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 1lq2_1_A DATA FIRST_RESID 1 DATA SEQUENCE DYVLYKDATK PVEDRVADLL GRMTLAEKIG QMTQIERLVA TPDVLRDNFI DATA SEQUENCE GSLLSGGGSV PRKGATAKEW QDMVDGFQKA CMSTRLGIPM IYGIDAVHGQ DATA SEQUENCE NNVYGATIFP HNVGLGATRD PYLVKRIGEA TALEVRATGI QYAFAPCIAV DATA SEQUENCE cRDPRWGRcY ESYSEDRRIV QSMTELIPGL QGDVPKDFTS GMPFVAGKNK DATA SEQUENCE VAACAKHFVG DGGTVDGINE NNTIINREGL MNIHMPAYKN AMDKGVSTVM DATA SEQUENCE ISYSSWNGVK MHANQDLVTG YLKDTLKFKG FVISDWEGID RITTPAGSDY DATA SEQUENCE SYSVKASILA GLDMIMVPNK YQQFISILTG HVNGGVIPMS RIDDAVTRIL DATA SEQUENCE RVKFTMGLFE NPYADPAMAE QLGKQEHRDL AREAARKSLV LLKNGKTSTD DATA SEQUENCE APLLPLPKKA PKILVAGSHA DNLGYQCGGW TIEWQGDTGR TTVGTTILEA DATA SEQUENCE VKAAVDPSTV VVFAENPDAE FVKSGGFSYA IVAVGEHPYT ETKGDNLNLT DATA SEQUENCE IPEPGLSTVQ AVcGGVRcAT VLISGRPVVV QPLLAASDAL VAAWLPGSEG DATA SEQUENCE QGVTDALFGD FGFTGRLPRT WFKSVDQLPM NVGDAHYDPL FRLGYGLTTN DATA SEQUENCE AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.347 176.300 0.078 0.000 2.045 1 D CA 0.000 54.038 54.000 0.063 0.000 0.868 1 D CB 0.000 40.841 40.800 0.068 0.000 0.688 2 Y N 0.849 121.139 120.300 -0.017 0.000 2.729 2 Y HA 0.387 4.939 4.550 0.005 0.000 0.331 2 Y C -0.411 175.464 175.900 -0.042 0.000 1.208 2 Y CA -0.008 58.075 58.100 -0.029 0.000 1.521 2 Y CB 0.409 38.855 38.460 -0.024 0.000 1.233 2 Y HN 0.250 nan 8.280 nan 0.000 0.539 3 V N 9.886 129.409 119.914 -0.651 0.000 2.304 3 V HA 0.019 4.142 4.120 0.005 0.000 0.269 3 V C 0.925 176.430 176.094 -0.982 0.000 1.036 3 V CA -0.568 61.336 62.300 -0.660 0.000 0.840 3 V CB 0.423 31.936 31.823 -0.517 0.000 1.036 3 V HN 0.964 nan 8.190 nan 0.000 0.466 4 L N 6.012 126.700 121.223 -0.892 0.000 2.013 4 L HA -0.190 4.153 4.340 0.005 0.000 0.212 4 L C 2.288 178.988 176.870 -0.283 0.000 1.073 4 L CA 2.649 57.149 54.840 -0.567 0.000 0.753 4 L CB -0.969 40.989 42.059 -0.167 0.000 0.890 4 L HN 0.779 nan 8.230 nan 0.000 0.432 5 Y N -0.560 119.604 120.300 -0.226 0.000 2.465 5 Y HA -0.126 4.427 4.550 0.006 0.000 0.289 5 Y C 2.076 177.951 175.900 -0.041 0.000 1.150 5 Y CA 1.537 59.533 58.100 -0.172 0.000 1.293 5 Y CB -1.010 37.403 38.460 -0.079 0.000 0.977 5 Y HN 0.221 nan 8.280 nan 0.000 0.556 6 K N 0.049 120.203 120.400 -0.410 0.000 2.400 6 K HA -0.039 4.284 4.320 0.005 0.000 0.194 6 K C -0.087 176.478 176.600 -0.059 0.000 1.033 6 K CA 0.488 56.638 56.287 -0.228 0.000 1.021 6 K CB 0.039 32.310 32.500 -0.380 0.000 0.808 6 K HN 0.197 nan 8.250 nan 0.000 0.505 7 D N 0.267 120.624 120.400 -0.072 0.000 2.365 7 D HA 0.131 4.774 4.640 0.005 0.000 0.237 7 D C 0.663 176.999 176.300 0.060 0.000 1.190 7 D CA -0.177 53.847 54.000 0.041 0.000 0.867 7 D CB 1.366 42.253 40.800 0.145 0.000 1.050 7 D HN 0.114 nan 8.370 nan 0.000 0.491 8 A N 2.908 125.777 122.820 0.083 0.000 1.972 8 A HA -0.147 4.176 4.320 0.005 0.000 0.219 8 A C 1.979 179.604 177.584 0.068 0.000 1.169 8 A CA 1.814 53.906 52.037 0.092 0.000 0.635 8 A CB -0.785 18.276 19.000 0.101 0.000 0.810 8 A HN 0.646 nan 8.150 nan 0.000 0.446 9 T N -2.189 112.403 114.554 0.063 0.000 3.163 9 T HA 0.071 4.424 4.350 0.005 0.000 0.260 9 T C 0.580 175.303 174.700 0.039 0.000 1.156 9 T CA 0.231 62.361 62.100 0.050 0.000 1.072 9 T CB -0.295 68.601 68.868 0.046 0.000 0.937 9 T HN 0.187 nan 8.240 nan 0.000 0.528 10 K N 1.989 122.408 120.400 0.032 0.000 2.118 10 K HA 0.501 4.824 4.320 0.005 0.000 0.254 10 K C -2.818 173.765 176.600 -0.028 0.000 0.961 10 K CA -2.744 53.547 56.287 0.007 0.000 0.876 10 K CB 0.837 33.341 32.500 0.008 0.000 1.077 10 K HN 0.063 nan 8.250 nan 0.000 0.440 11 P HA -0.011 nan 4.420 nan 0.000 0.268 11 P C 1.037 178.266 177.300 -0.118 0.000 1.208 11 P CA -0.208 62.861 63.100 -0.052 0.000 0.777 11 P CB 0.512 32.185 31.700 -0.046 0.000 0.875 12 V N 2.068 121.927 119.914 -0.092 0.000 2.233 12 V HA -0.260 3.863 4.120 0.005 0.000 0.247 12 V C 2.183 178.131 176.094 -0.243 0.000 1.050 12 V CA 1.905 64.116 62.300 -0.148 0.000 1.010 12 V CB -1.011 30.802 31.823 -0.018 0.000 0.637 12 V HN 0.599 nan 8.190 nan 0.000 0.444 13 E N 0.148 120.262 120.200 -0.144 0.000 2.097 13 E HA -0.248 4.105 4.350 0.005 0.000 0.196 13 E C 1.965 178.458 176.600 -0.177 0.000 1.000 13 E CA 1.621 57.937 56.400 -0.139 0.000 0.804 13 E CB -0.656 28.991 29.700 -0.087 0.000 0.740 13 E HN 0.620 nan 8.360 nan 0.000 0.454 14 D N 0.575 120.877 120.400 -0.164 0.000 2.104 14 D HA -0.129 4.515 4.640 0.005 0.000 0.194 14 D C 2.133 178.296 176.300 -0.229 0.000 0.994 14 D CA 1.013 54.924 54.000 -0.149 0.000 0.830 14 D CB -0.268 40.472 40.800 -0.100 0.000 0.959 14 D HN 0.160 nan 8.370 nan 0.000 0.452 15 R N 0.282 120.547 120.500 -0.392 0.000 2.081 15 R HA -0.059 4.284 4.340 0.005 0.000 0.235 15 R C 2.453 178.313 176.300 -0.734 0.000 1.131 15 R CA 0.628 56.351 56.100 -0.629 0.000 0.960 15 R CB -0.477 29.177 30.300 -1.078 0.000 0.856 15 R HN 0.072 nan 8.270 nan 0.000 0.436 16 V N 1.215 120.690 119.914 -0.731 0.000 2.261 16 V HA -0.276 3.848 4.120 0.005 0.000 0.246 16 V C 2.479 178.466 176.094 -0.179 0.000 1.047 16 V CA 2.072 64.163 62.300 -0.348 0.000 1.015 16 V CB -0.801 30.927 31.823 -0.159 0.000 0.642 16 V HN 0.441 nan 8.190 nan 0.000 0.446 17 A N -0.611 122.113 122.820 -0.162 0.000 1.940 17 A HA -0.326 3.997 4.320 0.005 0.000 0.219 17 A C 2.199 179.737 177.584 -0.077 0.000 1.176 17 A CA 2.174 54.153 52.037 -0.097 0.000 0.631 17 A CB -0.651 18.298 19.000 -0.084 0.000 0.814 17 A HN 0.648 nan 8.150 nan 0.000 0.446 18 D N -0.559 119.790 120.400 -0.086 0.000 2.103 18 D HA -0.124 4.519 4.640 0.005 0.000 0.199 18 D C 1.949 178.248 176.300 -0.002 0.000 0.978 18 D CA 1.547 55.534 54.000 -0.023 0.000 0.829 18 D CB -0.065 40.735 40.800 -0.000 0.000 0.981 18 D HN 0.311 nan 8.370 nan 0.000 0.464 19 L N 1.150 122.330 121.223 -0.072 0.000 1.994 19 L HA -0.124 4.219 4.340 0.005 0.000 0.208 19 L C 2.430 179.210 176.870 -0.149 0.000 1.071 19 L CA 1.342 56.028 54.840 -0.257 0.000 0.745 19 L CB -1.105 40.675 42.059 -0.465 0.000 0.892 19 L HN 0.093 nan 8.230 nan 0.000 0.431 20 L N 0.209 121.377 121.223 -0.093 0.000 2.129 20 L HA -0.103 4.241 4.340 0.005 0.000 0.212 20 L C 2.230 179.068 176.870 -0.053 0.000 1.087 20 L CA 2.081 56.883 54.840 -0.063 0.000 0.757 20 L CB -1.339 40.693 42.059 -0.044 0.000 0.896 20 L HN 0.370 nan 8.230 nan 0.000 0.434 21 G N -1.294 107.481 108.800 -0.042 0.000 2.509 21 G HA2 -0.188 3.775 3.960 0.005 0.000 0.218 21 G HA3 -0.188 3.775 3.960 0.005 0.000 0.218 21 G C 1.647 176.537 174.900 -0.017 0.000 1.124 21 G CA 0.551 45.637 45.100 -0.024 0.000 0.776 21 G HN 0.446 nan 8.290 nan 0.000 0.547 22 R N -0.972 119.516 120.500 -0.020 0.000 2.308 22 R HA 0.345 4.688 4.340 0.005 0.000 0.202 22 R C 0.755 177.035 176.300 -0.032 0.000 0.898 22 R CA -0.263 55.835 56.100 -0.003 0.000 1.046 22 R CB 0.212 30.540 30.300 0.047 0.000 1.026 22 R HN 0.293 nan 8.270 nan 0.000 0.512 23 M N 1.338 120.901 119.600 -0.063 0.000 2.228 23 M HA 0.050 4.533 4.480 0.005 0.000 0.351 23 M C 1.081 177.322 176.300 -0.099 0.000 1.233 23 M CA 0.049 55.294 55.300 -0.093 0.000 1.129 23 M CB 1.242 33.782 32.600 -0.099 0.000 1.604 23 M HN 0.154 nan 8.290 nan 0.000 0.457 24 T N 0.210 114.677 114.554 -0.144 0.000 4.604 24 T HA 0.116 4.469 4.350 0.005 0.000 0.390 24 T C 0.704 175.323 174.700 -0.135 0.000 1.141 24 T CA -0.243 61.774 62.100 -0.138 0.000 0.919 24 T CB 0.216 68.972 68.868 -0.187 0.000 1.732 24 T HN 0.658 nan 8.240 nan 0.000 0.490 25 L N 0.029 121.169 121.223 -0.139 0.000 2.467 25 L HA 0.577 4.920 4.340 0.005 0.000 0.213 25 L C 2.630 179.417 176.870 -0.139 0.000 1.053 25 L CA 1.355 56.128 54.840 -0.111 0.000 0.847 25 L CB -1.295 40.718 42.059 -0.078 0.000 1.075 25 L HN 0.758 nan 8.230 nan 0.000 0.479 26 A N -0.057 122.649 122.820 -0.191 0.000 1.940 26 A HA -0.202 4.121 4.320 0.005 0.000 0.219 26 A C 2.057 179.461 177.584 -0.300 0.000 1.176 26 A CA 1.990 53.903 52.037 -0.206 0.000 0.631 26 A CB -0.555 18.308 19.000 -0.228 0.000 0.814 26 A HN 0.628 nan 8.150 nan 0.000 0.446 27 E N -0.213 119.691 120.200 -0.493 0.000 2.107 27 E HA -0.136 4.217 4.350 0.005 0.000 0.191 27 E C 2.011 178.521 176.600 -0.150 0.000 0.982 27 E CA 1.117 57.260 56.400 -0.429 0.000 0.809 27 E CB -0.144 29.269 29.700 -0.479 0.000 0.756 27 E HN 0.578 nan 8.360 nan 0.000 0.459 28 K N 0.711 121.033 120.400 -0.130 0.000 2.057 28 K HA -0.091 4.232 4.320 0.005 0.000 0.207 28 K C 2.102 178.684 176.600 -0.031 0.000 1.049 28 K CA 1.036 57.282 56.287 -0.067 0.000 0.931 28 K CB -0.063 32.400 32.500 -0.063 0.000 0.714 28 K HN 0.128 nan 8.250 nan 0.000 0.440 29 I N 0.435 120.986 120.570 -0.031 0.000 2.546 29 I HA -0.136 4.038 4.170 0.005 0.000 0.255 29 I C 2.379 178.542 176.117 0.076 0.000 1.163 29 I CA 0.853 62.163 61.300 0.017 0.000 1.457 29 I CB -0.446 37.538 38.000 -0.027 0.000 1.092 29 I HN 0.278 nan 8.210 nan 0.000 0.434 30 G N 0.219 109.057 108.800 0.063 0.000 2.418 30 G HA2 -0.225 3.739 3.960 0.005 0.000 0.217 30 G HA3 -0.225 3.739 3.960 0.005 0.000 0.217 30 G C 1.538 176.478 174.900 0.066 0.000 1.158 30 G CA 0.311 45.481 45.100 0.117 0.000 0.771 30 G HN 0.261 nan 8.290 nan 0.000 0.545 31 Q N -0.144 119.671 119.800 0.026 0.000 2.291 31 Q HA 0.077 4.421 4.340 0.005 0.000 0.206 31 Q C 2.392 178.364 176.000 -0.048 0.000 0.976 31 Q CA 0.785 56.573 55.803 -0.025 0.000 0.875 31 Q CB -0.213 28.502 28.738 -0.038 0.000 0.927 31 Q HN 0.560 nan 8.270 nan 0.000 0.450 32 M N -0.219 119.394 119.600 0.022 0.000 2.561 32 M HA 0.041 4.524 4.480 0.005 0.000 0.238 32 M C -0.067 176.280 176.300 0.079 0.000 1.131 32 M CA 0.329 55.658 55.300 0.048 0.000 1.046 32 M CB 0.446 33.132 32.600 0.144 0.000 1.532 32 M HN -0.218 nan 8.290 nan 0.000 0.497 33 T N 1.299 115.898 114.554 0.076 0.000 2.771 33 T HA 0.339 4.693 4.350 0.005 0.000 0.281 33 T C -0.556 174.104 174.700 -0.066 0.000 0.982 33 T CA -0.533 61.587 62.100 0.034 0.000 0.978 33 T CB 1.833 70.804 68.868 0.172 0.000 0.930 33 T HN 0.202 nan 8.240 nan 0.000 0.447 34 Q N 3.685 123.407 119.800 -0.130 0.000 2.340 34 Q HA 0.703 5.046 4.340 0.005 0.000 0.268 34 Q C -1.150 174.754 176.000 -0.161 0.000 1.031 34 Q CA -0.864 54.867 55.803 -0.119 0.000 0.804 34 Q CB 1.139 29.834 28.738 -0.071 0.000 1.286 34 Q HN 0.843 nan 8.270 nan 0.000 0.448 35 I N -0.750 119.718 120.570 -0.170 0.000 2.828 35 I HA 0.577 4.750 4.170 0.005 0.000 0.302 35 I C -0.276 175.720 176.117 -0.201 0.000 1.101 35 I CA -1.107 60.082 61.300 -0.185 0.000 1.031 35 I CB 2.083 39.994 38.000 -0.149 0.000 1.231 35 I HN 0.435 nan 8.210 nan 0.000 0.427 36 E N 