CA -0.062 53.830 54.000 -0.180 0.000 0.838 512 D CB 0.997 41.697 40.800 -0.167 0.000 1.067 512 D HN 0.653 nan 8.370 nan 0.000 0.511 513 L N 2.708 123.839 121.223 -0.153 0.000 3.066 513 L HA 0.149 4.498 4.340 0.015 0.000 0.265 513 L C 0.862 177.679 176.870 -0.089 0.000 1.232 513 L CA -0.380 54.386 54.840 -0.122 0.000 1.031 513 L CB 0.145 42.131 42.059 -0.122 0.000 1.379 513 L HN 0.259 nan 8.230 nan 0.000 0.563 514 S N -0.946 114.704 115.700 -0.084 0.000 2.585 514 S HA 0.181 4.660 4.470 0.015 0.000 0.273 514 S C 0.787 175.362 174.600 -0.041 0.000 1.339 514 S CA -0.352 57.827 58.200 -0.036 0.000 1.028 514 S CB 0.779 63.978 63.200 -0.002 0.000 0.906 514 S HN 0.510 nan 8.310 nan 0.000 0.528 515 N N 1.128 119.839 118.700 0.018 0.000 2.754 515 N HA -0.141 4.608 4.740 0.015 0.000 0.248 515 N C -0.597 174.896 175.510 -0.029 0.000 1.093 515 N CA 0.534 53.584 53.050 -0.000 0.000 0.699 515 N CB -1.276 37.176 38.487 -0.058 0.000 1.016 515 N HN 0.700 nan 8.380 nan 0.000 0.552 516 N N 0.769 119.454 118.700 -0.025 0.000 2.184 516 N HA 0.059 4.808 4.740 0.015 0.000 0.206 516 N C -0.034 175.462 175.510 -0.023 0.000 1.151 516 N CA -0.120 52.915 53.050 -0.025 0.000 0.878 516 N CB 0.190 38.662 38.487 -0.025 0.000 1.014 516 N HN 0.233 nan 8.380 nan 0.000 0.512 517 N N 1.014 119.698 118.700 -0.025 0.000 2.721 517 N HA -0.198 4.551 4.740 0.015 0.000 0.249 517 N C -0.446 175.030 175.510 -0.056 0.000 1.072 517 N CA 0.601 53.628 53.050 -0.038 0.000 0.710 517 N CB -1.553 36.917 38.487 -0.028 0.000 0.993 517 N HN 0.428 nan 8.380 nan 0.000 0.547 518 I N 0.275 120.803 120.570 -0.070 0.000 2.471 518 I HA 0.104 4.282 4.170 0.015 0.000 0.286 518 I C 1.484 177.534 176.117 -0.112 0.000 1.079 518 I CA 0.165 61.416 61.300 -0.082 0.000 1.398 518 I CB 1.152 39.097 38.000 -0.092 0.000 1.403 518 I HN 0.224 nan 8.210 nan 0.000 0.530 519 A N 5.272 128.035 122.820 -0.095 0.000 2.055 519 A HA 0.201 4.530 4.320 0.015 0.000 0.205 519 A C 0.551 178.081 177.584 -0.091 0.000 1.235 519 A CA 0.143 52.120 52.037 -0.098 0.000 0.822 519 A CB -0.113 18.844 19.000 -0.072 0.000 0.903 519 A HN 0.769 nan 8.150 nan 0.000 0.473 520 N N -0.193 118.460 118.700 -0.077 0.000 2.446 520 N HA 0.628 5.377 4.740 0.015 0.000 0.265 520 N C -1.309 174.156 175.510 -0.074 0.000 0.975 520 N CA -0.015 53.000 53.050 -0.059 0.000 0.928 520 N CB 1.800 40.266 38.487 -0.035 0.000 1.160 520 N HN 0.228 nan 8.380 nan 0.000 0.495 521 I N 1.443 121.961 120.570 -0.086 0.000 2.647 521 I HA 0.358 4.536 4.170 0.015 0.000 0.295 521 I C -0.703 175.415 176.117 0.002 0.000 1.078 521 I CA -1.007 60.233 61.300 -0.100 0.000 1.048 521 I CB 1.895 39.701 38.000 -0.323 0.000 1.239 521 I HN 0.434 nan 8.210 nan 0.000 0.421 522 N N 3.021 121.748 118.700 0.044 0.000 2.489 522 N HA 0.136 4.884 4.740 0.015 0.000 0.284 522 N C 0.236 175.844 175.510 0.163 0.000 1.158 522 N CA -0.462 52.643 53.050 0.093 0.000 0.965 522 N CB 1.103 39.633 38.487 0.072 0.000 1.195 522 N HN 0.595 nan 8.380 nan 0.000 0.506 523 D N -0.680 119.829 120.400 0.181 0.000 2.218 523 D HA -0.185 4.463 4.640 0.015 0.000 0.204 523 D C 0.387 176.811 176.300 0.206 0.000 0.976 523 D CA 1.064 55.205 54.000 0.235 0.000 0.853 523 D CB -0.289 40.641 40.800 0.217 0.000 0.939 523 D HN 0.624 nan 8.370 nan 0.000 0.481 524 D N -0.722 119.770 120.400 0.153 0.000 2.336 524 D HA 0.009 4.658 4.640 0.015 0.000 0.228 524 D C 1.816 178.200 176.300 0.141 0.000 1.120 524 D CA -0.238 53.842 54.000 0.133 0.000 0.839 524 D CB -0.421 40.437 40.800 0.097 0.000 0.932 524 D HN 0.242 nan 8.370 nan 0.000 0.509 525 M N -0.045 119.654 119.600 0.164 0.000 2.106 525 M HA -0.125 4.364 4.480 0.015 0.000 0.259 525 M C 0.722 177.162 176.300 0.233 0.000 1.068 525 M CA 1.627 57.042 55.300 0.191 0.000 1.100 525 M CB 0.101 32.804 32.600 0.171 0.000 1.351 525 M HN 0.131 nan 8.290 nan 0.000 0.404 526 L N -0.482 120.857 121.223 0.193 0.000 2.910 526 L HA 0.279 4.628 4.340 0.015 0.000 0.252 526 L C 0.344 177.290 176.870 0.125 0.000 1.195 526 L CA -0.482 54.450 54.840 0.152 0.000 1.003 526 L CB -0.093 42.044 42.059 0.130 0.000 1.328 526 L HN 0.237 nan 8.230 nan 0.000 0.540 527 E N 0.992 121.267 120.200 0.126 0.000 2.452 527 E HA 0.150 4.509 4.350 0.015 0.000 0.261 527 E C 1.258 177.908 176.600 0.082 0.000 0.987 527 E CA 0.940 57.400 56.400 0.099 0.000 0.926 527 E CB 0.518 30.272 29.700 0.091 0.000 0.934 527 E HN 0.347 nan 8.360 nan 0.000 0.452 528 G N 3.624 112.465 108.800 0.067 0.000 2.184 528 G HA2 -0.254 3.715 3.960 0.015 0.000 0.264 528 G HA3 -0.254 3.715 3.960 0.015 0.000 0.264 528 G C 0.156 175.082 174.900 0.044 0.000 0.975 528 G CA 0.305 45.437 45.100 0.053 0.000 0.642 528 G HN 0.452 nan 8.290 nan 0.000 0.536 529 L N 1.092 122.344 121.223 0.049 0.000 2.865 529 L HA 0.472 4.821 4.340 0.015 0.000 0.233 529 L C 1.443 178.327 176.870 0.024 0.000 1.320 529 L CA 0.055 54.911 54.840 0.026 0.000 1.225 529 L CB 0.591 42.661 42.059 0.019 0.000 1.542 529 L HN 0.191 nan 8.230 nan 0.000 0.432 530 E N -0.228 119.990 120.200 0.030 0.000 2.338 530 E HA -0.113 4.245 4.350 0.015 0.000 0.197 530 E C 1.381 177.989 176.600 0.013 0.000 1.007 530 E CA 0.843 57.276 56.400 0.055 0.000 0.849 530 E CB 0.080 29.818 29.700 0.062 0.000 0.774 530 E HN 0.366 nan 8.360 nan 0.000 0.506 531 K N -0.019 120.350 120.400 -0.052 0.000 2.404 531 K HA 0.079 4.408 4.320 0.015 0.000 0.194 531 K C 0.032 176.584 176.600 -0.079 0.000 1.023 531 K CA -0.296 55.922 56.287 -0.115 0.000 1.094 531 K CB 0.237 32.666 32.500 -0.119 0.000 0.841 531 K HN 0.053 nan 8.250 nan 0.000 0.523 532 L N 1.941 123.133 121.223 -0.051 0.000 2.462 532 L HA -0.050 4.298 4.340 0.015 0.000 0.272 532 L C 0.717 177.534 176.870 -0.088 0.000 1.166 532 L CA 1.014 55.813 54.840 -0.068 0.000 0.880 532 L CB 0.465 42.493 42.059 -0.052 0.000 1.142 532 L HN 0.102 nan 8.230 nan 0.000 0.473 533 E N 4.644 124.782 120.200 -0.105 0.000 2.399 533 E HA 0.273 4.632 4.350 0.015 0.000 0.205 533 E C -0.421 176.150 176.600 -0.049 0.000 0.906 533 E CA 0.238 56.547 56.400 -0.152 0.000 0.998 533 E CB 0.677 30.323 29.700 -0.090 0.000 1.002 533 E HN 0.518 nan 8.360 nan 0.000 0.501 534 I N 2.051 122.600 120.570 -0.034 0.000 2.478 534 I HA 0.280 4.458 4.170 0.015 0.000 0.287 534 I C -1.418 174.677 176.117 -0.037 0.000 1.042 534 I CA -0.964 60.330 61.300 -0.011 0.000 1.067 534 I CB 2.150 40.150 38.000 0.000 0.000 1.233 534 I HN -0.063 nan 8.210 nan 0.000 0.431 535 L N 6.489 127.707 121.223 -0.009 0.000 2.372 535 L HA 0.563 4.911 4.340 0.015 0.000 0.274 535 L C -1.384 175.490 176.870 0.007 0.000 0.988 535 L CA -0.106 54.724 54.840 -0.017 0.000 0.833 535 L CB 1.368 43.444 42.059 0.028 0.000 1.236 535 L HN 0.369 nan 8.230 nan 0.000 0.410 536 D N 6.352 126.735 120.400 -0.028 0.000 2.392 536 D HA 0.382 5.030 4.640 0.015 0.000 0.228 536 D C 0.393 176.680 176.300 -0.021 0.000 1.074 536 D CA 0.140 54.135 54.000 -0.008 0.000 0.838 536 D CB 2.060 42.848 40.800 -0.020 0.000 1.067 536 D HN 0.559 nan 8.370 nan 0.000 0.511 537 L N 1.745 122.976 121.223 0.013 0.000 3.229 537 L HA 0.041 4.390 4.340 0.015 0.000 0.286 537 L C 0.928 177.796 176.870 -0.003 0.000 1.239 537 L CA -0.389 54.444 54.840 -0.011 0.000 1.035 537 L CB 0.342 42.403 42.059 0.003 0.000 1.408 537 L HN 0.294 nan 8.230 nan 0.000 0.593 538 Q N -0.215 119.597 119.800 0.020 0.000 2.454 538 Q HA -0.028 4.321 4.340 0.015 0.000 0.247 538 Q C -0.232 175.785 176.000 0.029 0.000 1.028 538 Q CA 0.198 55.995 55.803 -0.009 0.000 0.910 538 Q CB 0.235 28.978 28.738 0.008 0.000 1.276 538 Q HN 0.283 nan 8.270 nan 0.000 0.489 539 H N 0.250 119.294 119.070 -0.043 0.000 2.756 539 H HA -0.128 4.437 4.556 0.015 0.000 0.315 539 H C -0.699 174.579 175.328 -0.083 0.000 1.210 539 H CA 0.890 56.904 56.048 -0.057 0.000 1.150 539 H CB -1.294 28.449 29.762 -0.031 0.000 1.463 539 H HN 0.627 nan 8.280 nan 0.000 0.427 540 N N 0.537 119.200 118.700 -0.062 0.000 3.100 540 N HA 0.267 5.015 4.740 0.015 0.000 0.344 540 N C 0.528 175.937 175.510 -0.168 0.000 1.413 540 N CA -0.682 52.306 53.050 -0.104 0.000 0.752 540 N CB 0.691 39.100 38.487 -0.130 0.000 1.519 540 N HN 0.169 nan 8.380 nan 0.000 0.620 541 N N 1.158 119.747 118.700 -0.185 0.000 2.696 541 N HA 0.277 5.026 4.740 0.015 0.000 0.308 541 N C 0.114 175.476 175.510 -0.246 0.000 1.915 541 N CA 0.119 53.047 53.050 -0.203 0.000 0.906 541 N CB 0.604 39.015 38.487 -0.127 0.000 1.284 541 N HN 0.339 nan 8.380 nan 0.000 0.488 542 L N -0.142 120.851 121.223 -0.384 0.000 2.592 542 L HA 0.237 4.586 4.340 0.015 0.000 0.227 542 L C 2.264 178.955 176.870 -0.299 0.000 1.127 542 L CA 0.050 54.685 54.840 -0.342 0.000 0.884 542 L CB -0.063 41.791 42.059 -0.341 0.000 1.065 542 L HN 0.174 nan 8.230 nan 0.000 0.457 543 A N 1.113 123.690 122.820 -0.405 0.000 1.896 543 A HA -0.307 4.022 4.320 0.015 0.000 0.220 543 A C 2.467 180.114 177.584 0.105 0.000 1.206 543 A CA 2.254 54.203 52.037 -0.146 0.000 0.647 543 A CB -0.609 18.313 19.000 -0.130 0.000 0.828 543 A HN 0.431 nan 8.150 nan 0.000 0.455 544 R N -0.272 120.243 120.500 0.025 0.000 2.105 544 R HA -0.117 4.232 4.340 0.015 0.000 0.239 544 R C 1.953 178.320 176.300 0.111 0.000 1.135 544 R CA 1.642 57.775 56.100 0.054 0.000 0.967 544 R CB -0.461 29.844 30.300 0.008 0.000 0.861 544 R HN 0.596 nan 8.270 nan 0.000 0.442 545 L N -1.079 120.217 121.223 0.122 0.000 2.265 545 L HA -0.175 4.174 4.340 0.015 0.000 0.215 545 L C 1.339 178.430 176.870 0.369 0.000 1.117 545 L CA 0.811 55.760 54.840 0.182 0.000 0.782 545 L CB -0.333 41.817 42.059 0.152 0.000 0.914 545 L HN 0.335 nan 8.230 nan 0.000 0.441 546 W N 0.351 121.714 121.300 0.105 0.000 3.127 546 W HA 0.197 4.866 4.660 0.015 0.000 0.344 546 W C 0.715 177.229 176.519 -0.008 0.000 1.151 546 W CA -1.153 56.180 57.345 -0.020 0.000 1.765 546 W CB -0.055 29.383 29.460 -0.037 0.000 1.085 546 W HN -0.095 nan 8.180 nan 0.000 0.596 547 K N 1.143 121.676 120.400 0.221 0.000 2.270 547 K HA 0.016 4.344 4.320 0.015 0.000 0.276 547 K C 1.517 178.145 176.600 0.046 0.000 1.023 547 K CA -0.210 56.141 56.287 0.107 0.000 0.955 547 K CB 0.715 33.235 32.500 0.034 0.000 0.975 547 K HN 0.103 nan 8.250 nan 0.000 0.471 548 H N 1.131 120.210 119.070 0.014 0.000 2.491 548 H HA -0.029 4.536 4.556 0.015 0.000 0.290 548 H C 1.135 176.469 175.328 0.010 0.000 1.050 548 H CA 1.214 57.259 56.048 -0.005 0.000 1.309 548 H CB 0.051 29.803 29.762 -0.017 0.000 1.392 548 H HN 0.639 nan 8.280 nan 0.000 0.554 549 A N 1.156 123.745 122.820 -0.385 0.000 2.206 549 A HA -0.098 4.231 4.320 0.015 0.000 0.211 549 A C 1.078 178.609 177.584 -0.089 0.000 1.158 549 A CA 0.154 52.050 52.037 -0.236 0.000 0.761 549 A CB -0.746 18.087 19.000 -0.278 0.000 0.801 549 A HN 0.433 nan 8.150 nan 0.000 0.473 550 N N 1.323 