2.960 123.044 120.200 -0.193 0.000 2.418 36 E HA 0.019 4.373 4.350 0.005 0.000 0.261 36 E C 0.828 177.372 176.600 -0.093 0.000 1.070 36 E CA 0.140 56.481 56.400 -0.099 0.000 0.931 36 E CB 1.135 30.808 29.700 -0.045 0.000 0.954 36 E HN 0.784 nan 8.360 nan 0.000 0.439 37 R N 3.043 123.530 120.500 -0.022 0.000 2.148 37 R HA -0.058 4.285 4.340 0.005 0.000 0.227 37 R C 2.164 178.483 176.300 0.032 0.000 1.103 37 R CA 0.754 56.821 56.100 -0.055 0.000 0.983 37 R CB -0.373 30.086 30.300 0.265 0.000 0.874 37 R HN 0.377 nan 8.270 nan 0.000 0.451 38 L N 1.652 122.925 121.223 0.083 0.000 2.127 38 L HA -0.113 4.230 4.340 0.005 0.000 0.211 38 L C 2.000 178.911 176.870 0.069 0.000 1.089 38 L CA 1.130 56.026 54.840 0.095 0.000 0.757 38 L CB -0.209 41.915 42.059 0.109 0.000 0.899 38 L HN 0.259 nan 8.230 nan 0.000 0.434 39 V N -4.069 115.869 119.914 0.040 0.000 3.376 39 V HA 0.493 4.616 4.120 0.005 0.000 0.313 39 V C 0.693 176.803 176.094 0.027 0.000 1.393 39 V CA -0.277 62.068 62.300 0.075 0.000 1.125 39 V CB -0.471 31.438 31.823 0.142 0.000 1.037 39 V HN 0.136 nan 8.190 nan 0.000 0.440 40 A N 0.336 123.110 122.820 -0.076 0.000 2.310 40 A HA 0.821 5.144 4.320 0.005 0.000 0.299 40 A C 0.171 177.745 177.584 -0.017 0.000 1.147 40 A CA -0.083 51.837 52.037 -0.195 0.000 0.818 40 A CB 0.838 19.492 19.000 -0.576 0.000 1.096 40 A HN 0.498 nan 8.150 nan 0.000 0.495 41 T N 3.445 117.989 114.554 -0.015 0.000 2.982 41 T HA 0.421 4.775 4.350 0.005 0.000 0.321 41 T C -2.270 172.460 174.700 0.051 0.000 1.229 41 T CA -0.633 61.512 62.100 0.074 0.000 1.044 41 T CB 1.927 70.822 68.868 0.046 0.000 1.184 41 T HN 0.310 nan 8.240 nan 0.000 0.477 42 P HA -0.207 nan 4.420 nan 0.000 0.219 42 P C 1.038 178.330 177.300 -0.014 0.000 1.161 42 P CA 1.426 64.558 63.100 0.054 0.000 0.909 42 P CB 0.183 31.911 31.700 0.046 0.000 0.793 43 D N -1.094 119.296 120.400 -0.017 0.000 2.092 43 D HA -0.122 4.521 4.640 0.005 0.000 0.193 43 D C 2.093 178.344 176.300 -0.081 0.000 0.994 43 D CA 1.057 55.031 54.000 -0.043 0.000 0.828 43 D CB -1.082 39.708 40.800 -0.017 0.000 0.963 43 D HN -0.061 nan 8.370 nan 0.000 0.450 44 V N 1.158 121.026 119.914 -0.077 0.000 2.252 44 V HA -0.260 3.863 4.120 0.005 0.000 0.249 44 V C 2.708 178.663 176.094 -0.232 0.000 1.056 44 V CA 1.403 63.612 62.300 -0.151 0.000 1.022 44 V CB -0.601 31.102 31.823 -0.200 0.000 0.641 44 V HN 0.214 nan 8.190 nan 0.000 0.445 45 L N -0.708 120.392 121.223 -0.204 0.000 2.042 45 L HA -0.218 4.125 4.340 0.005 0.000 0.210 45 L C 2.734 179.475 176.870 -0.216 0.000 1.076 45 L CA 1.999 56.719 54.840 -0.201 0.000 0.749 45 L CB -0.590 41.393 42.059 -0.128 0.000 0.893 45 L HN 0.273 nan 8.230 nan 0.000 0.432 46 R N 0.038 120.411 120.500 -0.211 0.000 2.062 46 R HA -0.130 4.213 4.340 0.005 0.000 0.226 46 R C 1.840 177.822 176.300 -0.530 0.000 1.125 46 R CA 1.536 57.449 56.100 -0.311 0.000 0.966 46 R CB -0.037 30.140 30.300 -0.205 0.000 0.861 46 R HN 0.301 nan 8.270 nan 0.000 0.433 47 D N 0.250 120.442 120.400 -0.345 0.000 2.219 47 D HA -0.100 4.543 4.640 0.005 0.000 0.205 47 D C 0.719 176.870 176.300 -0.247 0.000 0.970 47 D CA 0.924 54.741 54.000 -0.304 0.000 0.851 47 D CB -0.109 40.621 40.800 -0.117 0.000 0.943 47 D HN 0.276 nan 8.370 nan 0.000 0.488 48 N N -0.086 118.496 118.700 -0.197 0.000 2.203 48 N HA 0.019 4.762 4.740 0.005 0.000 0.207 48 N C -0.166 175.441 175.510 0.160 0.000 1.130 48 N CA -0.144 52.923 53.050 0.028 0.000 0.861 48 N CB 0.596 39.066 38.487 -0.028 0.000 1.005 48 N HN 0.031 nan 8.380 nan 0.000 0.507 49 F N 0.627 120.549 119.950 -0.047 0.000 3.090 49 F HA -0.226 4.304 4.527 0.005 0.000 0.282 49 F C 0.162 175.926 175.800 -0.060 0.000 0.923 49 F CA -0.039 57.934 58.000 -0.044 0.000 0.977 49 F CB -1.757 37.227 39.000 -0.027 0.000 0.954 49 F HN 0.033 nan 8.300 nan 0.000 0.695 50 I N 0.774 121.338 120.570 -0.011 0.000 2.821 50 I HA -0.088 4.085 4.170 0.005 0.000 0.294 50 I C 1.740 177.834 176.117 -0.038 0.000 1.210 50 I CA 1.193 62.461 61.300 -0.052 0.000 1.430 50 I CB -0.025 37.882 38.000 -0.155 0.000 1.356 50 I HN 0.408 nan 8.210 nan 0.000 0.563 51 G N 4.224 113.003 108.800 -0.035 0.000 2.887 51 G HA2 0.118 4.081 3.960 0.005 0.000 0.211 51 G HA3 0.118 4.081 3.960 0.005 0.000 0.211 51 G C 0.539 175.394 174.900 -0.076 0.000 1.152 51 G CA 0.323 45.388 45.100 -0.058 0.000 0.769 51 G HN 0.594 nan 8.290 nan 0.000 0.541 52 S N -1.074 114.584 115.700 -0.071 0.000 2.543 52 S HA 0.668 5.141 4.470 0.005 0.000 0.274 52 S C -1.507 173.042 174.600 -0.086 0.000 1.149 52 S CA -0.738 57.435 58.200 -0.045 0.000 0.866 52 S CB 0.878 64.073 63.200 -0.009 0.000 1.111 52 S HN 0.090 nan 8.310 nan 0.000 0.457 53 L N 3.903 125.062 121.223 -0.107 0.000 2.309 53 L HA 0.844 5.187 4.340 0.005 0.000 0.261 53 L C -0.710 175.856 176.870 -0.507 0.000 1.021 53 L CA -1.101 53.583 54.840 -0.261 0.000 0.823 53 L CB 1.860 43.780 42.059 -0.230 0.000 1.366 53 L HN 0.828 nan 8.230 nan 0.000 0.423 54 L N -1.769 119.141 121.223 -0.522 0.000 2.630 54 L HA 0.769 5.112 4.340 0.005 0.000 0.258 54 L C -1.126 175.620 176.870 -0.206 0.000 1.072 54 L CA -0.483 54.065 54.840 -0.487 0.000 0.885 54 L CB 2.377 44.454 42.059 0.030 0.000 1.502 54 L HN 0.440 nan 8.230 nan 0.000 0.406 55 S N -0.068 115.674 115.700 0.071 0.000 2.707 55 S HA 0.723 5.196 4.470 0.005 0.000 0.303 55 S C -0.012 174.821 174.600 0.389 0.000 1.132 55 S CA -0.203 58.192 58.200 0.324 0.000 1.046 55 S CB 1.527 65.040 63.200 0.523 0.000 1.004 55 S HN 1.089 nan 8.310 nan 0.000 0.483 56 G N 1.654 110.697 108.800 0.405 0.000 2.616 56 G HA2 0.497 4.460 3.960 0.005 0.000 0.268 56 G HA3 0.497 4.460 3.960 0.005 0.000 0.268 56 G C 0.508 175.525 174.900 0.195 0.000 1.213 56 G CA -0.403 44.836 45.100 0.232 0.000 0.926 56 G HN 0.840 nan 8.290 nan 0.000 0.523 57 G N -1.504 107.342 108.800 0.076 0.000 2.150 57 G HA2 0.482 4.445 3.960 0.005 0.000 0.250 57 G HA3 0.482 4.445 3.960 0.005 0.000 0.250 57 G C 1.312 176.338 174.900 0.209 0.000 1.179 57 G CA 0.802 46.052 45.100 0.249 0.000 0.934 57 G HN 2.009 nan 8.290 nan 0.000 0.453 58 G N 1.157 110.136 108.800 0.298 0.000 2.162 58 G HA2 -0.269 3.695 3.960 0.005 0.000 0.260 58 G HA3 -0.269 3.695 3.960 0.005 0.000 0.260 58 G C 0.884 175.930 174.900 0.243 0.000 0.976 58 G CA 0.743 45.997 45.100 0.258 0.000 0.655 58 G HN 1.547 nan 8.290 nan 0.000 0.533 59 S N 0.614 116.479 115.700 0.274 0.000 3.530 59 S HA 0.532 5.005 4.470 0.005 0.000 0.279 59 S C 0.631 175.409 174.600 0.297 0.000 1.280 59 S CA 0.147 58.501 58.200 0.256 0.000 0.946 59 S CB -0.339 63.029 63.200 0.280 0.000 1.501 59 S HN 1.540 nan 8.310 nan 0.000 0.498 60 V N 3.622 123.651 119.914 0.192 0.000 2.850 60 V HA 0.680 4.803 4.120 0.005 0.000 0.315 60 V C -1.407 174.555 176.094 -0.221 0.000 1.064 60 V CA -1.977 60.320 62.300 -0.005 0.000 0.979 60 V CB 1.171 33.108 31.823 0.190 0.000 1.039 60 V HN 0.420 nan 8.190 nan 0.000 0.452 61 P HA -0.055 nan 4.420 nan 0.000 0.217 61 P C 0.339 177.498 177.300 -0.236 0.000 1.150 61 P CA 1.094 63.952 63.100 -0.404 0.000 0.832 61 P CB 0.417 31.735 31.700 -0.635 0.000 0.787 62 R N -0.972 119.391 120.500 -0.228 0.000 2.561 62 R HA 0.273 4.616 4.340 0.005 0.000 0.266 62 R C -0.871 175.397 176.300 -0.054 0.000 1.091 62 R CA -0.673 55.359 56.100 -0.114 0.000 0.927 62 R CB 1.679 31.907 30.300 -0.119 0.000 1.240 62 R HN -0.239 nan 8.270 nan 0.000 0.449 63 K N 1.343 121.734 120.400 -0.015 0.000 2.412 63 K HA 0.200 4.523 4.320 0.005 0.000 0.284 63 K C 0.543 177.122 176.600 -0.035 0.000 1.046 63 K CA 1.284 57.584 56.287 0.022 0.000 0.999 63 K CB 0.972 33.485 32.500 0.022 0.000 0.941 63 K HN 0.893 nan 8.250 nan 0.000 0.474 64 G N 1.746 110.540 108.800 -0.010 0.000 2.159 64 G HA2 -0.263 3.700 3.960 0.005 0.000 0.227 64 G HA3 -0.263 3.700 3.960 0.005 0.000 0.227 64 G C 0.234 175.119 174.900 -0.025 0.000 0.986 64 G CA -0.128 44.846 45.100 -0.210 0.000 0.651 64 G HN 0.828 nan 8.290 nan 0.000 0.523 65 A N 0.560 123.438 122.820 0.097 0.000 2.555 65 A HA 0.584 4.908 4.320 0.005 0.000 0.233 65 A C 1.254 179.005 177.584 0.279 0.000 1.060 65 A CA 1.518 53.619 52.037 0.106 0.000 0.759 65 A CB 0.068 19.025 19.000 -0.073 0.000 0.995 65 A HN 1.915 nan 8.150 nan 0.000 0.506 66 T N -1.063 113.614 114.554 0.205 0.000 2.810 66 T HA 0.535 4.888 4.350 0.005 0.000 0.277 66 T C 1.310 176.216 174.700 0.344 0.000 0.973 66 T CA 0.002 62.241 62.100 0.231 0.000 0.949 66 T CB 0.999 69.946 68.868 0.131 0.000 1.075 66 T HN 1.255 nan 8.240 nan 0.000 0.537 67 A N 0.322 123.283 122.820 0.236 0.000 1.968 67 A HA 0.065 4.389 4.320 0.005 0.000 0.217 67 A C 2.317 180.023 177.584 0.203 0.000 1.169 67 A CA 1.325 53.490 52.037 0.214 0.000 0.638 67 A CB -0.871 18.183 19.000 0.090 0.000 0.812 67 A HN 0.777 nan 8.150 nan 0.000 0.446 68 K N 0.466 120.946 120.400 0.133 0.000 2.057 68 K HA -0.124 4.199 4.320 0.005 0.000 0.207 68 K C 1.875 178.520 176.600 0.075 0.000 1.049 68 K CA 1.837 58.174 56.287 0.083 0.000 0.931 68 K CB -0.273 32.256 32.500 0.048 0.000 0.714 68 K HN 0.678 nan 8.250 nan 0.000 0.440 69 E N -1.216 119.028 120.200 0.073 0.000 2.058 69 E HA -0.226 4.127 4.350 0.005 0.000 0.194 69 E C 2.011 178.586 176.600 -0.042 0.000 0.997 69 E CA 1.547 57.934 56.400 -0.021 0.000 0.801 69 E CB -0.321 29.332 29.700 -0.078 0.000 0.746 69 E HN 0.369 nan 8.360 nan 0.000 0.450 70 W N 1.790 123.068 121.300 -0.036 0.000 2.333 70 W HA -0.196 4.467 4.660 0.005 0.000 0.316 70 W C 2.577 179.033 176.519 -0.106 0.000 1.215 70 W CA 1.295 58.603 57.345 -0.061 0.000 1.278 70 W CB -0.502 28.939 29.460 -0.032 0.000 1.154 70 W HN 0.098 nan 8.180 nan 0.000 0.486 71 Q N -0.166 119.735 119.800 0.168 0.000 2.077 71 Q HA -0.239 4.104 4.340 0.005 0.000 0.206 71 Q C 1.699 177.697 176.000 -0.003 0.000 0.989 71 Q CA 1.818 57.660 55.803 0.064 0.000 0.853 71 Q CB -0.705 28.070 28.738 0.062 0.000 0.907 71 Q HN 0.314 nan 8.270 nan 0.000 0.418 72 D N 0.462 120.847 120.400 -0.025 0.000 2.123 72 D HA -0.180 4.463 4.640 0.005 0.000 0.196 72 D C 1.804 178.004 176.300 -0.167 0.000 0.992 72 D CA 1.096 55.051 54.000 -0.076 0.000 0.833 72 D CB -0.261 40.492 40.800 -0.079 0.000 0.954 72 D HN 0.248 nan 8.370 nan 0.000 0.455 73 M N 0.592 120.058 119.600 -0.223 0.000 2.059 73 M HA -0.183 4.300 4.480 0.005 0.000 0.259 73 M C 2.088 178.076 176.300 -0.520 0.000 1.072 73 M CA 1.422 56.470 55.300 -0.420 0.000 1.117 73 M CB -0.095 32.280 32.600 -0.374 0.000 1.320 73 M HN -0.143 nan 8.290 nan 0.000 0.408 74 V N 1.192 120.936 119.914 -0.285 0.000 2.282 74 V HA -0.328 3.795 4.120 0.005 0.000 0.249 