119.997 118.700 -0.043 0.000 2.359 550 N HA 0.088 4.837 4.740 0.015 0.000 0.261 550 N C -2.864 172.648 175.510 0.003 0.000 1.267 550 N CA -1.083 51.966 53.050 -0.001 0.000 0.864 550 N CB 0.215 38.722 38.487 0.034 0.000 1.063 550 N HN 0.046 nan 8.380 nan 0.000 0.474 551 P HA 0.104 nan 4.420 nan 0.000 0.264 551 P C 0.647 177.961 177.300 0.023 0.000 1.193 551 P CA 0.662 63.768 63.100 0.010 0.000 0.763 551 P CB 0.498 32.202 31.700 0.007 0.000 0.810 552 G N 2.112 110.929 108.800 0.029 0.000 2.199 552 G HA2 0.030 3.999 3.960 0.015 0.000 0.254 552 G HA3 0.030 3.999 3.960 0.015 0.000 0.254 552 G C 0.518 175.450 174.900 0.054 0.000 0.982 552 G CA 0.178 45.303 45.100 0.041 0.000 0.632 552 G HN 1.055 nan 8.290 nan 0.000 0.529 553 G N -0.914 107.915 108.800 0.048 0.000 2.746 553 G HA2 0.286 4.254 3.960 0.015 0.000 0.685 553 G HA3 0.286 4.254 3.960 0.015 0.000 0.685 553 G C -2.005 172.913 174.900 0.030 0.000 1.350 553 G CA 0.056 45.190 45.100 0.056 0.000 0.837 553 G HN 0.907 nan 8.290 nan 0.000 0.564 554 P HA 0.411 nan 4.420 nan 0.000 0.270 554 P C 0.182 177.336 177.300 -0.243 0.000 1.223 554 P CA -0.375 62.634 63.100 -0.151 0.000 0.785 554 P CB 0.434 31.903 31.700 -0.384 0.000 0.923 555 I N 2.259 122.786 120.570 -0.071 0.000 2.307 555 I HA 0.130 4.309 4.170 0.015 0.000 0.289 555 I C -0.049 176.050 176.117 -0.031 0.000 1.021 555 I CA -0.564 60.779 61.300 0.070 0.000 1.224 555 I CB 0.001 38.169 38.000 0.281 0.000 1.376 555 I HN 0.349 nan 8.210 nan 0.000 0.470 556 Y N 6.465 126.830 120.300 0.109 0.000 2.735 556 Y HA 0.069 4.628 4.550 0.015 0.000 0.354 556 Y C 1.291 177.205 175.900 0.024 0.000 1.288 556 Y CA -0.609 57.461 58.100 -0.050 0.000 1.836 556 Y CB -0.598 37.803 38.460 -0.098 0.000 1.920 556 Y HN 0.494 nan 8.280 nan 0.000 0.438 557 F N -2.203 117.895 119.950 0.247 0.000 2.802 557 F HA 0.139 4.675 4.527 0.015 0.000 0.300 557 F C 0.503 176.413 175.800 0.183 0.000 1.168 557 F CA 0.415 58.531 58.000 0.192 0.000 1.433 557 F CB -0.592 38.500 39.000 0.153 0.000 1.115 557 F HN 0.119 nan 8.300 nan 0.000 0.582 558 L N 1.597 122.812 121.223 -0.012 0.000 2.700 558 L HA 0.175 4.524 4.340 0.015 0.000 0.234 558 L C 0.831 177.743 176.870 0.070 0.000 1.156 558 L CA -0.433 54.456 54.840 0.081 0.000 0.946 558 L CB -0.525 41.568 42.059 0.057 0.000 1.216 558 L HN 0.092 nan 8.230 nan 0.000 0.493 559 K N 0.453 120.899 120.400 0.077 0.000 2.382 559 K HA 0.306 4.635 4.320 0.015 0.000 0.275 559 K C 1.016 177.656 176.600 0.066 0.000 1.009 559 K CA 0.477 56.794 56.287 0.050 0.000 0.970 559 K CB 0.582 33.113 32.500 0.052 0.000 0.934 559 K HN 0.102 nan 8.250 nan 0.000 0.479 560 G N 2.326 111.157 108.800 0.051 0.000 2.184 560 G HA2 -0.273 3.695 3.960 0.015 0.000 0.264 560 G HA3 -0.273 3.695 3.960 0.015 0.000 0.264 560 G C 0.131 175.081 174.900 0.083 0.000 0.975 560 G CA 0.335 45.477 45.100 0.071 0.000 0.642 560 G HN 0.576 nan 8.290 nan 0.000 0.536 561 L N 2.559 123.827 121.223 0.074 0.000 2.480 561 L HA 0.293 4.642 4.340 0.015 0.000 0.243 561 L C 1.997 178.908 176.870 0.069 0.000 1.315 561 L CA 0.281 55.166 54.840 0.075 0.000 1.231 561 L CB 0.321 42.425 42.059 0.074 0.000 1.444 561 L HN 0.341 nan 8.230 nan 0.000 0.409 562 S N -1.718 114.045 115.700 0.104 0.000 2.481 562 S HA -0.099 4.380 4.470 0.015 0.000 0.231 562 S C 1.383 175.941 174.600 -0.071 0.000 0.996 562 S CA 0.533 58.783 58.200 0.083 0.000 0.942 562 S CB -0.201 63.081 63.200 0.135 0.000 0.768 562 S HN 0.567 nan 8.310 nan 0.000 0.520 563 H N 0.046 119.099 119.070 -0.028 0.000 2.520 563 H HA 0.364 4.929 4.556 0.015 0.000 0.284 563 H C -0.144 174.935 175.328 -0.416 0.000 1.037 563 H CA -0.488 55.462 56.048 -0.163 0.000 1.168 563 H CB 0.152 29.826 29.762 -0.146 0.000 1.497 563 H HN 0.292 nan 8.280 nan 0.000 0.547 564 L N 1.485 122.633 121.223 -0.125 0.000 2.513 564 L HA -0.033 4.316 4.340 0.015 0.000 0.272 564 L C 0.833 177.663 176.870 -0.067 0.000 1.187 564 L CA 0.772 55.542 54.840 -0.117 0.000 0.895 564 L CB 0.310 42.370 42.059 0.002 0.000 1.147 564 L HN 0.219 nan 8.230 nan 0.000 0.483 565 H N 4.412 123.503 119.070 0.036 0.000 2.545 565 H HA 0.379 4.944 4.556 0.015 0.000 0.283 565 H C -0.326 175.005 175.328 0.004 0.000 0.997 565 H CA -0.190 55.869 56.048 0.017 0.000 1.269 565 H CB 0.718 30.495 29.762 0.024 0.000 1.451 565 H HN 0.395 nan 8.280 nan 0.000 0.508 566 I N 1.977 122.623 120.570 0.128 0.000 2.466 566 I HA 0.189 4.368 4.170 0.015 0.000 0.289 566 I C -1.601 174.551 176.117 0.058 0.000 1.026 566 I CA -0.920 60.425 61.300 0.075 0.000 1.078 566 I CB 3.020 41.062 38.000 0.068 0.000 1.249 566 I HN -0.015 nan 8.210 nan 0.000 0.429 567 L N 7.210 128.464 121.223 0.052 0.000 2.372 567 L HA 0.520 4.869 4.340 0.015 0.000 0.273 567 L C -0.961 175.959 176.870 0.084 0.000 0.989 567 L CA -0.172 54.713 54.840 0.075 0.000 0.841 567 L CB 1.290 43.399 42.059 0.083 0.000 1.225 567 L HN 0.457 nan 8.230 nan 0.000 0.414 568 N N 5.311 124.066 118.700 0.091 0.000 2.485 568 N HA 0.343 5.091 4.740 0.015 0.000 0.243 568 N C -0.364 175.222 175.510 0.127 0.000 0.987 568 N CA -0.142 52.965 53.050 0.095 0.000 0.940 568 N CB 0.899 39.428 38.487 0.070 0.000 1.122 568 N HN 0.784 nan 8.380 nan 0.000 0.509 569 L N 2.013 123.341 121.223 0.174 0.000 3.066 569 L HA 0.307 4.656 4.340 0.015 0.000 0.265 569 L C 0.579 177.575 176.870 0.209 0.000 1.232 569 L CA -0.207 54.787 