74 V C 1.992 178.033 176.094 -0.089 0.000 1.057 74 V CA 2.316 64.504 62.300 -0.188 0.000 1.032 74 V CB -1.184 30.509 31.823 -0.217 0.000 0.645 74 V HN 0.506 nan 8.190 nan 0.000 0.447 75 D N 0.484 120.849 120.400 -0.057 0.000 2.182 75 D HA -0.131 4.512 4.640 0.005 0.000 0.201 75 D C 2.181 178.505 176.300 0.040 0.000 0.986 75 D CA 1.620 55.664 54.000 0.073 0.000 0.847 75 D CB -0.503 40.369 40.800 0.119 0.000 0.942 75 D HN 0.504 nan 8.370 nan 0.000 0.467 76 G N -0.372 108.342 108.800 -0.143 0.000 2.418 76 G HA2 -0.224 3.739 3.960 0.005 0.000 0.217 76 G HA3 -0.224 3.739 3.960 0.005 0.000 0.217 76 G C 1.611 176.470 174.900 -0.069 0.000 1.158 76 G CA 0.176 45.167 45.100 -0.180 0.000 0.771 76 G HN 0.287 nan 8.290 nan 0.000 0.545 77 F N 0.189 120.146 119.950 0.011 0.000 2.146 77 F HA -0.033 4.497 4.527 0.005 0.000 0.298 77 F C 2.963 178.754 175.800 -0.014 0.000 1.096 77 F CA 1.081 59.087 58.000 0.009 0.000 1.275 77 F CB -0.075 38.954 39.000 0.048 0.000 1.008 77 F HN 0.133 nan 8.300 nan 0.000 0.480 78 Q N 1.341 121.227 119.800 0.143 0.000 2.084 78 Q HA -0.219 4.124 4.340 0.005 0.000 0.202 78 Q C 1.942 177.946 176.000 0.007 0.000 0.978 78 Q CA 1.656 57.438 55.803 -0.035 0.000 0.844 78 Q CB -0.212 28.363 28.738 -0.270 0.000 0.898 78 Q HN 0.100 nan 8.270 nan 0.000 0.426 79 K N -0.319 120.174 120.400 0.156 0.000 2.074 79 K HA -0.171 4.153 4.320 0.005 0.000 0.209 79 K C 1.755 178.416 176.600 0.103 0.000 1.048 79 K CA 1.581 57.997 56.287 0.215 0.000 0.926 79 K CB -0.599 32.001 32.500 0.166 0.000 0.713 79 K HN 0.313 nan 8.250 nan 0.000 0.444 80 A N -0.004 122.863 122.820 0.078 0.000 1.858 80 A HA -0.183 4.140 4.320 0.005 0.000 0.216 80 A C 2.481 180.063 177.584 -0.004 0.000 1.190 80 A CA 1.760 53.819 52.037 0.038 0.000 0.617 80 A CB -1.147 17.887 19.000 0.057 0.000 0.827 80 A HN 0.539 nan 8.150 nan 0.000 0.443 81 C N -0.574 118.719 119.300 -0.012 0.000 2.413 81 C HA -0.114 4.350 4.460 0.005 0.000 0.277 81 C C 2.755 177.721 174.990 -0.040 0.000 1.265 81 C CA 1.207 60.195 59.018 -0.050 0.000 1.752 81 C CB -1.150 26.549 27.740 -0.067 0.000 1.998 81 C HN 0.550 nan 8.230 nan 0.000 0.489 82 M N 1.863 121.450 119.600 -0.022 0.000 2.460 82 M HA -0.060 4.423 4.480 0.005 0.000 0.263 82 M C 2.157 178.482 176.300 0.041 0.000 1.071 82 M CA 1.425 56.730 55.300 0.008 0.000 1.096 82 M CB -1.361 31.279 32.600 0.066 0.000 1.408 82 M HN 0.613 nan 8.290 nan 0.000 0.463 83 S N -0.739 114.977 115.700 0.027 0.000 2.593 83 S HA 0.022 4.495 4.470 0.005 0.000 0.217 83 S C 0.936 175.543 174.600 0.012 0.000 0.966 83 S CA -0.069 58.146 58.200 0.024 0.000 0.914 83 S CB -1.102 62.106 63.200 0.012 0.000 0.776 83 S HN 0.542 nan 8.310 nan 0.000 0.523 84 T N -0.499 114.061 114.554 0.010 0.000 2.813 84 T HA 0.278 4.631 4.350 0.005 0.000 0.297 84 T C 1.007 175.780 174.700 0.121 0.000 1.036 84 T CA -0.645 61.475 62.100 0.033 0.000 1.044 84 T CB 0.907 69.822 68.868 0.079 0.000 0.993 84 T HN 0.305 nan 8.240 nan 0.000 0.535 85 R N 0.080 120.695 120.500 0.192 0.000 2.103 85 R HA -0.078 4.265 4.340 0.005 0.000 0.242 85 R C 1.960 178.369 176.300 0.181 0.000 1.142 85 R CA 1.620 57.825 56.100 0.176 0.000 0.960 85 R CB -0.498 29.920 30.300 0.196 0.000 0.858 85 R HN 0.782 nan 8.270 nan 0.000 0.439 86 L N -0.675 120.672 121.223 0.207 0.000 2.529 86 L HA 0.213 4.556 4.340 0.005 0.000 0.223 86 L C 1.048 178.081 176.870 0.272 0.000 1.113 86 L CA 0.421 55.405 54.840 0.241 0.000 0.861 86 L CB 0.283 42.425 42.059 0.140 0.000 1.012 86 L HN 0.591 nan 8.230 nan 0.000 0.461 87 G N 1.667 110.575 108.800 0.180 0.000 2.273 87 G HA2 -0.290 3.673 3.960 0.005 0.000 0.280 87 G HA3 -0.290 3.673 3.960 0.005 0.000 0.280 87 G C 0.136 175.070 174.900 0.056 0.000 1.047 87 G CA -0.101 45.075 45.100 0.126 0.000 0.869 87 G HN 0.319 nan 8.290 nan 0.000 0.502 88 I N 2.199 122.776 120.570 0.010 0.000 2.452 88 I HA 0.205 4.378 4.170 0.005 0.000 0.287 88 I C -1.157 174.771 176.117 -0.314 0.000 1.079 88 I CA -1.965 59.232 61.300 -0.172 0.000 1.387 88 I CB 0.834 38.799 38.000 -0.058 0.000 1.404 88 I HN 0.021 nan 8.210 nan 0.000 0.522 89 P HA 0.102 nan 4.420 nan 0.000 0.271 89 P C -0.789 176.310 177.300 -0.335 0.000 1.218 89 P CA -0.478 62.339 63.100 -0.471 0.000 0.780 89 P CB 1.016 32.339 31.700 -0.628 0.000 0.901 90 M N 2.548 122.028 119.600 -0.200 0.000 2.359 90 M HA 0.527 5.010 4.480 0.005 0.000 0.322 90 M C -0.352 175.916 176.300 -0.052 0.000 1.166 90 M CA -0.398 54.839 55.300 -0.104 0.000 1.067 90 M CB 0.705 33.282 32.600 -0.038 0.000 1.523 90 M HN 0.243 nan 8.290 nan 0.000 0.467 91 I N 2.153 122.729 120.570 0.010 0.000 2.362 91 I HA 0.404 4.577 4.170 0.005 0.000 0.289 91 I C -1.849 174.389 176.117 0.201 0.000 0.994 91 I CA -0.811 60.547 61.300 0.096 0.000 1.158 91 I CB 0.798 38.857 38.000 0.098 0.000 1.315 91 I HN 0.814 nan 8.210 nan 0.000 0.451 92 Y N 6.734 127.099 120.300 0.109 0.000 2.367 92 Y HA 0.630 5.183 4.550 0.005 0.000 0.342 92 Y C 0.381 176.336 175.900 0.092 0.000 0.979 92 Y CA -0.242 57.928 58.100 0.115 0.000 1.161 92 Y CB 1.315 39.846 38.460 0.119 0.000 1.155 92 Y HN 0.596 nan 8.280 nan 0.000 0.503 93 G N 6.166 114.855 108.800 -0.186 0.000 2.417 93 G HA2 0.637 4.600 3.960 0.005 0.000 0.334 93 G HA3 0.637 4.600 3.960 0.005 0.000 0.334 93 G C -1.788 172.701 174.900 -0.685 0.000 1.150 93 G CA -0.716 44.015 45.100 -0.615 0.000 0.923 93 G HN 0.762 nan 8.290 nan 0.000 0.485 94 I N -0.460 119.585 120.570 -0.875 0.000 3.004 94 I HA 0.284 4.457 4.170 0.005 0.000 0.305 94 I C -1.307 174.602 176.117 -0.347 0.000 1.312 94 I CA -1.001 60.095 61.300 -0.339 0.000 0.992 94 I CB 2.574 40.571 38.000 -0.005 0.000 1.282 94 I HN 0.366 nan 8.210 nan 0.000 0.449 95 D N 6.477 126.895 120.400 0.030 0.000 2.508 95 D HA 0.249 4.893 4.640 0.005 0.000 0.224 95 D C -0.151 176.105 176.300 -0.074 0.000 1.171 95 D CA 0.086 54.067 54.000 -0.032 0.000 1.006 95 D CB 1.058 41.739 40.800 -0.198 0.000 1.073 95 D HN 0.492 nan 8.370 nan 0.000 0.513 96 A N 2.245 125.000 122.820 -0.108 0.000 3.094 96 A HA 0.221 4.545 4.320 0.005 0.000 0.288 96 A C 1.428 178.971 177.584 -0.068 0.000 1.519 96 A CA -0.586 51.411 52.037 -0.068 0.000 1.227 96 A CB -0.268 18.674 19.000 -0.096 0.000 1.175 96 A HN 0.408 nan 8.150 nan 0.000 0.568 97 V N -1.030 118.848 119.914 -0.060 0.000 3.129 97 V HA 0.082 4.205 4.120 0.005 0.000 0.259 97 V C 0.802 176.932 176.094 0.059 0.000 1.116 97 V CA 1.730 63.984 62.300 -0.077 0.000 1.127 97 V CB -1.603 30.064 31.823 -0.260 0.000 0.742 97 V HN 0.971 nan 8.190 nan 0.000 0.474 98 H N -1.746 117.272 119.070 -0.085 0.000 3.080 98 H HA 0.647 5.207 4.556 0.005 0.000 0.211 98 H C 0.163 175.541 175.328 0.084 0.000 1.359 98 H CA -0.226 55.782 56.048 -0.066 0.000 1.322 98 H CB 0.189 29.817 29.762 -0.223 0.000 2.164 98 H HN 0.696 nan 8.280 nan 0.000 0.526 99 G N 1.215 110.052 108.800 0.062 0.000 2.462 99 G HA2 -0.226 3.737 3.960 0.005 0.000 0.685 99 G HA3 -0.226 3.737 3.960 0.005 0.000 0.685 99 G C -0.644 174.238 174.900 -0.030 0.000 1.295 99 G CA -0.537 44.617 45.100 0.091 0.000 0.941 99 G HN 0.476 nan 8.290 nan 0.000 0.554 100 Q N 0.706 120.469 119.800 -0.062 0.000 2.945 100 Q HA 0.203 4.546 4.340 0.005 0.000 0.323 100 Q C 1.926 177.869 176.000 -0.095 0.000 1.188 100 Q CA 0.984 56.722 55.803 -0.109 0.000 0.929 100 Q CB -1.198 27.438 28.738 -0.171 0.000 1.531 100 Q HN 0.725 nan 8.270 nan 0.000 0.444 101 N N -0.951 117.721 118.700 -0.046 0.000 2.476 101 N HA -0.286 4.458 4.740 0.005 0.000 0.196 101 N C 0.579 176.153 175.510 0.107 0.000 1.024 101 N CA 2.006 55.054 53.050 -0.002 0.000 0.909 101 N CB -0.232 38.319 38.487 0.106 0.000 0.947 101 N HN 0.495 nan 8.380 nan 0.000 0.450 102 N N -1.042 117.715 118.700 0.096 0.000 2.395 102 N HA 0.088 4.831 4.740 0.005 0.000 0.175 102 N C -0.625 174.977 175.510 0.153 0.000 1.029 102 N CA -0.031 53.127 53.050 0.181 0.000 0.897 102 N CB 0.480 39.101 38.487 0.224 0.000 0.991 102 N HN -0.014 nan 8.380 nan 0.000 0.441 103 V N 1.487 121.369 119.914 -0.053 0.000 2.649 103 V HA -0.006 4.117 4.120 0.005 0.000 0.292 103 V C -0.298 175.853 176.094 0.096 0.000 1.055 103 V CA -0.462 61.818 62.300 -0.034 0.000 1.023 103 V CB 0.456 32.051 31.823 -0.381 0.000 0.992 103 V HN 0.165 nan 8.190 nan 0.000 0.480 104 Y N 3.420 123.800 120.300 0.133 0.000 2.442 104 Y HA 0.468 5.021 4.550 0.005 0.000 0.330 104 Y C 1.189 177.115 175.900 0.044 0.000 1.129 104 Y CA 0.846 59.002 58.100 0.093 0.000 1.365 104 Y CB 0.678 39.212 38.460 0.123 0.000 1.233 104 Y HN 0.926 nan 8.280 nan 0.000 0.529 105 G N 3.265 111.652 108.800 -0.689 0.000 2.157 105 G HA2 -0.209 3.754 3.960 0.005 0.000 0.248 105 G HA3 -0.209 3.754 3.960 0.005 0.000 0.248 105 G C 0.071 174.835 174.900 -0.227 0.000 0.979 105 G CA -0.038 44.791 45.100 -0.452 0.000 0.650 105 G HN 1.206 nan 8.290 nan 0.000 0.529 106 A N 0.314 123.016 122.820 -0.196 0.000 2.354 106 A HA 0.701 5.024 4.320 0.005 0.000 0.269 106 A C 0.802 178.274 177.584 -0.187 0.000 1.109 106 A CA 0.786 52.733 52.037 -0.151 0.000 0.800 106 A CB 0.388 19.304 19.000 -0.140 0.000 1.045 106 A HN 0.833 nan 8.150 nan 0.000 0.489 107 T N 3.510 117.958 114.554 -0.177 0.000 2.817 107 T HA 0.262 4.616 4.350 0.005 0.000 0.295 107 T C 0.191 174.661 174.700 -0.382 0.000 0.958 107 T CA 0.334 62.245 62.100 -0.314 0.000 1.157 107 T CB -0.221 68.410 68.868 -0.393 0.000 0.898 107 T HN 0.333 nan 8.240 nan 0.000 0.536 108 I N 5.072 125.396 120.570 -0.411 0.000 2.307 108 I HA 0.310 4.483 4.170 0.005 0.000 0.287 108 I C 0.143 176.039 176.117 -0.368 0.000 1.054 108 I CA -0.840 60.209 61.300 -0.417 0.000 1.218 108 I CB -0.563 37.228 38.000 -0.348 0.000 1.398 108 I HN 0.495 nan 8.210 nan 0.000 0.475 109 F N 6.920 126.726 119.950 -0.240 0.000 2.390 109 F HA 0.361 4.891 4.527 0.005 0.000 0.307 109 F C -1.652 174.149 175.800 0.001 0.000 1.227 109 F CA -1.806 56.138 58.000 -0.095 0.000 1.179 109 F CB -0.340 38.618 39.000 -0.070 0.000 1.280 109 F HN 0.265 nan 8.300 nan 0.000 0.548 110 P HA 0.029 nan 4.420 nan 0.000 0.269 110 P C -0.441 176.958 177.300 0.164 0.000 1.215 110 P CA 0.159 63.377 63.100 0.196 0.000 0.780 110 P CB 0.352 32.164 31.700 0.185 0.000 0.898 111 H N 1.745 120.900 119.070 0.142 0.000 2.660 111 H HA 0.103 4.662 4.556 0.005 0.000 0.374 111 H C 1.417 176.742 175.328 -0.005 0.000 1.291 111 H CA 0.194 56.250 56.048 0.014 0.000 1.437 111 H CB 0.571 30.311 29.762 -0.036 0.000 1.509 111 H HN 0.391 nan 8.280 nan 0.000 0.614 112 N N 0.512 119.245 118.700 0.055 0.000 2.021 112 N HA -0.204 4.540 4.740 0.005 0.000 0.198 112 N C 2.068 177.516 175.510 -0.103 0.000 1.041 112 N CA 1.348 54.286 53.050 -0.188 0.000 0.862 112 N CB -0.753 37.354 38.487 -0.634 0.000 1.048 112 N HN 0.406 nan 8.380 nan 0.000 0.427 113 V N 0.969 120.810 119.914 -0.123 0.000 2.250 113 V HA -0.261 3.862 4.120 0.005 0.000 0.253 113 V C 2.085 177.891 176.094 -0.481 0.000 1.065 113 V CA 2.720 64.859 62.300 -0.268 0.000 1.039 113 V CB -1.194 30.477 31.823 -0.254 0.000 0.647 113 V HN 0.422 nan 8.190 nan 0.000 0.446 114 G N -0.748 107.838 108.800 -0.357 0.000 2.422 114 G HA2 -0.219 3.744 3.960 0.005 0.000 0.218 114 G HA3 -0.219 3.744 3.960 0.005 0.000 0.218 114 G C 1.556 176.394 174.900 -0.103 0.000 1.146 114 G CA 1.166 46.064 45.100 -0.337 0.000 0.769 114 G HN 0.567 nan 8.290 nan 0.000 0.547 115 L N 0.754 121.984 121.223 0.012 0.000 2.141 115 L HA 0.038 4.381 4.340 0.005 0.000 0.209 115 L C 3.125 180.030 176.870 0.059 0.000 1.094 115 L CA 0.810 55.699 54.840 0.081 0.000 0.763 115 L CB -0.544 41.617 42.059 0.170 0.000 0.908 115 L HN 0.321 nan 8.230 nan 0.000 0.437 116 G N -0.307 108.527 108.800 0.056 0.000 2.432 116 G HA2 -0.225 3.738 3.960 0.005 0.000 0.219 116 G HA3 -0.225 3.738 3.960 0.005 0.000 0.219 116 G C 1.714 176.599 174.900 -0.024 0.000 1.135 116 G CA 0.691 45.809 45.100 0.029 0.000 0.767 116 G HN 0.459 nan 8.290 nan 0.000 0.550 117 A N 0.693 123.468 122.820 -0.075 0.000 2.121 117 A HA 0.043 4.366 4.320 0.005 0.000 0.218 117 A C 2.540 180.166 177.584 0.070 0.000 1.154 117 A CA 2.304 54.349 52.037 0.012 0.000 0.679 117 A CB -0.696 18.348 19.000 0.072 0.000 0.795 117 A HN 0.514 nan 8.150 nan 0.000 0.458 118 T N -4.651 109.933 114.554 0.049 0.000 3.014 118 T HA -0.012 4.342 4.350 0.005 0.000 0.263 118 T C 1.127 175.847 174.700 0.034 0.000 1.078 118 T CA 0.609 62.740 62.100 0.052 0.000 1.135 118 T CB -0.153 68.739 68.868 0.041 0.000 0.895 118 T HN 0.434 nan 8.240 nan 0.000 0.480 119 R N 0.802 121.311 120.500 0.015 0.000 4.000 119 R HA -0.150 4.193 4.340 0.005 0.000 0.348 119 R C -0.676 175.625 176.300 0.001 0.000 1.204 119 R CA 1.172 57.273 56.100 0.003 0.000 0.987 119 R CB -2.592 27.719 30.300 0.019 0.000 1.446 119 R HN 0.581 nan 8.270 nan 0.000 0.555 120 D N 0.811 121.213 120.400 0.003 0.000 2.540 120 D HA 0.208 4.851 4.640 0.005 0.000 0.251 120 D C -1.029 175.269 176.300 -0.002 0.000 1.159 120 D CA -2.261 51.750 54.000 0.019 0.000 0.974 120 D CB 0.749 41.570 40.800 0.035 0.000 0.996 120 D HN 0.037 nan 8.370 nan 0.000 0.512 121 P HA -0.213 nan 4.420 nan 0.000 0.223 121 P C 1.099 178.396 177.300 -0.004 0.000 1.144 121 P CA 0.679 63.744 63.100 -0.058 0.000 0.783 121 P CB 0.123 31.782 31.700 -0.068 0.000 0.771 122 Y N 1.134 121.395 120.300 -0.065 0.000 2.286 122 Y HA -0.048 4.505 4.550 0.005 0.000 0.293 122 Y C 2.284 178.154 175.900 -0.051 0.000 1.124 122 Y CA 0.607 58.675 58.100 -0.054 0.000 1.178 122 Y CB -1.008 37.430 38.460 -0.037 0.000 1.010 122 Y HN -0.220 nan 8.280 nan 0.000 0.536 123 L N -0.513 120.613 121.223 -0.162 0.000 2.083 123 L HA -0.134 4.210 4.340 0.005 0.000 0.209 123 L C 2.107 178.841 176.870 -0.227 0.000 1.083 123 L CA 1.693 56.409 54.840 -0.206 0.000 0.752 123 L CB -0.933 41.086 42.059 -0.067 0.000 0.899 123 L HN 0.094 nan 8.230 nan 0.000 0.433 124 V N -0.071 119.737 119.914 -0.177 0.000 2.358 124 V HA -0.279 3.845 4.120 0.005 0.000 0.246 124 V C 2.640 178.600 176.094 -0.223 0.000 1.047 124 V CA 2.029 64.224 62.300 -0.176 0.000 1.035 124 V CB -0.751 30.978 31.823 -0.157 0.000 0.658 124 V HN 0.538 nan 8.190 nan 0.000 0.452 125 K N 0.128 120.389 120.400 -0.233 0.000 2.147 125 K HA -0.174 4.149 4.320 0.005 0.000 0.205 125 K C 2.308 178.741 176.600 -0.279 0.000 1.049 125 K CA 1.371 57.529 56.287 -0.216 0.000 0.936 125 K CB -0.057 32.355 32.500 -0.145 0.000 0.722 125 K HN 0.380 nan 8.250 nan 0.000 0.446 126 R N 0.066 120.330 120.500 -0.393 0.000 2.153 126 R HA 0.038 4.381 4.340 0.005 0.000 0.218 126 R C 2.245 178.370 176.300 -0.291 0.000 1.072 126 R CA 0.849 56.748 56.100 -0.335 0.000 0.990 126 R CB -0.085 29.984 30.300 -0.386 0.000 0.889 126 R HN 0.238 nan 8.270 nan 0.000 0.452 127 I N -0.097 120.254 120.570 -0.365 0.000 2.252 127 I HA -0.142 4.031 4.170 0.005 0.000 0.245 127 I C 2.477 178.262 176.117 -0.554 0.000 1.102 127 I CA 1.334 62.253 61.300 -0.635 0.000 1.385 127 I CB -0.521 37.069 38.000 -0.682 0.000 1.064 127 I HN 0.275 nan 8.210 nan 0.000 0.414 128 G N 0.554 109.146 108.800 -0.348 0.000 2.418 128 G HA2 -0.220 3.743 3.960 0.005 0.000 0.217 128 G HA3 -0.220 3.743 3.960 0.005 0.000 0.217 128 G C 1.482 176.253 174.900 -0.215 0.000 1.158 128 G CA 0.574 45.525 45.100 -0.248 0.000 0.771 128 G HN 0.423 nan 8.290 nan 0.000 0.545 129 E N 0.742 120.824 120.200 -0.196 0.000 2.077 129 E HA -0.060 4.293 4.350 0.005 0.000 0.193 129 E C 2.934 179.426 176.600 -0.179 0.000 0.989 129 E CA 0.751 57.066 56.400 -0.142 0.000 0.800 129 E CB -0.211 29.426 29.700 -0.105 0.000 0.746 129 E HN 0.416 nan 8.360 nan 0.000 0.452 130 A N 1.357 124.018 122.820 -0.264 0.000 1.835 130 A HA -0.196 4.127 4.320 0.005 0.000 0.215 130 A C 2.469 179.836 177.584 -0.362 0.000 1.199 130 A CA 2.120 53.901 52.037 -0.428 0.000 0.615 130 A CB -1.247 17.542 19.000 -0.352 0.000 0.838 130 A HN 0.195 nan 8.150 nan 0.000 0.444 131 T N 0.622 114.988 114.554 -0.314 0.000 2.751 131 T HA -0.200 4.153 4.350 0.005 0.000 0.268 131 T C 2.046 176.654 174.700 -0.152 0.000 1.045 131 T CA 1.889 63.866 62.100 -0.205 0.000 1.142 131 T CB -0.561 68.164 68.868 -0.238 0.000 0.851 131 T HN 0.656 nan 8.240 nan 0.000 0.474 132 A N 1.139 123.870 122.820 -0.147 0.000 1.877 132 A HA 0.004 4.327 4.320 0.005 0.000 0.216 132 A C 2.323 179.862 177.584 -0.074 0.000 1.186 132 A CA 1.267 53.247 52.037 -0.095 0.000 0.620 132 A CB -0.805 18.147 19.000 -0.080 0.000 0.822 132 A HN 0.495 nan 8.150 nan 0.000 0.443 133 L N -0.726 120.450 121.223 -0.078 0.000 2.017 133 L HA -0.212 4.132 4.340 0.005 0.000 0.208 133 L C 2.591 179.451 176.870 -0.017 0.000 1.073 133 L CA 1.751 56.578 54.840 -0.022 0.000 0.745 133 L CB -0.650 41.430 42.059 0.035 0.000 0.894 133 L HN 0.460 nan 8.230 nan 0.000 0.432 134 E N -0.482 119.685 120.200 -0.054 0.000 2.208 134 E HA -0.137 4.217 4.350 0.005 0.000 0.193 134 E C 2.259 178.810 176.600 -0.083 0.000 0.988 134 E CA 0.825 57.200 56.400 -0.041 0.000 0.828 134 E CB 0.124 29.801 29.700 -0.039 0.000 0.763 134 E HN 0.298 nan 8.360 nan 0.000 0.478 135 V N 1.000 120.860 119.914 -0.090 0.000 2.591 135 V HA -0.123 4.000 4.120 0.005 0.000 0.249 135 V C 2.159 178.209 176.094 -0.072 0.000 1.053 135 V CA 1.107 63.344 62.300 -0.104 0.000 1.068 135 V CB -0.229 31.540 31.823 -0.090 0.000 0.689 135 V HN 0.131 nan 8.190 nan 0.000 0.462 136 R N 0.264 120.738 120.500 -0.044 0.000 2.193 136 R HA 0.123 4.466 4.340 0.005 0.000 0.213 136 R C 2.205 178.497 176.300 -0.013 0.000 1.055 136 R CA 1.107 57.194 56.100 -0.020 0.000 0.995 136 R CB -0.720 29.574 30.300 -0.011 0.000 0.893 136 R HN 0.504 nan 8.270 nan 0.000 0.459 137 A N 0.562 123.370 122.820 -0.020 0.000 2.067 137 A HA -0.095 4.228 4.320 0.005 0.000 0.219 137 A C 1.713 179.291 177.584 -0.009 0.000 1.158 137 A CA 1.741 53.775 52.037 -0.006 0.000 0.661 137 A CB -0.338 18.661 19.000 -0.001 0.000 0.801 137 A HN 0.381 nan 8.150 nan 0.000 0.452 138 T N -5.280 109.245 114.554 -0.048 0.000 3.134 138 T HA 0.444 4.797 4.350 0.005 0.000 0.260 138 T C 1.280 175.999 174.700 0.031 0.000 1.027 138 T CA 0.934 63.015 62.100 -0.031 0.000 0.913 138 T CB 0.169 68.871 68.868 -0.276 0.000 1.046 138 T HN 1.554 nan 8.240 nan 0.000 0.553 139 G N 1.654 110.461 108.800 0.013 0.000 2.205 139 G HA2 -0.242 3.721 3.960 0.005 0.000 0.261 139 G HA3 -0.242 3.721 3.960 0.005 0.000 0.261 139 G C 0.078 174.976 174.900 -0.004 0.000 0.980 139 G CA 0.171 45.277 45.100 0.011 0.000 0.632 139 G HN 0.675 nan 8.290 nan 0.000 0.533 140 I N 0.294 120.863 120.570 -0.002 0.000 2.581 140 I HA 0.374 4.547 4.170 0.005 0.000 0.288 140 I C 1.219 177.372 176.117 0.060 0.000 1.047 140 I CA -0.074 61.261 61.300 0.059 0.000 1.374 140 I CB 1.379 39.437 38.000 0.096 0.000 1.423 140 I HN 0.118 nan 8.210 nan 0.000 0.549 141 Q N 4.032 123.900 119.800 0.113 0.000 2.149 141 Q HA 0.272 4.615 4.340 0.005 0.000 0.221 141 Q C -0.877 175.207 176.000 0.140 0.000 0.807 141 Q CA -0.019 55.835 55.803 0.085 0.000 1.000 141 Q CB 0.797 29.571 28.738 0.061 0.000 1.157 141 Q HN 0.625 nan 8.270 nan 0.000 0.487 142 Y N 0.332 120.603 120.300 -0.049 0.000 2.361 142 Y HA 0.693 5.247 4.550 0.006 0.000 0.328 142 Y C -1.639 174.102 175.900 -0.266 0.000 1.044 142 Y CA -1.513 56.516 58.100 -0.119 0.000 1.085 142 Y CB 1.186 39.598 38.460 -0.080 0.000 1.194 142 Y HN -0.004 nan 8.280 nan 0.000 0.438 143 A N 6.024 128.805 122.820 -0.065 0.000 2.318 143 A HA 0.502 4.825 4.320 0.005 0.000 0.324 143 A C -1.302 176.113 177.584 -0.282 0.000 1.170 143 A CA -0.650 51.217 52.037 -0.283 0.000 0.810 143 A CB 0.234 19.165 19.000 -0.115 0.000 1.198 143 A HN 0.867 nan 8.150 nan 0.000 0.484 144 F N 2.247 122.031 119.950 -0.278 0.000 2.705 144 F HA 0.407 4.938 4.527 0.006 0.000 0.355 144 F C 1.094 176.781 175.800 -0.188 0.000 1.172 144 F CA 0.519 58.361 58.000 -0.262 0.000 1.332 144 F CB -0.037 38.806 39.000 -0.262 0.000 1.621 144 F HN 0.689 nan 8.300 nan 0.000 0.605 145 A N 1.606 124.444 122.820 0.030 0.000 2.566 145 A HA 0.776 5.099 4.320 0.005 0.000 0.292 145 A C -2.859 174.723 177.584 -0.003 0.000 1.112 145 A CA -1.721 50.299 52.037 -0.028 0.000 0.707 145 A CB 1.810 20.775 19.000 -0.060 0.000 1.302 145 A HN 0.010 nan 8.150 nan 0.000 0.409 146 P HA 0.349 nan 4.420 nan 0.000 0.284 146 P C -0.436 176.818 177.300 -0.077 0.000 1.258 146 P CA -0.425 62.661 63.100 -0.023 0.000 0.824 146 P CB 1.387 33.133 31.700 0.075 0.000 1.038 147 C N 5.047 124.273 119.300 -0.123 0.000 2.416 147 C HA 0.385 4.848 4.460 0.005 0.000 0.355 147 C C 1.415 176.355 174.990 -0.082 0.000 1.211 147 C CA -0.613 58.321 59.018 -0.140 0.000 1.699 147 C CB -2.590 25.068 27.740 -0.137 0.000 2.310 147 C HN 0.485 nan 8.230 nan 0.000 0.539 148 I N 4.208 124.736 120.570 -0.069 0.000 3.555 148 I HA 0.472 4.646 4.170 0.005 0.000 0.343 148 I C 0.736 176.869 176.117 0.026 0.000 1.426 148 I CA -0.264 61.017 61.300 -0.032 0.000 1.157 148 I CB -0.517 37.361 38.000 -0.204 0.000 1.526 148 I HN 0.613 nan 8.210 nan 0.000 0.461 149 A N 1.393 124.286 122.820 0.121 0.000 2.322 149 A HA 0.625 4.948 4.320 0.005 0.000 0.269 149 A C 0.077 177.778 177.584 0.196 0.000 1.094 149 A CA -0.311 51.861 52.037 0.226 0.000 0.807 149 A CB 1.059 20.285 19.000 0.376 