54.840 0.256 0.000 1.031 569 L CB 0.121 42.423 42.059 0.403 0.000 1.379 569 L HN 0.364 nan 8.230 nan 0.000 0.563 570 E N 0.308 120.561 120.200 0.089 0.000 2.418 570 E HA 0.052 4.411 4.350 0.015 0.000 0.261 570 E C 0.408 176.919 176.600 -0.148 0.000 1.070 570 E CA 0.132 56.533 56.400 0.001 0.000 0.931 570 E CB 0.405 30.080 29.700 -0.042 0.000 0.954 570 E HN 0.162 nan 8.360 nan 0.000 0.439 571 S N 2.051 117.645 115.700 -0.177 0.000 3.697 571 S HA -0.158 4.321 4.470 0.015 0.000 0.388 571 S C 0.097 174.528 174.600 -0.281 0.000 0.941 571 S CA 0.276 58.301 58.200 -0.291 0.000 1.247 571 S CB -1.097 61.693 63.200 -0.683 0.000 0.904 571 S HN 0.596 nan 8.310 nan 0.000 0.518 572 N N -0.279 118.232 118.700 -0.315 0.000 2.170 572 N HA 0.256 5.004 4.740 0.015 0.000 0.222 572 N C 1.249 176.422 175.510 -0.560 0.000 1.218 572 N CA 0.657 53.384 53.050 -0.537 0.000 0.889 572 N CB 0.977 38.859 38.487 -1.009 0.000 1.083 572 N HN 0.880 nan 8.380 nan 0.000 0.520 573 G N 1.272 109.889 108.800 -0.304 0.000 2.155 573 G HA2 -0.294 3.675 3.960 0.015 0.000 0.257 573 G HA3 -0.294 3.675 3.960 0.015 0.000 0.257 573 G C -0.034 174.806 174.900 -0.100 0.000 0.983 573 G CA -0.164 44.830 45.100 -0.177 0.000 0.676 573 G HN 0.234 nan 8.290 nan 0.000 0.528 574 F N 1.647 121.622 119.950 0.041 0.000 2.612 574 F HA 0.342 4.878 4.527 0.015 0.000 0.389 574 F C 1.270 177.133 175.800 0.105 0.000 1.055 574 F CA 0.273 58.334 58.000 0.101 0.000 1.232 574 F CB 0.668 39.778 39.000 0.183 0.000 1.044 574 F HN 0.269 nan 8.300 nan 0.000 0.560 575 D N 0.435 121.017 120.400 0.304 0.000 2.599 575 D HA 0.200 4.848 4.640 0.015 0.000 0.249 575 D C -0.394 176.020 176.300 0.189 0.000 1.313 575 D CA -0.177 53.948 54.000 0.207 0.000 0.815 575 D CB -0.164 40.716 40.800 0.133 0.000 1.077 575 D HN 0.585 nan 8.370 nan 0.000 0.492 576 E N -0.106 120.231 120.200 0.229 0.000 2.380 576 E HA 0.440 4.799 4.350 0.015 0.000 0.281 576 E C -1.136 175.521 176.600 0.096 0.000 0.999 576 E CA -0.661 55.824 56.400 0.142 0.000 0.800 576 E CB 2.302 32.095 29.700 0.156 0.000 1.228 576 E HN 0.009 nan 8.360 nan 0.000 0.436 577 I N 2.639 123.153 120.570 -0.093 0.000 2.468 577 I HA 0.319 4.498 4.170 0.015 0.000 0.285 577 I C -2.493 173.330 176.117 -0.491 0.000 1.039 577 I CA -2.269 58.798 61.300 -0.388 0.000 1.074 577 I CB 1.820 39.590 38.000 -0.384 0.000 1.228 577 I HN 0.152 nan 8.210 nan 0.000 0.436 578 P HA -0.010 nan 4.420 nan 0.000 0.268 578 P C 0.843 177.847 177.300 -0.494 0.000 1.205 578 P CA -0.065 62.744 63.100 -0.485 0.000 0.771 578 P CB 1.180 32.544 31.700 -0.561 0.000 0.858 579 V N 2.650 122.372 119.914 -0.321 0.000 2.594 579 V HA -0.174 3.955 4.120 0.015 0.000 0.253 579 V C 1.310 177.199 176.094 -0.342 0.000 1.069 579 V CA 1.947 64.051 62.300 -0.326 0.000 1.082 579 V CB -0.671 31.014 31.823 -0.231 0.000 0.680 579 V HN 0.469 nan 8.190 nan 0.000 0.469 580 E N 0.018 120.052 120.200 -0.276 0.000 2.463 580 E HA 0.060 4.419 4.350 0.015 0.000 0.193 580 E C 1.915 178.321 176.600 -0.324 0.000 1.041 580 E CA 0.951 57.177 56.400 -0.290 0.000 0.879 580 E CB 0.455 29.940 29.700 -0.358 0.000 0.997 580 E HN 0.724 nan 8.360 nan 0.000 0.478 581 V N -2.011 117.562 119.914 -0.568 0.000 2.626 581 V HA -0.112 4.017 4.120 0.015 0.000 0.252 581 V C 1.377 177.031 176.094 -0.733 0.000 1.067 581 V CA 1.201 63.022 62.300 -0.799 0.000 1.081 581 V CB -0.834 29.955 31.823 -1.723 0.000 0.686 581 V HN 0.012 nan 8.190 nan 0.000 0.468 582 F N 1.416 121.192 119.950 -0.291 0.000 2.639 582 F HA 0.378 4.914 4.527 0.015 0.000 0.300 582 F C 1.895 177.539 175.800 -0.259 0.000 1.109 582 F CA -0.501 57.372 58.000 -0.213 0.000 1.335 582 F CB -0.504 38.413 39.000 -0.138 0.000 1.014 582 F HN 0.233 nan 8.300 nan 0.000 0.537 583 K N -0.311 119.984 120.400 -0.176 0.000 2.283 583 K HA -0.113 4.216 4.320 0.015 0.000 0.202 583 K C 0.500 176.847 176.600 -0.422 0.000 1.048 583 K CA 1.817 57.952 56.287 -0.253 0.000 0.948 583 K CB -0.130 32.238 32.500 -0.219 0.000 0.742 583 K HN 0.015 nan 8.250 nan 0.000 0.458 584 D N 0.779 120.991 120.400 -0.313 0.000 2.349 584 D HA 0.078 4.727 4.640 0.015 0.000 0.214 584 D C 0.103 176.176 176.300 -0.379 0.000 1.063 584 D CA 0.282 54.092 54.000 -0.316 0.000 0.847 584 D CB 0.294 41.062 40.800 -0.055 0.000 0.933 584 D HN 0.246 nan 8.370 nan 0.000 0.513 585 L N 0.999 121.999 121.223 -0.371 0.000 2.648 585 L HA 0.262 4.611 4.340 0.015 0.000 0.238 585 L C 0.718 177.477 176.870 -0.186 0.000 1.316 585 L CA -0.411 54.328 54.840 -0.168 0.000 1.241 585 L CB -0.486 41.562 42.059 -0.018 0.000 1.499 585 L HN -0.193 nan 8.230 nan 0.000 0.411 586 F N 0.040 119.995 119.950 0.008 0.000 2.293 586 F HA -0.101 4.434 4.527 0.015 0.000 0.300 586 F C 2.105 177.900 175.800 -0.008 0.000 1.086 586 F CA 1.002 58.998 58.000 -0.005 0.000 1.375 586 F CB -0.080 38.904 39.000 -0.026 0.000 1.045 586 F HN 0.363 nan 8.300 nan 0.000 0.516 587 E N 0.051 120.342 120.200 0.152 0.000 2.479 587 E HA 0.028 4.387 4.350 0.015 0.000 0.193 587 E C 0.248 176.954 176.600 0.178 0.000 1.049 587 E CA -0.281 56.209 56.400 0.149 0.000 0.870 587 E CB 0.117 29.919 29.700 0.170 0.000 0.944 587 E HN 0.113 nan 8.360 nan 0.000 0.492 588 L N 1.955 123.234 121.223 0.094 0.000 2.559 588 L HA -0.086 4.263 4.340 0.015 0.000 0.274 588 L C 0.904 177.788 176.870 0.023 0.000 1.205 588 L CA 0.926 55.802 54.840 0.060 0.000 