0.000 1.047 149 A HN 0.308 nan 8.150 nan 0.000 0.487 150 V N 2.461 122.501 119.914 0.209 0.000 2.257 150 V HA 0.115 4.239 4.120 0.005 0.000 0.269 150 V C 0.371 176.565 176.094 0.166 0.000 1.040 150 V CA -0.679 61.703 62.300 0.137 0.000 0.813 150 V CB 0.220 32.050 31.823 0.012 0.000 1.065 150 V HN 1.005 nan 8.190 nan 0.000 0.457 151 c N 6.479 125.206 118.600 0.212 0.000 2.590 151 c HA 0.145 4.718 4.570 0.005 0.000 0.411 151 c C 1.711 175.896 174.090 0.159 0.000 1.420 151 c CA 0.131 56.617 56.329 0.262 0.000 1.643 151 c CB -0.415 42.291 42.510 0.328 0.000 2.528 151 c HN 0.866 nan 8.230 nan 0.000 0.606 152 R N 2.322 122.900 120.500 0.130 0.000 2.446 152 R HA 0.262 4.605 4.340 0.005 0.000 0.254 152 R C -0.512 175.852 176.300 0.107 0.000 0.918 152 R CA 0.178 56.338 56.100 0.100 0.000 1.069 152 R CB 0.183 30.538 30.300 0.092 0.000 1.194 152 R HN 0.799 nan 8.270 nan 0.000 0.534 153 D N 0.458 120.934 120.400 0.128 0.000 2.375 153 D HA 0.151 4.794 4.640 0.005 0.000 0.241 153 D C -2.022 174.390 176.300 0.187 0.000 1.361 153 D CA -1.629 52.448 54.000 0.128 0.000 0.995 153 D CB 2.166 43.008 40.800 0.070 0.000 1.312 153 D HN -0.157 nan 8.370 nan 0.000 0.576 154 P HA -0.116 nan 4.420 nan 0.000 0.229 154 P C 0.929 178.322 177.300 0.155 0.000 1.150 154 P CA 0.411 63.630 63.100 0.197 0.000 0.765 154 P CB 0.347 32.194 31.700 0.245 0.000 0.783 155 R N -2.146 118.425 120.500 0.117 0.000 2.316 155 R HA -0.050 4.293 4.340 0.005 0.000 0.202 155 R C 0.754 177.124 176.300 0.115 0.000 1.029 155 R CA 0.049 56.184 56.100 0.059 0.000 1.018 155 R CB -0.355 29.953 30.300 0.014 0.000 0.888 155 R HN 0.240 nan 8.270 nan 0.000 0.471 156 W N 1.131 122.409 121.300 -0.038 0.000 2.356 156 W HA 0.151 4.814 4.660 0.005 0.000 0.311 156 W C 1.077 177.556 176.519 -0.067 0.000 1.328 156 W CA -1.101 56.216 57.345 -0.047 0.000 1.251 156 W CB 0.568 30.016 29.460 -0.019 0.000 1.280 156 W HN 0.040 nan 8.180 nan 0.000 0.524 157 G N 4.944 113.557 108.800 -0.312 0.000 2.653 157 G HA2 -0.197 3.766 3.960 0.005 0.000 0.212 157 G HA3 -0.197 3.766 3.960 0.005 0.000 0.212 157 G C 1.088 175.638 174.900 -0.583 0.000 1.138 157 G CA 0.241 45.077 45.100 -0.441 0.000 0.782 157 G HN 0.560 nan 8.290 nan 0.000 0.535 158 R N -1.007 118.704 120.500 -1.315 0.000 2.577 158 R HA 0.191 4.534 4.340 0.005 0.000 0.344 158 R C 1.337 176.933 176.300 -1.172 0.000 1.037 158 R CA -0.321 54.895 56.100 -1.473 0.000 1.102 158 R CB -0.339 28.816 30.300 -1.908 0.000 1.313 158 R HN 0.271 nan 8.270 nan 0.000 0.561 159 c N 1.241 119.491 118.600 -0.583 0.000 2.422 159 c HA -0.144 4.429 4.570 0.005 0.000 0.279 159 c C 2.431 176.441 174.090 -0.133 0.000 1.305 159 c CA 0.831 57.084 56.329 -0.127 0.000 1.757 159 c CB -0.726 41.838 42.510 0.091 0.000 1.962 159 c HN 0.678 nan 8.230 nan 0.000 0.499 160 Y N 0.789 121.015 120.300 -0.122 0.000 2.574 160 Y HA 0.094 4.647 4.550 0.005 0.000 0.294 160 Y C 1.750 177.518 175.900 -0.220 0.000 1.142 160 Y CA 1.143 59.149 58.100 -0.158 0.000 1.314 160 Y CB -1.244 37.087 38.460 -0.216 0.000 0.991 160 Y HN 0.375 nan 8.280 nan 0.000 0.555 161 E N 0.446 120.357 120.200 -0.483 0.000 2.437 161 E HA 0.079 4.433 4.350 0.005 0.000 0.189 161 E C -0.033 176.380 176.600 -0.312 0.000 1.054 161 E CA 0.144 56.325 56.400 -0.366 0.000 0.874 161 E CB 0.261 29.697 29.700 -0.440 0.000 1.011 161 E HN 0.242 nan 8.360 nan 0.000 0.474 162 S N -0.406 115.159 115.700 -0.226 0.000 2.498 162 S HA 0.195 4.668 4.470 0.005 0.000 0.317 162 S C 0.521 175.032 174.600 -0.149 0.000 1.090 162 S CA -0.640 57.474 58.200 -0.143 0.000 1.089 162 S CB 0.397 63.629 63.200 0.055 0.000 0.997 162 S HN 0.133 nan 8.310 nan 0.000 0.470 163 Y N 3.342 123.624 120.300 -0.031 0.000 2.151 163 Y HA -0.025 4.528 4.550 0.005 0.000 0.284 163 Y C 1.722 177.576 175.900 -0.077 0.000 1.166 163 Y CA 1.330 59.392 58.100 -0.063 0.000 1.163 163 Y CB 0.076 38.502 38.460 -0.056 0.000 0.974 163 Y HN 0.630 nan 8.280 nan 0.000 0.511 164 S N -1.908 113.861 115.700 0.116 0.000 2.727 164 S HA 0.175 4.648 4.470 0.005 0.000 0.278 164 S C 0.044 174.678 174.600 0.057 0.000 1.186 164 S CA -0.266 57.967 58.200 0.055 0.000 0.836 164 S CB 0.970 64.200 63.200 0.049 0.000 1.186 164 S HN 0.344 nan 8.310 nan 0.000 0.499 165 E N 0.261 120.487 120.200 0.043 0.000 2.489 165 E HA 0.171 4.525 4.350 0.005 0.000 0.204 165 E C -0.508 176.093 176.600 0.001 0.000 1.006 165 E CA -0.158 56.264 56.400 0.037 0.000 0.936 165 E CB 0.126 29.858 29.700 0.054 0.000 1.002 165 E HN 0.374 nan 8.360 nan 0.000 0.488 166 D N 1.656 122.059 120.400 0.005 0.000 2.443 166 D HA 0.057 4.700 4.640 0.005 0.000 0.221 166 D C 1.011 177.302 176.300 -0.015 0.000 1.097 166 D CA -0.495 53.496 54.000 -0.015 0.000 0.865 166 D CB 1.043 41.840 40.800 -0.004 0.000 1.034 166 D HN 0.116 nan 8.370 nan 0.000 0.511 167 R N 3.661 124.139 120.500 -0.036 0.000 2.133 167 R HA -0.185 4.158 4.340 0.005 0.000 0.247 167 R C 1.778 178.065 176.300 -0.023 0.000 1.151 167 R CA 1.291 57.373 56.100 -0.030 0.000 0.971 167 R CB -0.582 29.686 30.300 -0.053 0.000 0.866 167 R HN 0.287 nan 8.270 nan 0.000 0.447 168 R N 0.421 120.906 120.500 -0.025 0.000 2.119 168 R HA -0.093 4.250 4.340 0.005 0.000 0.246 168 R C 2.335 178.615 176.300 -0.033 0.000 1.146 168 R CA 2.231 58.316 56.100 -0.025 0.000 0.962 168 R CB -0.533 29.755 30.300 -0.020 0.000 0.863 168 R HN 0.330 nan 8.270 nan 0.000 0.442 169 I N -0.131 120.423 120.570 -0.027 0.000 2.202 169 I HA -0.236 3.937 4.170 0.005 0.000 0.242 169 I C 2.166 178.239 176.117 -0.073 0.000 1.091 169 I CA 1.040 62.317 61.300 -0.039 0.000 1.368 169 I CB -0.264 37.730 38.000 -0.010 0.000 1.058 169 I HN 0.003 nan 8.210 nan 0.000 0.410 170 V N 0.710 120.612 119.914 -0.022 0.000 2.490 170 V HA -0.282 3.841 4.120 0.005 0.000 0.250 170 V C 2.410 178.449 176.094 -0.091 0.000 1.061 170 V CA 1.698 63.997 62.300 -0.002 0.000 1.064 170 V CB -0.786 31.087 31.823 0.083 0.000 0.670 170 V HN 0.490 nan 8.190 nan 0.000 0.461 171 Q N 0.547 120.303 119.800 -0.073 0.000 1.990 171 Q HA -0.179 4.164 4.340 0.005 0.000 0.200 171 Q C 2.547 178.481 176.000 -0.111 0.000 0.980 171 Q CA 2.062 57.819 55.803 -0.076 0.000 0.832 171 Q CB -0.457 28.256 28.738 -0.043 0.000 0.897 171 Q HN 0.779 nan 8.270 nan 0.000 0.427 172 S N 0.454 116.088 115.700 -0.110 0.000 2.420 172 S HA -0.135 4.338 4.470 0.005 0.000 0.237 172 S C 1.826 176.314 174.600 -0.188 0.000 1.023 172 S CA 1.053 59.184 58.200 -0.116 0.000 0.991 172 S CB -0.135 63.010 63.200 -0.093 0.000 0.792 172 S HN 0.214 nan 8.310 nan 0.000 0.488 173 M N 2.431 121.841 119.600 -0.315 0.000 2.595 173 M HA 0.071 4.554 4.480 0.005 0.000 0.248 173 M C 2.030 178.059 176.300 -0.452 0.000 1.119 173 M CA 1.264 56.227 55.300 -0.562 0.000 1.079 173 M CB -1.630 30.226 32.600 -1.240 0.000 1.472 173 M HN 0.699 nan 8.290 nan 0.000 0.501 174 T N -2.457 111.945 114.554 -0.254 0.000 3.155 174 T HA -0.051 4.302 4.350 0.005 0.000 0.264 174 T C 1.372 176.003 174.700 -0.115 0.000 1.160 174 T CA 0.638 62.651 62.100 -0.144 0.000 1.075 174 T CB -0.217 68.590 68.868 -0.101 0.000 0.921 174 T HN 0.192 nan 8.240 nan 0.000 0.533 175 E N 0.645 120.762 120.200 -0.138 0.000 2.331 175 E HA -0.052 4.301 4.350 0.005 0.000 0.199 175 E C 1.787 178.331 176.600 -0.093 0.000 1.008 175 E CA 0.345 56.688 56.400 -0.096 0.000 0.843 175 E CB -0.350 29.298 29.700 -0.087 0.000 0.761 175 E HN 0.522 nan 8.360 nan 0.000 0.507 176 L N 0.615 121.775 121.223 -0.106 0.000 2.046 176 L HA -0.168 4.175 4.340 0.005 0.000 0.208 176 L C 2.097 178.928 176.870 -0.064 0.000 1.077 176 L CA 1.288 56.075 54.840 -0.087 0.000 0.747 176 L CB -0.304 41.731 42.059 -0.039 0.000 0.896 176 L HN 0.062 nan 8.230 nan 0.000 0.432 177 I N -0.068 120.476 120.570 -0.044 0.000 2.069 177 I HA -0.282 3.892 4.170 0.005 0.000 0.237 177 I C -0.310 175.797 176.117 -0.016 0.000 1.053 177 I CA 1.740 63.027 61.300 -0.021 0.000 1.311 177 I CB -1.815 36.179 38.000 -0.010 0.000 1.030 177 I HN 0.244 nan 8.210 nan 0.000 0.398 178 P HA -0.123 nan 4.420 nan 0.000 0.221 178 P C 1.450 178.742 177.300 -0.013 0.000 1.145 178 P CA 1.583 64.675 63.100 -0.013 0.000 0.795 178 P CB -0.196 31.483 31.700 -0.034 0.000 0.775 179 G N -0.615 108.159 108.800 -0.044 0.000 2.396 179 G HA2 -0.148 3.815 3.960 0.005 0.000 0.214 179 G HA3 -0.148 3.815 3.960 0.005 0.000 0.214 179 G C 1.410 176.270 174.900 -0.067 0.000 1.166 179 G CA 0.311 45.370 45.100 -0.068 0.000 0.793 179 G HN 0.223 nan 8.290 nan 0.000 0.533 180 L N -0.356 120.830 121.223 -0.062 0.000 2.131 180 L HA 0.026 4.369 4.340 0.005 0.000 0.206 180 L C 2.937 179.784 176.870 -0.039 0.000 1.087 180 L CA 0.929 55.734 54.840 -0.058 0.000 0.767 180 L CB -0.183 41.846 42.059 -0.050 0.000 0.917 180 L HN 0.258 nan 8.230 nan 0.000 0.441 181 Q N -0.538 119.253 119.800 -0.015 0.000 2.396 181 Q HA 0.270 4.613 4.340 0.005 0.000 0.209 181 Q C 0.675 176.684 176.000 0.015 0.000 0.906 181 Q CA 0.449 56.239 55.803 -0.022 0.000 0.927 181 Q CB 1.029 29.778 28.738 0.017 0.000 1.069 181 Q HN 0.454 nan 8.270 nan 0.000 0.523 182 G N 1.287 110.131 108.800 0.074 0.000 2.612 182 G HA2 -0.133 3.830 3.960 0.005 0.000 0.686 182 G HA3 -0.133 3.830 3.960 0.005 0.000 0.686 182 G C -1.566 173.453 174.900 0.198 0.000 1.274 182 G CA -0.881 44.303 45.100 0.140 0.000 0.849 182 G HN 0.051 nan 8.290 nan 0.000 0.595 183 D N -0.059 120.402 120.400 0.100 0.000 2.255 183 D HA 0.433 5.076 4.640 0.005 0.000 0.249 183 D C 1.156 177.246 176.300 -0.350 0.000 1.078 183 D CA 0.389 54.342 54.000 -0.078 0.000 0.896 183 D CB 1.858 42.613 40.800 -0.076 0.000 1.194 183 D HN 1.012 nan 8.370 nan 0.000 0.429 184 V N 0.297 119.793 119.914 -0.697 0.000 2.649 184 V HA 0.381 4.505 4.120 0.005 0.000 0.292 184 V C -2.274 173.402 176.094 -0.696 0.000 1.055 184 V CA -1.453 60.062 62.300 -1.308 0.000 1.023 184 V CB 0.347 31.083 31.823 -1.812 0.000 0.992 184 V HN 0.332 nan 8.190 nan 0.000 0.480 185 P HA 0.116 nan 4.420 nan 0.000 0.269 185 P C 0.530 177.777 177.300 -0.087 0.000 1.211 185 P CA -0.192 62.788 63.100 -0.200 0.000 0.781 185 P CB 0.467 32.112 31.700 -0.091 0.000 0.877 186 K N 2.242 122.618 120.400 -0.041 0.000 2.009 186 K HA -0.223 4.100 4.320 0.005 0.000 0.210 186 K C 1.275 177.893 176.600 0.030 0.000 1.049 186 K CA 2.555 58.836 56.287 -0.010 0.000 0.929 186 K CB -1.097 31.397 32.500 -0.010 0.000 0.714 186 K HN 0.619 nan 8.250 nan 0.000 0.440 187 D N -0.324 120.097 120.400 0.036 0.000 2.108 187 D HA -0.247 4.396 4.640 0.005 0.000 0.190 187 D C 0.438 176.783 176.300 0.076 0.000 0.995 187 D CA 0.901 54.924 54.000 0.039 0.000 0.834 187 D CB -0.751 40.064 40.800 0.026 0.000 0.967 187 D HN 0.193 nan 8.370 nan 0.000 0.446 188 F N 1.261 121.162 119.950 -0.081 0.000 1.879 188 F HA -0.211 4.319 4.527 0.005 0.000 0.423 188 F C -0.210 175.554 175.800 -0.060 0.000 0.680 188 F CA 0.500 58.446 58.000 -0.091 0.000 0.932 188 F CB -0.102 38.807 39.000 -0.151 0.000 0.793 188 F HN -0.010 nan 8.300 nan 0.000 0.546 189 T N 6.448 120.511 114.554 -0.819 0.000 2.806 189 T HA 0.285 4.638 4.350 0.005 0.000 0.290 189 T C -0.017 174.247 174.700 -0.727 0.000 0.966 189 T CA -0.069 61.688 62.100 -0.573 0.000 1.060 189 T CB 1.303 69.933 68.868 -0.397 0.000 0.927 189 T HN 0.802 nan 8.240 nan 0.000 0.485 190 S N 2.268 117.790 115.700 -0.296 0.000 2.515 190 S HA 0.398 4.871 4.470 0.005 0.000 0.285 190 S C 1.492 176.020 174.600 -0.121 0.000 1.265 190 S CA 0.790 58.919 58.200 -0.119 0.000 1.079 190 S CB -0.592 62.596 63.200 -0.021 0.000 0.877 190 S HN 1.175 nan 8.310 nan 0.000 0.493 191 G N 4.454 113.244 108.800 -0.017 0.000 2.278 191 G HA2 -0.178 3.786 3.960 0.005 0.000 0.210 191 G HA3 -0.178 3.786 3.960 0.005 0.000 0.210 191 G C 0.157 175.056 174.900 -0.002 0.000 1.000 191 G CA -0.070 45.063 45.100 0.055 0.000 0.635 191 G HN 0.625 nan 8.290 nan 0.000 0.495 192 M N 2.836 122.340 119.600 -0.160 0.000 2.217 192 M HA 0.325 4.808 4.480 0.005 0.000 0.354 192 M C -1.888 174.526 176.300 0.190 0.000 1.225 192 M CA -2.213 53.020 55.300 -0.113 0.000 1.137 192 M CB 0.456 32.881 32.600 -0.291 0.000 1.576 192 M HN 0.127 nan 8.290 nan 0.000 0.461 193 P HA 0.311 nan 4.420 nan 0.000 0.272 193 P C -1.236 176.280 177.300 0.360 0.000 1.230 193 P CA -0.069 63.146 63.100 0.191 0.000 0.788 193 P CB 0.890 32.598 31.700 0.013 0.000 0.949 194 F N 1.134 121.150 119.950 0.109 0.000 2.650 194 F HA 0.485 5.014 4.527 0.004 0.000 0.310 194 F C -1.991 173.806 175.800 -0.006 0.000 1.112 194 F CA -0.530 57.506 58.000 0.060 0.000 0.986 194 F CB 1.572 40.559 39.000 -0.021 0.000 1.285 194 F HN 0.093 nan 8.300 nan 0.000 0.440 195 V N 5.238 124.418 119.914 -1.224 0.000 2.737 195 V HA 0.458 4.582 4.120 0.005 0.000 0.298 195 V C 0.386 175.848 176.094 -1.052 0.000 1.163 195 V CA -0.245 61.522 62.300 -0.887 0.000 0.925 195 V CB 1.065 32.668 31.823 -0.367 0.000 1.037 195 V HN 1.088 nan 8.190 nan 0.000 0.433 196 A N 3.059 125.430 122.820 -0.748 0.000 1.940 196 A HA 0.470 4.793 4.320 0.005 0.000 0.219 196 A C 1.271 178.758 177.584 -0.163 0.000 1.176 196 A CA 2.103 53.951 52.037 -0.314 0.000 0.631 196 A CB -0.232 18.749 19.000 -0.031 0.000 0.814 196 A HN 1.907 nan 8.150 nan 0.000 0.446 197 G N -1.637 107.078 108.800 -0.142 0.000 2.399 197 G HA2 0.291 4.254 3.960 0.005 0.000 0.256 197 G HA3 0.291 4.254 3.960 0.005 0.000 0.256 197 G C 0.079 174.951 174.900 -0.046 0.000 1.236 197 G CA 0.001 45.060 45.100 -0.068 0.000 0.914 197 G HN 0.393 nan 8.290 nan 0.000 0.482 198 K N -0.481 119.910 120.400 -0.015 0.000 2.555 198 K HA 0.188 4.512 4.320 0.005 0.000 0.193 198 K C 0.750 177.347 176.600 -0.004 0.000 1.032 198 K CA 1.416 57.700 56.287 -0.004 0.000 1.004 198 K CB -0.066 32.442 32.500 0.014 0.000 0.804 198 K HN 0.225 nan 8.250 nan 0.000 0.496 199 N N -0.188 118.505 118.700 -0.011 0.000 2.171 199 N HA 0.092 4.835 4.740 0.005 0.000 0.212 199 N C -0.646 174.852 175.510 -0.020 0.000 1.184 199 N CA -0.184 52.862 53.050 -0.007 0.000 0.888 199 N CB 0.601 39.091 38.487 0.004 0.000 1.038 199 N HN -0.024 nan 8.380 nan 0.000 0.517 200 K N 0.361 120.738 120.400 -0.037 0.000 2.279 200 K HA 0.655 4.979 4.320 0.005 0.000 0.238 200 K C -0.545 176.025 176.600 -0.050 0.000 1.084 200 K CA -0.882 55.374 56.287 -0.051 0.000 0.885 200 K CB 1.668 34.124 32.500 -0.074 0.000 1.319 200 K HN -0.138 nan 8.250 nan 0.000 0.494 201 V N -2.969 116.915 119.914 -0.050 0.000 3.147 201 V HA 0.798 4.921 4.120 0.005 0.000 0.306 201 V C -0.651 175.427 176.094 -0.025 0.000 1.209 201 V CA -1.328 60.957 62.300 -0.025 0.000 1.023 201 V CB 1.575 33.397 31.823 -0.001 0.000 1.059 201 V HN 0.782 nan 8.190 nan 0.000 0.435 202 A N 1.839 124.651 122.820 -0.014 0.000 2.425 202 A HA 0.855 5.179 4.320 0.005 0.000 0.249 202 A C 0.518 178.161 177.584 0.098 0.000 1.084 202 A CA 0.336 52.337 52.037 -0.060 0.000 0.781 202 A CB 0.208 19.040 19.000 -0.280 0.000 1.019 202 A HN 2.351 nan 8.150 nan 0.000 0.490 203 A N 0.674 123.533 122.820 0.065 0.000 2.299 203 A HA 0.653 4.976 4.320 0.005 0.000 0.332 203 A C -0.296 177.409 177.584 0.202 0.000 1.131 203 A CA -0.167 51.947 52.037 0.130 0.000 0.844 203 A CB 0.977 20.008 19.000 0.052 0.000 1.251 203 A HN 1.931 nan 8.150 nan 0.000 0.486 204 C N 1.338 120.762 119.300 0.206 0.000 2.442 204 C HA 0.726 5.189 4.460 0.005 0.000 0.335 204 C C 0.270 175.297 174.990 0.061 0.000 1.134 204 C CA -0.048 59.090 59.018 0.200 0.000 1.344 204 C CB -0.385 27.582 27.740 0.379 0.000 1.956 204 C HN 1.313 nan 8.230 nan 0.000 0.438 205 A N 6.498 129.330 122.820 0.020 0.000 2.354 205 A HA 0.683 5.007 4.320 0.005 0.000 0.281 205 A C -0.138 177.470 177.584 0.039 0.000 1.174 205 A CA -0.114 51.904 52.037 -0.032 0.000 0.828 205 A CB 0.193 19.151 19.000 -0.070 0.000 1.099 205 A HN 0.975 nan 8.150 nan 0.000 0.516 206 K N 2.215 122.570 120.400 -0.074 0.000 2.512 206 K HA 0.666 4.989 4.320 0.005 0.000 0.263 206 K C -1.694 174.830 176.600 -0.127 0.000 0.966 206 K CA -0.933 55.246 56.287 -0.180 0.000 0.851 206 K CB 1.340 33.440 32.500 -0.665 0.000 1.395 206 K HN 0.652 nan 8.250 nan 0.000 0.440 207 H N 0.952 120.173 119.070 0.252 0.000 2.587 207 H HA 0.280 4.839 4.556 0.006 0.000 0.325 207 H C -1.443 174.013 175.328 0.213 0.000 1.012 207 H CA -0.636 55.534 56.048 0.203 0.000 1.213 207 H CB 0.759 30.595 29.762 0.124 0.000 1.431 207 H HN 0.480 nan 8.280 nan 0.000 0.492 208 F N 4.419 124.408 119.950 0.066 0.000 2.538 208 F HA 0.281 4.812 4.527 0.006 0.000 0.382 208 F C -0.228 175.475 175.800 -0.161 0.000 1.069 208 F CA 0.236 58.086 58.000 -0.250 0.000 1.138 208 F CB -0.043 38.699 39.000 -0.430 0.000 1.068 208 F HN 0.341 nan 8.300 nan 0.000 0.556 209 V N 5.635 125.179 119.914 -0.617 0.000 2.969 209 V HA 0.640 4.763 4.120 0.005 0.000 0.304 209 V C -0.060 175.746 176.094 -0.480 0.000 1.192 209 V CA 0.061 61.926 62.300 -0.725 0.000 0.962 209 V CB 1.577 32.468 31.823 -1.553 0.000 1.045 209 V HN 1.137 nan 8.190 nan 0.000 0.428 210 G N 4.599 113.205 108.800 -0.323 0.000 2.142 210 G HA2 -0.182 3.782 3.960 0.005 0.000 0.225 210 G HA3 -0.182 3.782 3.960 0.005 0.000 0.225 210 G C 0.259 174.899 174.900 -0.432 0.000 1.015 210 G CA 0.538 45.286 45.100 -0.586 0.000 0.716 210 G HN 1.183 nan 8.290 nan 0.000 0.508 211 D N 0.179 120.459 120.400 -0.200 0.000 2.218 211 D HA -0.001 4.642 4.640 0.005 0.000 0.204 211 D C 1.837 177.730 176.300 -0.679 0.000 0.976 211 D CA 1.227 55.092 54.000 -0.225 0.000 0.853 211 D CB -0.708 40.161 40.800 0.114 0.000 0.939 211 D HN 0.843 nan 8.370 nan 0.000 0.481 212 G N -0.365 108.171 108.800 -0.440 0.000 3.591 212 G HA2 0.407 4.371 3.960 0.005 0.000 0.282 212 G HA3 0.407 4.371 3.960 0.005 0.000 0.282 212 G C 0.794 175.540 174.900 -0.256 0.000 1.238 212 G CA -0.068 44.730 45.100 -0.504 0.000 0.993 212 G HN 0.428 nan 8.290 nan 0.000 0.542 213 G N 0.172 108.738 108.800 -0.389 0.000 4.165 213 G HA2 0.291 4.254 3.960 0.005 0.000 0.287 213 G HA3 0.291 4.254 3.960 0.005 0.000 0.287 213 G C 0.666 175.427 174.900 -0.233 0.000 1.019 213 G CA 0.332 45.312 45.100 -0.200 0.000 0.806 213 G HN 0.465 nan 8.290 nan 0.000 0.447 214 T N -1.482 112.861 114.554 -0.352 0.000 2.856 214 T HA 0.372 4.726 4.350 0.005 0.000 0.306 214 T C 0.638 175.244 174.700 -0.157 0.000 1.062 214 T CA -0.380 61.570 62.100 -0.250 0.000 1.083 214 T CB 2.119 70.806 68.868 -0.303 0.000 0.984 214 T HN 0.470 nan 8.240 nan 0.000 0.542 215 V N 2.905 122.760 119.914 -0.098 0.000 2.529 215 V HA 0.167 4.290 4.120 0.005 0.000 0.292 215 V C 0.278 176.341 176.094 -0.052 0.000 1.028 215 V CA 0.524 62.788 62.300 -0.060 0.000 1.074 215 V CB -0.955 30.841 31.823 -0.044 0.000 0.958 215 V HN 1.045 nan 8.190 nan 0.000 0.481 216 D N 4.060 124.439 120.400 -0.035 0.000 3.046 216 D HA -0.201 4.442 4.640 0.005 0.000 0.210 216 D C 1.094 177.391 176.300 -0.005 0.000 1.124 216 D CA 1.764 55.751 54.000 -0.021 0.000 0.986 216 D CB -1.489 39.298 40.800 -0.022 0.000 1.118 216 D HN 1.811 nan 8.370 nan 0.000 0.416 217 G N 0.254 109.031 108.800 -0.039 0.000 2.176 217 G HA2 -0.335 3.628 3.960 0.005 0.000 0.252 217 G HA3 -0.335 3.628 3.960 0.005 0.000 0.252 217 G C 0.332 175.274 174.900 0.071 0.000 1.024 217 G CA 0.287 45.376 45.100 -0.018 0.000 0.755 217 G HN 0.568 nan 8.290 nan 0.000 0.507 218 I N 0.966 121.537 120.570 0.001 0.000 2.517 218 I HA 0.038 4.211 4.170 0.005 0.000 0.285 218 I C 1.236 177.404 176.117 0.085 0.000 1.106 218 I CA -0.283 61.048 61.300 0.052 0.000 1.402 218 I CB 0.507 38.509 38.000 0.003 0.000 1.399 218 I HN 0.299 nan 8.210 nan 0.000 0.535 219 N N 6.215 125.068 118.700 0.255 0.000 2.407 219 N HA -0.089 4.654 4.740 0.005 0.000 0.250 219 N C 0.454 176.068 175.510 0.173 0.000 1.236 219 N CA 0.380 53.663 53.050 0.388 0.000 0.879 219 N CB 0.445 39.133 38.487 0.335 0.000 1.088 219 N HN 0.708 nan 8.380 nan 0.000 0.450 220 E N -0.912 119.403 120.200 0.191 0.000 3.760 220 E HA -0.389 3.965 4.350 0.005 0.000 0.317 220 E C 0.221 176.845 176.600 0.041 0.000 0.730 220 E CA 0.742 57.215 56.400 0.121 0.000 1.106 220 E CB -1.162 28.560 29.700 0.038 0.000 1.574 220 E HN 0.714 nan 8.360 nan 0.000 0.451 221 N N 0.753 119.449 118.700 -0.007 0.000 2.237 221 N HA -0.014 4.729 4.740 0.005 0.000 0.261 221 N C 0.196 175.684 175.510 -0.036 0.000 1.267 221 N CA 0.312 53.347 53.050 -0.025 0.000 0.901 221 N CB 0.234 38.697 38.487 -0.040 0.000 0.986 221 N HN 0.033 nan 8.380 nan 0.000 0.450 222 N N -1.065 117.609 118.700 -0.042 0.000 2.456 222 N HA 0.198 4.942 4.740 0.005 0.000 0.296 222 N C -1.764 173.711 175.510 -0.058 0.000 1.102 222 N CA -0.088 52.940 53.050 -0.037 0.000 0.924 222 N CB 1.259 39.727 38.487 -0.032 0.000 1.186 222 N HN 0.200 nan 8.380 nan 0.000 0.492 223 T N 3.675 118.210 114.554 -0.032 0.000 2.874 223 T HA 0.397 4.751 4.350 0.005 0.000 0.321 223 T C 0.084 174.803 174.700 0.032 0.000 1.075 223 T CA -0.370 61.714 62.100 -0.026 0.000 0.966 223 T CB -0.341 68.489 68.868 -0.064 0.000 1.001 223 T HN 0.377 nan 8.240 nan 0.000 0.476 224 I N 5.278 125.841 120.570 -0.011 0.000 2.281 224 I HA 0.540 4.713 4.170 0.005 0.000 0.293 224 I C -0.067 176.058 176.117 0.014 0.000 1.085 224 I CA -0.283 60.993 61.300 -0.040 0.000 1.257 224 I CB 0.128 