0.907 588 L CB 0.438 42.486 42.059 -0.018 0.000 1.153 588 L HN -0.137 nan 8.230 nan 0.000 0.490 589 K N 5.041 125.457 120.400 0.027 0.000 2.329 589 K HA 0.329 4.658 4.320 0.015 0.000 0.198 589 K C -0.227 176.343 176.600 -0.050 0.000 1.085 589 K CA 0.439 56.706 56.287 -0.033 0.000 0.961 589 K CB 0.570 33.035 32.500 -0.058 0.000 0.971 589 K HN 0.470 nan 8.250 nan 0.000 0.502 590 I N 1.713 122.268 120.570 -0.025 0.000 2.478 590 I HA 0.350 4.529 4.170 0.015 0.000 0.287 590 I C -1.113 174.985 176.117 -0.031 0.000 1.042 590 I CA -0.687 60.597 61.300 -0.027 0.000 1.067 590 I CB 2.315 40.316 38.000 0.002 0.000 1.233 590 I HN -0.028 nan 8.210 nan 0.000 0.431 591 I N 5.528 126.063 120.570 -0.059 0.000 2.465 591 I HA 0.398 4.577 4.170 0.015 0.000 0.291 591 I C -1.304 174.815 176.117 0.003 0.000 1.014 591 I CA -0.398 60.866 61.300 -0.059 0.000 1.093 591 I CB 1.634 39.526 38.000 -0.180 0.000 1.267 591 I HN 0.504 nan 8.210 nan 0.000 0.431 592 D N 8.833 129.263 120.400 0.050 0.000 2.461 592 D HA 0.291 4.939 4.640 0.015 0.000 0.240 592 D C 0.340 176.719 176.300 0.132 0.000 1.094 592 D CA -0.031 54.020 54.000 0.085 0.000 0.868 592 D CB 2.079 42.927 40.800 0.079 0.000 1.062 592 D HN 0.509 nan 8.370 nan 0.000 0.530 593 L N 1.103 122.421 121.223 0.159 0.000 2.808 593 L HA 0.239 4.588 4.340 0.015 0.000 0.246 593 L C 1.423 178.414 176.870 0.201 0.000 1.153 593 L CA -0.237 54.740 54.840 0.229 0.000 0.956 593 L CB 0.741 42.968 42.059 0.280 0.000 1.270 593 L HN 0.285 nan 8.230 nan 0.000 0.528 594 G N -0.403 108.483 108.800 0.144 0.000 2.690 594 G HA2 0.196 4.164 3.960 0.015 0.000 0.239 594 G HA3 0.196 4.164 3.960 0.015 0.000 0.239 594 G C 0.498 175.448 174.900 0.083 0.000 1.233 594 G CA -0.399 44.767 45.100 0.111 0.000 0.847 594 G HN 0.250 nan 8.290 nan 0.000 0.588 595 L N -0.265 120.994 121.223 0.060 0.000 3.678 595 L HA -0.183 4.166 4.340 0.015 0.000 0.425 595 L C 0.588 177.470 176.870 0.019 0.000 1.240 595 L CA 0.688 55.539 54.840 0.019 0.000 0.876 595 L CB -2.225 39.821 42.059 -0.022 0.000 1.766 595 L HN 0.598 nan 8.230 nan 0.000 0.917 596 N N -0.132 118.615 118.700 0.077 0.000 2.989 596 N HA 0.462 5.210 4.740 0.015 0.000 0.338 596 N C 0.430 175.996 175.510 0.094 0.000 1.369 596 N CA -0.707 52.406 53.050 0.105 0.000 0.794 596 N CB 0.641 39.275 38.487 0.245 0.000 1.359 596 N HN 0.128 nan 8.380 nan 0.000 0.609 597 N N 0.614 119.383 118.700 0.116 0.000 2.535 597 N HA 0.289 5.038 4.740 0.015 0.000 0.294 597 N C -0.683 174.902 175.510 0.125 0.000 1.408 597 N CA -0.034 53.072 53.050 0.093 0.000 0.927 597 N CB 0.516 39.043 38.487 0.067 0.000 1.276 597 N HN 0.329 nan 8.380 nan 0.000 0.505 598 L N 0.260 121.578 121.223 0.158 0.000 2.371 598 L HA 0.252 4.601 4.340 0.015 0.000 0.272 598 L C 1.314 178.268 176.870 0.139 0.000 1.124 598 L CA -0.135 54.807 54.840 0.170 0.000 0.816 598 L CB 0.771 42.961 42.059 0.218 0.000 1.129 598 L HN 0.086 nan 8.230 nan 0.000 0.448 599 N N -0.052 118.726 118.700 0.131 0.000 3.411 599 N HA 0.046 4.794 4.740 0.015 0.000 0.236 599 N C -0.050 175.547 175.510 0.146 0.000 1.053 599 N CA 0.165 53.292 53.050 0.127 0.000 1.133 599 N CB 0.640 39.182 38.487 0.092 0.000 1.460 599 N HN 0.495 nan 8.380 nan 0.000 0.724 600 T N 2.176 116.793 114.554 0.106 0.000 2.814 600 T HA 0.439 4.798 4.350 0.015 0.000 0.297 600 T C -0.336 174.392 174.700 0.047 0.000 0.956 600 T CA -0.041 62.107 62.100 0.081 0.000 1.123 600 T CB 0.260 69.159 68.868 0.051 0.000 0.902 600 T HN 0.099 nan 8.240 nan 0.000 0.528 601 L N 6.187 127.422 121.223 0.020 0.000 2.346 601 L HA 0.494 4.843 4.340 0.015 0.000 0.276 601 L C -1.962 174.822 176.870 -0.143 0.000 1.006 601 L CA -2.374 52.410 54.840 -0.092 0.000 0.817 601 L CB 2.113 44.085 42.059 -0.146 0.000 1.272 601 L HN 0.409 nan 8.230 nan 0.000 0.421 602 P HA 0.196 nan 4.420 nan 0.000 0.278 602 P C -0.636 176.540 177.300 -0.208 0.000 1.238 602 P CA -0.465 62.526 63.100 -0.182 0.000 0.794 602 P CB 1.177 32.757 31.700 -0.200 0.000 0.955 603 A N 2.268 125.000 122.820 -0.146 0.000 2.567 603 A HA 0.259 4.588 4.320 0.015 0.000 0.240 603 A C 1.125 178.618 177.584 -0.152 0.000 1.053 603 A CA 1.035 52.995 52.037 -0.129 0.000 0.755 603 A CB -1.011 17.941 19.000 -0.080 0.000 0.978 603 A HN 0.606 nan 8.150 nan 0.000 0.507 604 S N 0.001 115.612 115.700 -0.149 0.000 2.541 604 S HA -0.201 4.278 4.470 0.015 0.000 0.262 604 S C 1.138 175.630 174.600 -0.181 0.000 1.321 604 S CA 0.770 58.894 58.200 -0.127 0.000 1.243 604 S CB -2.166 60.970 63.200 -0.108 0.000 1.531 604 S HN 1.567 nan 8.310 nan 0.000 0.656 605 V N 0.477 120.206 119.914 -0.309 0.000 2.392 605 V HA -0.072 4.057 4.120 0.015 0.000 0.249 605 V C 1.185 177.052 176.094 -0.378 0.000 1.059 605 V CA 2.398 64.425 62.300 -0.455 0.000 1.051 605 V CB -0.359 31.050 31.823 -0.690 0.000 0.658 605 V HN 0.679 nan 8.190 nan 0.000 0.455 606 F N -0.437 119.472 119.950 -0.068 0.000 2.641 606 F HA 0.270 4.806 4.527 0.015 0.000 0.302 606 F C 1.876 177.644 175.800 -0.053 0.000 1.098 606 F CA -0.028 57.939 58.000 -0.055 0.000 1.318 606 F CB -0.293 38.644 39.000 -0.106 0.000 1.035 606 F HN 0.143 nan 8.300 nan 0.000 0.551 607 N N 0.807 119.544 118.700 0.062 0.000 2.289 607 N HA -0.155 4.593 4.740 0.015 0.000 0.184 607 N C 0.924 176.468 175.510 0.057 0.000 1.016 607 N CA 0.795 53.872 53.050 0.045 0.000 0.872 607 N CB -0.075 38.414 38.487 0.004 0.000 0.973 607 N HN 0.276 nan 8.380 nan 0.000 0.433 608 N N 0.718 119.429 118.700 0.018 0.000 2.280 608 N HA 0.013 4.762 4.740 0.015 0.000 0.192 608 N C -0.256 175.250 175.510 -0.007 0.000 1.109 608 N CA 0.279 53.321 53.050 -0.013 0.000 0.855 608 N CB 0.336 38.632 38.487 -0.318 0.000 0.974 608 N HN 0.124 nan 8.380 nan 0.000 0.482 609 Q N 1.137 120.963 119.800 0.043 0.000 3.223 609 Q HA 0.058 4.407 4.340 0.015 0.000 0.299 609 Q C 1.394 177.422 176.000 0.046 0.000 1.385 609 Q CA -0.077 55.746 55.803 0.033 0.000 0.942 609 Q CB -0.405 28.358 28.738 0.042 0.000 1.748 609 Q HN 0.241 nan 8.270 nan 0.000 0.523 610 V N -2.823 117.147 119.914 0.094 0.000 3.217 610 V HA -0.012 4.117 4.120 0.015 0.000 0.264 610 V C 1.210 177.328 176.094 0.040 0.000 1.135 610 V CA 1.054 63.404 62.300 0.083 0.000 1.142 610 V CB 0.043 31.941 31.823 0.124 0.000 0.754 610 V HN 0.230 nan 8.190 nan 0.000 0.484 611 S N 0.326 116.045 115.700 0.031 0.000 2.539 611 S HA 0.420 4.899 4.470 0.015 0.000 0.221 611 S C 0.357 174.931 174.600 -0.045 0.000 0.987 611 S CA -0.384 57.813 58.200 -0.004 0.000 0.929 611 S CB 0.122 63.331 63.200 0.014 0.000 0.832 611 S HN 0.466 nan 8.310 nan 0.000 0.492 612 L N 2.947 124.137 121.223 -0.055 0.000 2.477 612 L HA 0.193 4.542 4.340 0.015 0.000 0.272 612 L C 0.883 177.672 176.870 -0.136 0.000 1.157 612 L CA 0.556 55.339 54.840 -0.096 0.000 0.889 612 L CB 0.447 42.433 42.059 -0.122 0.000 1.158 612 L HN -0.172 nan 8.230 nan 0.000 0.473 613 K N 1.798 122.111 120.400 -0.144 0.000 2.329 613 K HA 0.304 4.632 4.320 0.015 0.000 0.198 613 K C -0.025 176.453 176.600 -0.204 0.000 1.085 613 K CA 0.348 56.521 56.287 -0.189 0.000 0.961 613 K CB 0.303 32.714 32.500 -0.149 0.000 0.971 613 K HN 0.569 nan 8.250 nan 0.000 0.502 614 S N 1.408 117.028 115.700 -0.134 0.000 2.561 614 S HA 0.442 4.921 4.470 0.015 0.000 0.303 614 S C -1.185 173.373 174.600 -0.070 0.000 1.110 614 S CA -0.769 57.378 58.200 -0.087 0.000 1.034 614 S CB 1.728 64.910 63.200 -0.031 0.000 1.010 614 S HN 0.084 nan 8.310 nan 0.000 0.482 615 L N 4.207 125.408 121.223 -0.038 0.000 2.319 615 L HA 0.580 4.929 4.340 0.015 0.000 0.281 615 L C -1.278 175.640 176.870 0.081 0.000 1.005 615 L CA -0.324 54.505 54.840 -0.018 0.000 0.828 615 L CB 0.786 42.843 42.059 -0.004 0.000 1.227 615 L HN 0.510 nan 8.230 nan 0.000 0.415 616 N N 6.654 125.401 118.700 0.078 0.000 2.479 616 N HA 0.404 5.153 4.740 0.015 0.000 0.261 616 N C -0.395 175.201 175.510 0.144 0.000 0.979 616 N CA -0.192 52.927 53.050 0.116 0.000 0.930 616 N CB 2.184 40.727 38.487 0.094 0.000 1.172 616 N HN 0.655 nan 8.380 nan 0.000 0.499 617 L N 1.307 122.633 121.223 0.171 0.000 3.366 617 L HA 0.087 4.435 4.340 0.015 0.000 0.304 617 L C 0.716 177.658 176.870 0.118 0.000 1.292 617 L CA -0.371 54.585 54.840 0.194 0.000 1.012 617 L CB 0.359 42.599 42.059 0.302 0.000 1.414 617 L HN 0.430 nan 8.230 nan 0.000 0.603 618 Q N 1.641 121.482 119.800 0.069 0.000 2.386 618 Q HA -0.034 4.315 4.340 0.015 0.000 0.282 618 Q C -0.228 175.811 176.000 0.064 0.000 1.050 618 Q CA 0.339 56.153 55.803 0.019 0.000 0.918 618 Q CB 0.396 29.158 28.738 0.040 0.000 1.266 618 Q HN 0.272 nan 8.270 nan 0.000 0.423 619 K N 0.949 121.390 120.400 0.068 0.000 3.125 619 K HA -0.164 4.165 4.320 0.015 0.000 0.268 619 K C -0.298 176.319 176.600 0.028 0.000 1.078 619 K CA 0.643 56.967 56.287 0.061 0.000 0.775 619 K CB -1.257 31.275 32.500 0.053 0.000 1.253 619 K HN 0.709 nan 8.250 nan 0.000 0.486 620 N N 0.181 118.891 118.700 0.017 0.000 2.752 620 N HA 0.406 5.155 4.740 0.015 0.000 0.316 620 N C 0.622 176.130 175.510 -0.004 0.000 1.343 620 N CA -0.500 52.573 53.050 0.037 0.000 0.875 620 N CB 0.451 38.994 38.487 0.093 0.000 1.120 620 N HN 0.020 nan 8.380 nan 0.000 0.562 621 L N 1.403 122.638 121.223 0.021 0.000 3.094 621 L HA 0.438 4.787 4.340 0.015 0.000 0.254 621 L C -0.139 176.730 176.870 -0.002 0.000 1.298 621 L CA -0.097 54.742 54.840 -0.002 0.000 1.050 621 L CB -0.127 41.947 42.059 0.026 0.000 1.420 621 L HN 0.244 nan 8.230 nan 0.000 0.548 622 I N 0.650 121.201 120.570 -0.032 0.000 2.452 622 I HA -0.025 4.154 4.170 0.015 0.000 0.287 622 I C 1.600 177.699 176.117 -0.029 0.000 1.079 622 I CA 0.248 61.563 61.300 0.024 0.000 1.387 622 I CB 1.312 39.372 38.000 0.100 0.000 1.404 622 I HN 0.272 nan 8.210 nan 0.000 0.522 623 T N 0.259 114.857 114.554 0.073 0.000 3.015 623 T HA 0.108 4.467 4.350 0.015 0.000 0.250 623 T C 0.626 175.445 174.700 0.198 0.000 1.057 623 T CA 0.148 62.313 62.100 0.108 0.000 1.066 623 T CB 0.189 69.108 68.868 0.084 0.000 0.959 623 T HN 0.593 nan 8.240 nan 0.000 0.488 624 S N 0.009 115.832 115.700 0.204 0.000 2.627 624 S HA 0.692 5.170 4.470 0.015 0.000 0.283 624 S C -1.332 173.384 174.600 0.194 0.000 1.127 624 S CA -0.733 57.582 58.200 0.193 0.000 0.863 624 S CB 2.323 65.612 63.200 0.150 0.000 1.121 624 S HN 0.217 nan 8.310 nan 0.000 0.479 625 V N 2.178 122.160 119.914 0.113 0.000 2.670 625 V HA 0.385 4.514 4.120 0.015 0.000 0.258 625 V C -0.510 175.631 176.094 0.079 0.000 0.906 625 V CA -0.517 61.747 62.300 -0.060 0.000 0.887 625 V CB 0.535 32.214 31.823 -0.241 0.000 1.059 625 V HN 0.903 nan 8.190 nan 0.000 0.484 626 E N 2.217 122.564 120.200 0.245 0.000 2.313 626 E HA 0.365 4.724 4.350 0.015 0.000 0.272 626 E C 0.265 176.965 176.600 0.167 0.000 1.038 626 E CA -0.611 55.891 56.400 