38.096 38.000 -0.053 0.000 1.430 224 I HN 0.524 nan 8.210 nan 0.000 0.489 225 I N 5.232 125.835 120.570 0.056 0.000 2.984 225 I HA 0.327 4.500 4.170 0.005 0.000 0.303 225 I C -1.163 175.062 176.117 0.180 0.000 1.381 225 I CA -0.755 60.626 61.300 0.135 0.000 0.988 225 I CB 2.432 40.560 38.000 0.213 0.000 1.307 225 I HN 0.628 nan 8.210 nan 0.000 0.460 226 N N 4.148 122.939 118.700 0.151 0.000 2.483 226 N HA 0.258 5.001 4.740 0.005 0.000 0.269 226 N C 0.757 176.452 175.510 0.308 0.000 1.209 226 N CA -0.486 52.657 53.050 0.155 0.000 0.969 226 N CB 0.748 39.283 38.487 0.081 0.000 1.173 226 N HN 0.639 nan 8.380 nan 0.000 0.475 227 R N 0.137 120.850 120.500 0.355 0.000 2.103 227 R HA -0.283 4.061 4.340 0.005 0.000 0.242 227 R C 1.614 177.972 176.300 0.098 0.000 1.142 227 R CA 2.013 58.311 56.100 0.330 0.000 0.960 227 R CB -0.275 30.174 30.300 0.248 0.000 0.858 227 R HN 0.907 nan 8.270 nan 0.000 0.439 228 E N -0.971 119.277 120.200 0.080 0.000 2.023 228 E HA -0.168 4.185 4.350 0.005 0.000 0.196 228 E C 1.868 178.483 176.600 0.025 0.000 1.003 228 E CA 1.569 57.990 56.400 0.035 0.000 0.809 228 E CB -0.441 29.280 29.700 0.035 0.000 0.755 228 E HN 0.519 nan 8.360 nan 0.000 0.449 229 G N 2.118 110.950 108.800 0.053 0.000 2.442 229 G HA2 -0.247 3.716 3.960 0.005 0.000 0.219 229 G HA3 -0.247 3.716 3.960 0.005 0.000 0.219 229 G C 1.532 176.463 174.900 0.050 0.000 1.141 229 G CA 0.768 45.895 45.100 0.045 0.000 0.763 229 G HN 0.356 nan 8.290 nan 0.000 0.554 230 L N -0.120 121.150 121.223 0.077 0.000 2.093 230 L HA 0.074 4.417 4.340 0.005 0.000 0.208 230 L C 2.391 179.211 176.870 -0.083 0.000 1.085 230 L CA 1.604 56.461 54.840 0.029 0.000 0.755 230 L CB -0.545 41.401 42.059 -0.188 0.000 0.904 230 L HN 0.152 nan 8.230 nan 0.000 0.435 231 M N 0.928 120.460 119.600 -0.114 0.000 2.288 231 M HA -0.084 4.399 4.480 0.005 0.000 0.266 231 M C 1.638 177.910 176.300 -0.046 0.000 1.072 231 M CA 1.334 56.559 55.300 -0.125 0.000 1.132 231 M CB -1.240 31.278 32.600 -0.136 0.000 1.386 231 M HN 0.542 nan 8.290 nan 0.000 0.432 232 N N -0.001 118.677 118.700 -0.036 0.000 2.325 232 N HA 0.087 4.831 4.740 0.005 0.000 0.182 232 N C 1.266 176.738 175.510 -0.062 0.000 1.088 232 N CA 0.445 53.477 53.050 -0.030 0.000 0.879 232 N CB -0.065 38.409 38.487 -0.022 0.000 0.983 232 N HN 0.325 nan 8.380 nan 0.000 0.471 233 I N -0.498 120.005 120.570 -0.113 0.000 3.325 233 I HA 0.055 4.228 4.170 0.005 0.000 0.237 233 I C 1.364 177.320 176.117 -0.268 0.000 1.068 233 I CA 0.290 61.439 61.300 -0.252 0.000 1.511 233 I CB -0.189 37.535 38.000 -0.461 0.000 1.409 233 I HN 0.031 nan 8.210 nan 0.000 0.464 234 H N -0.243 118.807 119.070 -0.034 0.000 2.470 234 H HA -0.014 4.545 4.556 0.005 0.000 0.289 234 H C 1.755 177.121 175.328 0.063 0.000 1.033 234 H CA 1.018 57.060 56.048 -0.010 0.000 1.331 234 H CB 0.081 29.792 29.762 -0.086 0.000 1.414 234 H HN 0.188 nan 8.280 nan 0.000 0.545 235 M N 0.882 120.550 119.600 0.113 0.000 2.193 235 M HA 0.078 4.561 4.480 0.005 0.000 0.265 235 M C -1.106 175.351 176.300 0.261 0.000 1.071 235 M CA 0.564 55.968 55.300 0.175 0.000 1.140 235 M CB -0.513 32.099 32.600 0.021 0.000 1.369 235 M HN -0.022 nan 8.290 nan 0.000 0.423 236 P HA -0.287 nan 4.420 nan 0.000 0.221 236 P C 1.208 178.567 177.300 0.099 0.000 1.160 236 P CA 2.832 65.995 63.100 0.106 0.000 0.933 236 P CB -0.425 31.301 31.700 0.043 0.000 0.793 237 A N -2.199 120.651 122.820 0.050 0.000 1.948 237 A HA -0.270 4.053 4.320 0.005 0.000 0.220 237 A C 2.125 179.670 177.584 -0.065 0.000 1.177 237 A CA 1.842 53.852 52.037 -0.044 0.000 0.636 237 A CB -1.961 16.965 19.000 -0.124 0.000 0.815 237 A HN 0.224 nan 8.150 nan 0.000 0.449 238 Y N -0.358 119.983 120.300 0.068 0.000 2.181 238 Y HA -0.226 4.327 4.550 0.005 0.000 0.288 238 Y C 2.491 178.410 175.900 0.032 0.000 1.146 238 Y CA 1.877 60.009 58.100 0.054 0.000 1.164 238 Y CB -0.162 38.375 38.460 0.129 0.000 0.982 238 Y HN 0.284 nan 8.280 nan 0.000 0.515 239 K N 1.011 121.534 120.400 0.205 0.000 2.063 239 K HA -0.191 4.132 4.320 0.005 0.000 0.208 239 K C 1.325 177.972 176.600 0.079 0.000 1.048 239 K CA 2.070 58.432 56.287 0.125 0.000 0.928 239 K CB -0.523 32.047 32.500 0.116 0.000 0.713 239 K HN 0.304 nan 8.250 nan 0.000 0.442 240 N N 0.138 118.870 118.700 0.053 0.000 2.120 240 N HA -0.112 4.631 4.740 0.005 0.000 0.188 240 N C 1.576 177.102 175.510 0.027 0.000 1.024 240 N CA 1.513 54.578 53.050 0.024 0.000 0.852 240 N CB -0.400 38.081 38.487 -0.009 0.000 1.003 240 N HN 0.329 nan 8.380 nan 0.000 0.424 241 A N 0.593 123.422 122.820 0.015 0.000 2.019 241 A HA -0.104 4.219 4.320 0.005 0.000 0.219 241 A C 1.981 179.619 177.584 0.089 0.000 1.164 241 A CA 1.110 53.159 52.037 0.020 0.000 0.644 241 A CB -0.331 18.651 19.000 -0.031 0.000 0.805 241 A HN 0.120 nan 8.150 nan 0.000 0.449 242 M N 0.207 119.870 119.600 0.105 0.000 2.132 242 M HA -0.096 4.387 4.480 0.005 0.000 0.263 242 M C 1.296 177.716 176.300 0.200 0.000 1.065 242 M CA 1.317 56.710 55.300 0.154 0.000 1.122 242 M CB -1.395 31.269 32.600 0.106 0.000 1.365 242 M HN 0.405 nan 8.290 nan 0.000 0.411 243 D N 0.462 120.952 120.400 0.151 0.000 2.178 243 D HA -0.102 4.541 4.640 0.005 0.000 0.202 243 D C 1.480 177.903 176.300 0.206 0.000 0.974 243 D CA 0.970 55.078 54.000 0.179 0.000 0.841 243 D CB -0.226 40.631 40.800 0.095 0.000 0.953 243 D HN 0.416 nan 8.370 nan 0.000 0.478 244 K N 0.149 120.616 120.400 0.112 0.000 2.458 244 K HA 0.184 4.507 4.320 0.005 0.000 0.194 244 K C 0.840 177.443 176.600 0.004 0.000 1.024 244 K CA 0.252 56.545 56.287 0.010 0.000 1.108 244 K CB 0.578 33.074 32.500 -0.007 0.000 0.846 244 K HN 0.089 nan 8.250 nan 0.000 0.518 245 G N 2.221 111.154 108.800 0.222 0.000 2.246 245 G HA2 -0.247 3.717 3.960 0.005 0.000 0.273 245 G HA3 -0.247 3.717 3.960 0.005 0.000 0.273 245 G C 0.106 175.167 174.900 0.268 0.000 1.055 245 G CA 0.242 45.556 45.100 0.358 0.000 0.851 245 G HN 0.262 nan 8.290 nan 0.000 0.500 246 V N 0.131 120.169 119.914 0.207 0.000 2.694 246 V HA 0.329 4.452 4.120 0.005 0.000 0.306 246 V C 1.609 177.833 176.094 0.217 0.000 1.054 246 V CA 1.496 63.889 62.300 0.155 0.000 1.161 246 V CB 1.195 33.072 31.823 0.089 0.000 0.916 246 V HN 0.511 nan 8.190 nan 0.000 0.490 247 S N 3.227 118.987 115.700 0.101 0.000 2.414 247 S HA 0.041 4.515 4.470 0.005 0.000 0.227 247 S C 0.651 175.209 174.600 -0.071 0.000 1.022 247 S CA 1.027 59.222 58.200 -0.008 0.000 0.958 247 S CB -0.057 63.046 63.200 -0.161 0.000 0.797 247 S HN 1.094 nan 8.310 nan 0.000 0.493 248 T N -2.024 112.513 114.554 -0.029 0.000 2.812 248 T HA 0.723 5.076 4.350 0.005 0.000 0.294 248 T C -1.279 173.415 174.700 -0.010 0.000 1.159 248 T CA -0.754 61.319 62.100 -0.044 0.000 1.008 248 T CB 1.890 70.534 68.868 -0.372 0.000 1.289 248 T HN -0.175 nan 8.240 nan 0.000 0.514 249 V N 1.340 121.238 119.914 -0.027 0.000 2.655 249 V HA 0.488 4.611 4.120 0.005 0.000 0.301 249 V C -0.535 175.566 176.094 0.012 0.000 1.082 249 V CA -0.798 61.446 62.300 -0.093 0.000 0.899 249 V CB 1.788 33.362 31.823 -0.416 0.000 1.014 249 V HN 1.094 nan 8.190 nan 0.000 0.429 250 M N 5.305 124.924 119.600 0.031 0.000 2.277 250 M HA 0.575 5.058 4.480 0.005 0.000 0.350 250 M C -0.909 175.408 176.300 0.028 0.000 1.180 250 M CA -0.486 54.821 55.300 0.010 0.000 1.103 250 M CB 0.966 33.533 32.600 -0.055 0.000 1.577 250 M HN 0.452 nan 8.290 nan 0.000 0.459 251 I N 2.440 122.974 120.570 -0.060 0.000 2.532 251 I HA 0.191 4.364 4.170 0.005 0.000 0.292 251 I C 0.487 176.562 176.117 -0.071 0.000 1.014 251 I CA -0.005 61.221 61.300 -0.123 0.000 1.340 251 I CB 1.295 39.026 38.000 -0.449 0.000 1.422 251 I HN 0.689 nan 8.210 nan 0.000 0.528 252 S N 3.887 119.611 115.700 0.040 0.000 2.601 252 S HA 0.217 4.690 4.470 0.005 0.000 0.271 252 S C 0.962 175.695 174.600 0.222 0.000 1.305 252 S CA -0.005 58.262 58.200 0.113 0.000 1.022 252 S CB 0.475 63.739 63.200 0.107 0.000 0.940 252 S HN 0.417 nan 8.310 nan 0.000 0.525 253 Y N 2.131 122.558 120.300 0.212 0.000 2.314 253 Y HA -0.009 4.544 4.550 0.006 0.000 0.293 253 Y C 1.879 177.844 175.900 0.108 0.000 1.129 253 Y CA 0.548 58.751 58.100 0.171 0.000 1.201 253 Y CB -0.192 38.322 38.460 0.091 0.000 0.999 253 Y HN 0.711 nan 8.280 nan 0.000 0.541 254 S N 0.245 116.078 115.700 0.222 0.000 2.573 254 S HA 0.166 4.639 4.470 0.005 0.000 0.277 254 S C 0.102 174.756 174.600 0.089 0.000 1.346 254 S CA -0.833 57.423 58.200 0.094 0.000 1.034 254 S CB 1.267 64.456 63.200 -0.019 0.000 0.879 254 S HN 0.082 nan 8.310 nan 0.000 0.528 255 S N 0.690 116.430 115.700 0.067 0.000 2.722 255 S HA 0.567 5.040 4.470 0.005 0.000 0.292 255 S C -1.123 173.551 174.600 0.123 0.000 1.135 255 S CA -0.667 57.587 58.200 0.091 0.000 1.003 255 S CB 0.606 63.845 63.200 0.064 0.000 1.067 255 S HN 0.856 nan 8.310 nan 0.000 0.546 256 W N 2.383 123.634 121.300 -0.081 0.000 2.499 256 W HA 0.453 5.117 4.660 0.006 0.000 0.320 256 W C -0.492 175.982 176.519 -0.075 0.000 1.010 256 W CA -0.820 56.460 57.345 -0.108 0.000 1.267 256 W CB -0.331 29.043 29.460 -0.143 0.000 1.316 256 W HN 0.762 nan 8.180 nan 0.000 0.431 257 N N 3.995 122.456 118.700 -0.397 0.000 2.747 257 N HA -0.183 4.560 4.740 0.005 0.000 0.249 257 N C 0.892 176.246 175.510 -0.259 0.000 1.107 257 N CA 2.146 54.913 53.050 -0.471 0.000 0.707 257 N CB -1.404 36.569 38.487 -0.857 0.000 1.054 257 N HN 1.389 nan 8.380 nan 0.000 0.555 258 G N -2.627 106.093 108.800 -0.133 0.000 2.175 258 G HA2 -0.290 3.674 3.960 0.005 0.000 0.244 258 G HA3 -0.290 3.674 3.960 0.005 0.000 0.244 258 G C -0.097 174.788 174.900 -0.025 0.000 0.982 258 G CA 0.230 45.287 45.100 -0.070 0.000 0.641 258 G HN 0.488 nan 8.290 nan 0.000 0.527 259 V N 2.556 122.466 119.914 -0.007 0.000 2.370 259 V HA 0.409 4.532 4.120 0.005 0.000 0.283 259 V C 0.500 176.657 176.094 0.106 0.000 1.023 259 V CA -1.360 60.973 62.300 0.054 0.000 0.857 259 V CB 1.659 33.520 31.823 0.064 0.000 0.985 259 V HN 0.213 nan 8.190 nan 0.000 0.443 260 K N 5.258 125.723 120.400 0.109 0.000 2.453 260 K HA 0.084 4.407 4.320 0.005 0.000 0.280 260 K C 1.121 177.820 176.600 0.165 0.000 1.045 260 K CA -0.055 56.316 56.287 0.140 0.000 1.059 260 K CB 0.502 33.083 32.500 0.134 0.000 0.901 260 K HN 0.496 nan 8.250 nan 0.000 0.475 261 M N 2.045 121.752 119.600 0.179 0.000 2.195 261 M HA -0.168 4.315 4.480 0.005 0.000 0.260 261 M C 1.578 177.949 176.300 0.118 0.000 1.066 261 M CA 1.727 57.101 55.300 0.123 0.000 1.089 261 M CB -0.772 31.863 32.600 0.059 0.000 1.377 261 M HN 0.550 nan 8.290 nan 0.000 0.411 262 H