0.169 0.000 0.863 626 E CB 1.693 31.472 29.700 0.132 0.000 1.060 626 E HN 0.220 nan 8.360 nan 0.000 0.402 627 K N 2.025 122.473 120.400 0.080 0.000 2.097 627 K HA -0.170 4.159 4.320 0.015 0.000 0.206 627 K C 1.797 178.418 176.600 0.034 0.000 1.049 627 K CA 1.306 57.621 56.287 0.047 0.000 0.933 627 K CB -0.220 32.302 32.500 0.036 0.000 0.717 627 K HN 0.501 nan 8.250 nan 0.000 0.442 628 K N 0.514 120.930 120.400 0.028 0.000 2.362 628 K HA -0.098 4.231 4.320 0.015 0.000 0.202 628 K C 1.725 178.299 176.600 -0.042 0.000 1.045 628 K CA 1.322 57.606 56.287 -0.004 0.000 0.936 628 K CB -0.127 32.369 32.500 -0.007 0.000 0.747 628 K HN -0.102 nan 8.250 nan 0.000 0.467 629 V N -0.418 119.465 119.914 -0.052 0.000 2.743 629 V HA 0.025 4.154 4.120 0.015 0.000 0.237 629 V C 1.489 177.450 176.094 -0.221 0.000 1.113 629 V CA 0.616 62.786 62.300 -0.216 0.000 1.141 629 V CB -0.310 31.276 31.823 -0.395 0.000 0.873 629 V HN 0.140 nan 8.190 nan 0.000 0.486 630 F N 1.396 121.282 119.950 -0.108 0.000 2.698 630 F HA 0.309 4.845 4.527 0.015 0.000 0.295 630 F C 2.281 177.803 175.800 -0.462 0.000 1.124 630 F CA 0.706 58.460 58.000 -0.409 0.000 1.426 630 F CB -0.887 37.567 39.000 -0.910 0.000 1.120 630 F HN 0.163 nan 8.300 nan 0.000 0.583 631 G N 2.415 111.173 108.800 -0.071 0.000 2.672 631 G HA2 -0.287 3.682 3.960 0.015 0.000 0.218 631 G HA3 -0.287 3.682 3.960 0.015 0.000 0.218 631 G C -0.382 174.560 174.900 0.071 0.000 1.238 631 G CA 1.180 46.288 45.100 0.014 0.000 0.791 631 G HN 0.210 nan 8.290 nan 0.000 0.606 632 P HA -0.008 nan 4.420 nan 0.000 0.218 632 P C 1.940 179.300 177.300 0.101 0.000 1.149 632 P CA 1.884 65.034 63.100 0.085 0.000 0.817 632 P CB -0.207 31.539 31.700 0.077 0.000 0.785 633 A N -0.760 122.119 122.820 0.099 0.000 1.969 633 A HA -0.132 4.197 4.320 0.015 0.000 0.218 633 A C 1.908 179.658 177.584 0.276 0.000 1.169 633 A CA 1.188 53.261 52.037 0.060 0.000 0.635 633 A CB -1.391 17.504 19.000 -0.175 0.000 0.810 633 A HN 0.039 nan 8.150 nan 0.000 0.445 634 F N -0.666 119.347 119.950 0.105 0.000 2.569 634 F HA 0.129 4.664 4.527 0.015 0.000 0.295 634 F C 2.079 177.934 175.800 0.093 0.000 1.115 634 F CA 0.338 58.437 58.000 0.164 0.000 1.450 634 F CB -0.758 38.417 39.000 0.292 0.000 1.107 634 F HN 0.148 nan 8.300 nan 0.000 0.563 635 R N 1.331 121.985 120.500 0.256 0.000 2.189 635 R HA -0.226 4.123 4.340 0.015 0.000 0.252 635 R C 1.214 177.540 176.300 0.043 0.000 1.134 635 R CA 2.144 58.328 56.100 0.141 0.000 0.954 635 R CB -0.754 29.602 30.300 0.092 0.000 0.890 635 R HN 0.143 nan 8.270 nan 0.000 0.443 636 N N -0.479 118.188 118.700 -0.054 0.000 2.204 636 N HA 0.116 4.864 4.740 0.015 0.000 0.219 636 N C -0.656 174.641 175.510 -0.355 0.000 1.151 636 N CA -0.094 52.862 53.050 -0.156 0.000 0.867 636 N CB 0.533 38.962 38.487 -0.097 0.000 1.043 636 N HN 0.147 nan 8.380 nan 0.000 0.516 637 L N 1.180 122.047 121.223 -0.593 0.000 2.416 637 L HA 0.090 4.438 4.340 0.015 0.000 0.272 637 L C 1.738 177.837 176.870 -1.284 0.000 1.161 637 L CA 0.196 54.481 54.840 -0.926 0.000 0.845 637 L CB 0.723 42.072 42.059 -1.184 0.000 1.119 637 L HN 0.109 nan 8.230 nan 0.000 0.464 638 T N -2.076 112.056 114.554 -0.703 0.000 3.044 638 T HA 0.119 4.478 4.350 0.015 0.000 0.250 638 T C 0.458 175.077 174.700 -0.135 0.000 1.081 638 T CA -0.014 61.841 62.100 -0.408 0.000 1.040 638 T CB 0.401 69.143 68.868 -0.209 0.000 0.962 638 T HN 0.510 nan 8.240 nan 0.000 0.506 639 E N 0.343 120.411 120.200 -0.219 0.000 2.304 639 E HA 0.530 4.889 4.350 0.015 0.000 0.277 639 E C -2.210 174.490 176.600 0.167 0.000 0.898 639 E CA -0.741 55.754 56.400 0.158 0.000 0.764 639 E CB 2.631 32.403 29.700 0.120 0.000 1.216 639 E HN 0.246 nan 8.360 nan 0.000 0.419 640 L N 3.553 125.047 121.223 0.452 0.000 2.401 640 L HA 0.603 4.952 4.340 0.015 0.000 0.266 640 L C -1.487 175.622 176.870 0.400 0.000 0.991 640 L CA -0.310 54.740 54.840 0.349 0.000 0.818 640 L CB 1.889 44.150 42.059 0.337 0.000 1.321 640 L HN 0.367 nan 8.230 nan 0.000 0.413 641 D N 4.890 125.497 120.400 0.345 0.000 2.346 641 D HA 0.346 4.994 4.640 0.015 0.000 0.255 641 D C -0.609 175.793 176.300 0.171 0.000 1.276 641 D CA -0.083 54.090 54.000 0.288 0.000 0.941 641 D CB 0.732 41.620 40.800 0.147 0.000 1.199 641 D HN 0.637 nan 8.370 nan 0.000 0.537 642 M N 2.362 122.091 119.600 0.216 0.000 2.771 642 M HA 0.275 4.764 4.480 0.015 0.000 0.341 642 M C 1.600 177.408 176.300 -0.820 0.000 1.226 642 M CA -0.456 54.829 55.300 -0.025 0.000 0.955 642 M CB 0.678 33.510 32.600 0.387 0.000 1.318 642 M HN 0.023 nan 8.290 nan 0.000 0.514 643 R N 0.921 120.585 120.500 -1.393 0.000 2.140 643 R HA -0.145 4.204 4.340 0.015 0.000 0.250 643 R C 0.001 175.590 176.300 -1.185 0.000 1.150 643 R CA 1.667 56.685 56.100 -1.803 0.000 0.966 643 R CB -0.108 29.300 30.300 -1.487 0.000 0.869 643 R HN 0.292 nan 8.270 nan 0.000 0.445 644 F N 0.621 120.323 119.950 -0.414 0.000 2.664 644 F HA 0.328 4.864 4.527 0.015 0.000 0.322 644 F C -0.145 175.468 175.800 -0.312 0.000 1.324 644 F CA -0.649 57.190 58.000 -0.269 0.000 1.154 644 F CB 0.220 39.116 39.000 -0.174 0.000 1.236 644 F HN -0.145 nan 8.300 nan 0.000 0.532 645 N N 1.873 120.315 118.700 -0.430 0.000 2.404 645 N HA 0.360 5.109 4.740 0.015 0.000 0.297 645 N C -2.549 172.517 175.510 -0.741 0.000 1.163 645 N CA -1.471 51.198 53.050 -0.636 0.000 0.864 645 N CB 1.950 39.875 38.487 -0.935 0.000 1.247 645 N HN -0.076 nan 8.380 nan 0.000 0.510 646 P HA 0.207 nan 4.420 nan 0.000 0.225 646 P C -0.600 176.617 177.300 -0.139 0.000 1.813 646 P CA -0.185 62.791 63.100 -0.207 0.000 1.013 646 P CB -0.763 30.878 31.700 -0.098 0.000 1.961 647 F N 1.373 121.357 119.950 0.056 0.000 2.545 647 F HA 0.080 4.616 4.527 0.015 0.000 0.348 647 F C 1.666 177.496 175.800 0.050 0.000 1.163 647 F CA 0.716 58.752 58.000 0.060 0.000 1.331 647 F CB 0.374 39.420 39.000 0.076 0.000 1.138 647 F HN 0.172 nan 8.300 nan 0.000 0.602 648 D N -0.478 120.079 120.400 0.262 0.000 2.846 648 D HA 0.116 4.765 4.640 0.015 0.000 0.200 648 D C -0.684 175.683 176.300 0.112 0.000 1.421 648 D CA 0.249 54.339 54.000 0.150 0.000 1.400 648 D CB 0.444 41.310 40.800 0.110 0.000 1.461 648 D HN 0.448 nan 8.370 nan 0.000 0.352 649 C N 2.589 121.954 119.300 0.109 0.000 2.248 649 C HA 0.849 5.317 4.460 0.015 0.000 0.320 649 C C 0.531 175.557 174.990 0.061 0.000 1.065 649 C CA -0.762 58.299 59.018 0.073 0.000 1.558 649 C CB -1.171 26.608 27.740 0.066 0.000 1.787 649 C HN 0.363 nan 8.230 nan 0.000 0.426 650 T N -1.614 112.958 114.554 0.030 0.000 2.870 650 T HA 0.750 5.108 4.350 0.015 0.000 0.277 650 T C -0.542 174.143 174.700 -0.026 0.000 1.000 650 T CA -0.689 61.407 62.100 -0.007 0.000 0.982 650 T CB 1.687 70.515 68.868 -0.066 0.000 1.249 650 T HN 0.777 nan 8.240 nan 0.000 0.589 651 C N 2.588 121.855 119.300 -0.054 0.000 2.833 651 C HA 0.538 5.007 4.460 0.015 0.000 0.383 651 C C -0.335 174.614 174.990 -0.068 0.000 1.058 651 C CA -0.670 58.325 59.018 -0.037 0.000 1.259 651 C CB -0.158 27.584 27.740 0.003 0.000 1.726 651 C HN 1.196 nan 8.230 nan 0.000 0.484 652 E N 3.686 123.833 120.200 -0.087 0.000 2.468 652 E HA 0.369 4.728 4.350 0.015 0.000 0.263 652 E C -0.027 176.474 176.600 -0.165 0.000 1.192 652 E CA 0.125 56.441 56.400 -0.140 0.000 1.016 652 E CB 0.346 29.971 29.700 -0.124 0.000 0.980 652 E HN 0.684 nan 8.360 nan 0.000 0.467 653 S N 0.411 115.953 115.700 -0.263 0.000 2.549 653 S HA 0.651 5.129 4.470 0.015 0.000 0.297 653 S C 0.425 174.818 174.600 -0.345 0.000 1.115 653 S CA -0.814 57.160 58.200 -0.376 0.000 1.059 653 S CB 0.976 63.846 63.200 -0.549 0.000 1.046 653 S HN 0.592 nan 8.310 nan 0.000 0.506 654 I N 0.582 120.918 120.570 -0.391 0.000 4.274 654 I HA 0.290 4.468 4.170 0.015 0.000 0.246 654 I C 2.218 178.104 176.117 -0.384 0.000 1.052 654 I CA 0.062 61.180 61.300 -0.304 0.000 1.840 654 I CB -0.614 37.300 38.000 -0.143 0.000 1.576 654 I HN 0.710 nan 8.210 nan 0.000 0.451 655 A N 0.526 123.109 122.820 -0.394 0.000 2.123 655 A HA 0.085 4.414 4.320 0.015 0.000 0.214 655 A C 0.415 178.007 177.584 0.014 0.000 1.152 655 A CA 0.389 52.372 52.037 -0.089 0.000 0.728 655 A CB -0.241 18.895 19.000 0.226 0.000 0.814 655 A HN 0.634 nan 8.150 nan 0.000 0.464 656 W N -4.697 116.583 121.300 -0.035 0.000 2.826 656 W HA 0.458 5.127 4.660 0.015 0.000 0.410 656 W C -1.427 175.121 176.519 0.048 0.000 1.128 656 W CA -2.030 55.334 57.345 0.031 0.000 1.176 656 W CB -0.255 29.212 29.460 0.012 0.000 1.475 656 W HN -0.128 nan 8.180 nan 0.000 0.588 657 F N 2.334 122.541 119.950 0.428 0.000 2.538 657 F HA 0.259 4.795 4.527 0.015 0.000 0.382 657 F C 0.310 176.188 175.800 0.129 0.000 1.069 657 F CA 0.502 58.620 58.000 0.197 0.000 1.138 657 F CB 0.475 39.583 39.000 0.179 0.000 1.068 657 F HN -0.017 nan 8.300 nan 0.000 0.556 658 V N 5.063 124.804 119.914 -0.288 0.000 2.385 658 V HA 0.079 4.208 4.120 0.015 0.000 0.277 658 V C -0.029 175.820 176.094 -0.408 0.000 1.012 658 V CA -1.020 61.049 62.300 -0.384 0.000 0.832 658 V CB 1.112 32.456 31.823 -0.798 0.000 1.028 658 V HN 0.638 nan 8.190 nan 0.000 0.436 659 N N 3.139 121.791 118.700 -0.080 0.000 2.680 659 N HA -0.036 4.713 4.740 0.015 0.000 0.197 659 N C -0.094 175.487 175.510 0.120 0.000 1.288 659 N CA 0.384 53.412 53.050 -0.037 0.000 0.924 659 N CB 0.042 38.575 38.487 0.076 0.000 1.025 659 N HN 0.780 nan 8.380 nan 0.000 0.447 660 W N -0.501 120.677 121.300 -0.204 0.000 2.573 660 W HA 0.577 5.246 4.660 0.015 0.000 0.326 660 W C 0.468 176.881 176.519 -0.176 0.000 1.049 660 W CA -1.438 55.795 57.345 -0.186 0.000 1.220 660 W CB -0.010 29.331 29.460 -0.199 0.000 1.373 660 W HN -0.195 nan 8.180 nan 0.000 0.507 661 I N 2.037 122.628 120.570 0.034 0.000 4.770 661 I HA -0.025 4.154 4.170 0.015 0.000 0.327 661 I C 1.428 177.560 176.117 0.025 0.000 1.271 661 I CA 0.311 61.593 61.300 -0.031 0.000 1.320 661 I CB 0.351 38.306 38.000 -0.075 0.000 1.319 661 I HN 0.288 nan 8.210 nan 0.000 0.462 662 N N 0.716 119.448 118.700 0.052 0.000 2.305 662 N HA -0.094 4.655 4.740 0.015 0.000 0.179 662 N C 1.146 176.705 175.510 0.082 0.000 1.019 662 N CA 1.046 54.133 53.050 0.062 0.000 0.869 662 N CB -0.514 38.007 38.487 0.056 0.000 1.000 662 N HN 0.269 nan 8.380 nan 0.000 0.431 663 E N 0.988 121.223 120.200 0.060 0.000 2.502 663 E HA -0.005 4.353 4.350 0.015 0.000 0.194 663 E C 0.583 177.271 176.600 0.147 0.000 1.062 663 E CA 0.255 56.603 56.400 -0.087 0.000 0.867 663 E CB -0.653 28.668 29.700 -0.632 0.000 0.888 663 E HN 0.588 nan 8.360 nan 0.000 0.510 664 T N 0.000 114.806 114.554 0.421 0.000 3.816 664 T HA 0.000 4.359 4.350 0.015 0.000 0.228 664 T CA 0.000 62.422 62.100 0.536 0.000 1.349 664 T CB 0.000 68.952 68.868 0.140 0.000 0.612 664 T HN 0.000 nan 8.240 nan 0.000 0.658