N -1.324 117.784 119.070 0.063 0.000 2.545 262 H HA 0.089 4.649 4.556 0.005 0.000 0.282 262 H C 1.412 176.751 175.328 0.018 0.000 1.020 262 H CA 1.063 57.136 56.048 0.042 0.000 1.243 262 H CB 0.286 30.066 29.762 0.030 0.000 1.377 262 H HN 0.389 nan 8.280 nan 0.000 0.581 263 A N 0.396 123.298 122.820 0.136 0.000 2.382 263 A HA -0.008 4.315 4.320 0.005 0.000 0.228 263 A C 1.033 178.668 177.584 0.085 0.000 1.217 263 A CA -0.345 51.735 52.037 0.072 0.000 0.923 263 A CB 0.258 19.294 19.000 0.060 0.000 0.979 263 A HN 0.109 nan 8.150 nan 0.000 0.515 264 N N 1.586 120.350 118.700 0.107 0.000 2.605 264 N HA -0.035 4.708 4.740 0.005 0.000 0.282 264 N C 0.859 176.439 175.510 0.116 0.000 1.206 264 N CA 0.171 53.294 53.050 0.121 0.000 1.074 264 N CB 0.382 38.953 38.487 0.140 0.000 1.434 264 N HN 0.657 nan 8.380 nan 0.000 0.506 265 Q N 1.490 121.349 119.800 0.098 0.000 2.291 265 Q HA -0.182 4.162 4.340 0.005 0.000 0.206 265 Q C 0.745 176.808 176.000 0.105 0.000 0.976 265 Q CA 1.359 57.215 55.803 0.088 0.000 0.875 265 Q CB 0.206 28.985 28.738 0.069 0.000 0.927 265 Q HN 0.508 nan 8.270 nan 0.000 0.450 266 D N -0.180 120.295 120.400 0.124 0.000 2.123 266 D HA -0.104 4.539 4.640 0.005 0.000 0.200 266 D C 1.824 178.231 176.300 0.179 0.000 0.976 266 D CA 1.002 55.087 54.000 0.141 0.000 0.831 266 D CB -0.006 40.884 40.800 0.149 0.000 0.974 266 D HN 0.308 nan 8.370 nan 0.000 0.469 267 L N -0.444 120.891 121.223 0.188 0.000 2.049 267 L HA -0.054 4.289 4.340 0.005 0.000 0.203 267 L C 2.597 179.689 176.870 0.371 0.000 1.074 267 L CA 0.465 55.465 54.840 0.266 0.000 0.749 267 L CB -0.463 41.664 42.059 0.115 0.000 0.907 267 L HN -0.014 nan 8.230 nan 0.000 0.439 268 V N -0.440 119.638 119.914 0.274 0.000 2.237 268 V HA -0.280 3.843 4.120 0.005 0.000 0.245 268 V C 2.475 178.599 176.094 0.050 0.000 1.046 268 V CA 2.508 64.885 62.300 0.128 0.000 1.007 268 V CB -0.746 31.137 31.823 0.099 0.000 0.638 268 V HN 0.454 nan 8.190 nan 0.000 0.445 269 T N -0.133 114.467 114.554 0.076 0.000 2.755 269 T HA 0.043 4.396 4.350 0.005 0.000 0.251 269 T C 1.903 176.637 174.700 0.058 0.000 1.044 269 T CA 1.244 63.377 62.100 0.054 0.000 1.154 269 T CB -0.770 68.129 68.868 0.052 0.000 0.866 269 T HN 0.569 nan 8.240 nan 0.000 0.416 270 G N -0.094 108.759 108.800 0.089 0.000 2.491 270 G HA2 -0.248 3.715 3.960 0.005 0.000 0.218 270 G HA3 -0.248 3.715 3.960 0.005 0.000 0.218 270 G C 1.420 176.391 174.900 0.117 0.000 1.180 270 G CA 1.003 46.163 45.100 0.100 0.000 0.774 270 G HN 0.467 nan 8.290 nan 0.000 0.562 271 Y N 0.104 120.431 120.300 0.045 0.000 2.190 271 Y HA 0.224 4.777 4.550 0.006 0.000 0.290 271 Y C 2.537 178.437 175.900 0.001 0.000 1.115 271 Y CA 0.934 59.059 58.100 0.041 0.000 1.107 271 Y CB -0.581 37.924 38.460 0.075 0.000 1.033 271 Y HN 0.104 nan 8.280 nan 0.000 0.502 272 L N 1.009 122.219 121.223 -0.020 0.000 1.970 272 L HA -0.218 4.125 4.340 0.005 0.000 0.212 272 L C 2.059 178.838 176.870 -0.152 0.000 1.071 272 L CA 2.140 56.815 54.840 -0.274 0.000 0.751 272 L CB -0.806 40.864 42.059 -0.648 0.000 0.889 272 L HN 0.165 nan 8.230 nan 0.000 0.432 273 K N -0.874 119.493 120.400 -0.054 0.000 2.005 273 K HA -0.085 4.238 4.320 0.005 0.000 0.206 273 K C 1.793 178.370 176.600 -0.038 0.000 1.044 273 K CA 1.453 57.746 56.287 0.009 0.000 0.942 273 K CB -0.289 32.227 32.500 0.027 0.000 0.727 273 K HN 0.288 nan 8.250 nan 0.000 0.439 274 D N 0.011 120.385 120.400 -0.043 0.000 2.117 274 D HA -0.103 4.540 4.640 0.005 0.000 0.197 274 D C 1.792 178.039 176.300 -0.089 0.000 0.987 274 D CA 1.409 55.381 54.000 -0.047 0.000 0.829 274 D CB -0.217 40.575 40.800 -0.013 0.000 0.961 274 D HN 0.150 nan 8.370 nan 0.000 0.460 275 T N -0.012 114.438 114.554 -0.173 0.000 2.904 275 T HA 0.126 4.479 4.350 0.005 0.000 0.243 275 T C 2.037 176.567 174.700 -0.283 0.000 1.024 275 T CA 0.162 62.109 62.100 -0.254 0.000 1.158 275 T CB -0.215 68.391 68.868 -0.438 0.000 0.867 275 T HN 0.026 nan 8.240 nan 0.000 0.429 276 L N 0.599 121.594 121.223 -0.380 0.000 2.465 276 L HA 0.088 4.432 4.340 0.005 0.000 0.224 276 L C 0.406 177.218 176.870 -0.097 0.000 1.145 276 L CA 0.394 55.092 54.840 -0.238 0.000 0.834 276 L CB -0.339 41.576 42.059 -0.241 0.000 0.944 276 L HN 0.145 nan 8.230 nan 0.000 0.451 277 K N -0.006 120.342 120.400 -0.087 0.000 3.096 277 K HA -0.232 4.091 4.320 0.005 0.000 0.266 277 K C -0.265 176.341 176.600 0.009 0.000 1.043 277 K CA 0.529 56.787 56.287 -0.048 0.000 0.758 277 K CB -2.321 30.138 32.500 -0.068 0.000 1.260 277 K HN 0.142 nan 8.250 nan 0.000 0.481 278 F N 1.104 120.979 119.950 -0.124 0.000 2.504 278 F HA 0.146 4.677 4.527 0.005 0.000 0.369 278 F C 1.176 176.933 175.800 -0.072 0.000 1.082 278 F CA -0.238 57.701 58.000 -0.101 0.000 1.216 278 F CB 0.753 39.672 39.000 -0.134 0.000 1.108 278 F HN -0.086 nan 8.300 nan 0.000 0.554 279 K N 3.983 124.019 120.400 -0.605 0.000 2.374 279 K HA 0.315 4.638 4.320 0.005 0.000 0.202 279 K C 0.883 177.070 176.600 -0.688 0.000 1.040 279 K CA 0.281 56.261 56.287 -0.511 0.000 1.085 279 K CB 0.340 32.683 32.500 -0.262 0.000 0.873 279 K HN 0.739 nan 8.250 nan 0.000 0.539 280 G N -0.026 107.936 108.800 -1.397 0.000 2.494 280 G HA2 0.351 4.315 3.960 0.005 0.000 0.270 280 G HA3 0.351 4.315 3.960 0.005 0.000 0.270 280 G C -0.545 173.980 174.900 -0.626 0.000 1.423 280 G CA -0.510 44.067 45.100 -0.872 0.000 1.055 280 G HN 0.158 nan 8.290 nan 0.000 0.536 281 F N -1.448 118.430 119.950 -0.121 0.000 2.492 281 F HA 0.734 5.264 4.527 0.005 0.000 0.327 281 F C -0.595 175.380 175.800 0.293 0.000 1.079 281 F CA -1.952 56.081 58.000 0.055 0.000 0.967 281 F CB 1.622 40.635 39.000 0.022 0.000 1.169 281 F HN 0.227 nan 8.300 nan 0.000 0.472 282 V N 5.249 125.496 119.914 0.555 0.000 2.370 282 V HA 0.398 4.521 4.120 0.005 0.000 0.279 282 V C -0.124 176.171 176.094 0.335 0.000 1.029 282 V CA -0.710 61.814 62.300 0.374 0.000 0.870 282 V CB 1.251 33.202 31.823 0.213 0.000 0.984 282 V HN 0.897 nan 8.190 nan 0.000 0.451 283 I N 4.421 125.168 120.570 0.296 0.000 2.493 283 I HA 0.553 4.726 4.170 0.005 0.000 0.298 283 I C 0.877 177.030 176.117 0.059 0.000 0.998 283 I CA -0.137 61.292 61.300 0.215 0.000 1.137 283 I CB 2.201 40.409 38.000 0.346 0.000 1.310 283 I HN 0.809 nan 8.210 nan 0.000 0.445 284 S N 5.352 121.065 115.700 0.022 0.000 2.602 284 S HA 0.254 4.727 4.470 0.005 0.000 0.257 284 S C -0.202 174.408 174.600 0.017 0.000 1.250 284 S CA -0.392 57.820 58.200 0.020 0.000 0.986 284 S CB 0.981 64.253 63.200 0.120 0.000 1.040 284 S HN 0.714 nan 8.310 nan 0.000 0.562 285 D N -1.245 119.227 120.400 0.120 0.000 2.449 285 D HA 0.172 4.815 4.640 0.005 0.000 0.250 285 D C -0.922 175.441 176.300 0.106 0.000 1.050 285 D CA -0.783 53.198 54.000 -0.031 0.000 1.024 285 D CB 1.012 41.557 40.800 -0.426 0.000 1.218 285 D HN 0.690 nan 8.370 nan 0.000 0.566 286 W N 2.336 123.626 121.300 -0.017 0.000 2.804 286 W HA -0.016 4.647 4.660 0.005 0.000 0.360 286 W C 0.088 176.718 176.519 0.186 0.000 1.386 286 W CA 0.849 58.243 57.345 0.081 0.000 1.407 286 W CB -0.668 28.848 29.460 0.095 0.000 1.534 286 W HN 0.656 nan 8.180 nan 0.000 0.552 287 E N 1.601 121.883 120.200 0.138 0.000 2.971 287 E HA -0.257 4.096 4.350 0.005 0.000 0.278 287 E C 1.447 178.174 176.600 0.213 0.000 1.009 287 E CA 0.537 57.036 56.400 0.165 0.000 0.862 287 E CB -1.428 28.405 29.700 0.223 0.000 1.436 287 E HN 0.690 nan 8.360 nan 0.000 0.434 288 G N 1.196 110.110 108.800 0.189 0.000 2.450 288 G HA2 -0.216 3.747 3.960 0.005 0.000 0.220 288 G HA3 -0.216 3.747 3.960 0.005 0.000 0.220 288 G C 1.472 176.064 174.900 -0.514 0.000 1.130 288 G CA 1.063 46.094 45.100 -0.115 0.000 0.760 288 G HN 0.567 nan 8.290 nan 0.000 0.557 289 I N -1.578 118.898 120.570 -0.156 0.000 2.617 289 I HA 0.084 4.257 4.170 0.005 0.000 0.256 289 I C 1.448 177.509 176.117 -0.092 0.000 1.167 289 I CA 1.279 62.511 61.300 -0.114 0.000 1.469 289 I CB -0.124 37.840 38.000 -0.060 0.000 1.098 289 I HN -0.119 nan 8.210 nan 0.000 0.436 290 D N 1.767 122.173 120.400 0.011 0.000 2.183 290 D HA -0.080 4.563 4.640 0.005 0.000 0.203 290 D C 1.941 178.277 176.300 0.060 0.000 0.969 290 D CA 1.004 55.064 54.000 0.100 0.000 0.842 290 D CB -0.261 40.659 40.800 0.200 0.000 0.957 290 D HN 0.403 nan 8.370 nan 0.000 0.484 291 R N 0.268 120.780 120.500 0.020 0.000 2.328 291 R HA 0.190 4.533 4.340 0.005 0.000 0.200 291 R C 1.630 177.934 176.300 0.007 0.000 0.983 291 R CA 0.022 56.128 56.100 0.009 0.000 1.062 291 R CB -0.017 30.280 30.300 -0.006 0.000 0.956 291 R HN 0.292 nan 8.270 nan 0.000 0.479 292 I N 0.597 121.166 120.570 -0.003 0.000 2.286 292 I HA -0.150 4.023 4.170 0.005 0.000 0.245 292 I C 1.523 177.706 176.117 0.111 0.000 1.104 292 I CA 0.953 62.276 61.300 0.039 0.000 1.397 292 I CB -0.388 37.607 38.000 -0.009 0.000 1.072 292 I HN 0.204 nan 8.210 nan 0.000 0.417 293 T N -1.897 112.735 114.554 0.130 0.000 2.770 293 T HA 0.289 4.642 4.350 0.005 0.000 0.281 293 T C 0.092 174.845 174.700 0.087 0.000 0.981 293 T CA -0.426 61.763 62.100 0.149 0.000 0.955 293 T CB 1.843 70.817 68.868 0.176 0.000 1.060 293 T HN 0.137 nan 8.240 nan 0.000 0.531 294 T N 1.487 116.082 114.554 0.069 0.000 3.293 294 T HA 0.482 4.835 4.350 0.005 0.000 0.320 294 T C -2.665 172.056 174.700 0.035 0.000 0.995 294 T CA -1.144 60.981 62.100 0.043 0.000 1.041 294 T CB 0.684 69.570 68.868 0.031 0.000 1.058 294 T HN 0.806 nan 8.240 nan 0.000 0.453 295 P HA 0.462 nan 4.420 nan 0.000 0.272 295 P C -0.235 177.096 177.300 0.052 0.000 1.248 295 P CA -0.557 62.564 63.100 0.035 0.000 0.799 295 P CB 0.256 31.974 31.700 0.031 0.000 0.997 296 A N -0.566 122.284 122.820 0.050 0.000 2.388 296 A HA 0.479 4.803 4.320 0.005 0.000 0.257 296 A C 1.363 179.003 177.584 0.093 0.000 1.095 296 A CA 0.324 52.401 52.037 0.068 0.000 0.791 296 A CB -0.705 18.326 19.000 0.052 0.000 1.029 296 A HN 0.987 nan 8.150 nan 0.000 0.489 297 G N 0.911 109.794 108.800 0.137 0.000 2.189 297 G HA2 -0.317 3.647 3.960 0.005 0.000 0.267 297 G HA3 -0.317 3.647 3.960 0.005 0.000 0.267 297 G C 1.278 176.269 174.900 0.151 0.000 0.975 297 G CA 1.482 46.691 45.100 0.181 0.000 0.644 297 G HN 2.014 nan 8.290 nan 0.000 0.537 298 S N -0.996 114.775 115.700 0.118 0.000 2.469 298 S HA 0.147 4.620 4.470 0.005 0.000 0.238 298 S C 0.851 175.519 174.600 0.114 0.000 0.998 298 S CA 1.634 59.891 58.200 0.095 0.000 0.957 298 S CB 0.220 63.462 63.200 0.071 0.000 0.764 298 S HN 0.780 nan 8.310 nan 0.000 0.514 299 D N -0.740 119.758 120.400 0.164 0.000 3.118 299 D HA 0.166 4.809 4.640 0.005 0.000 0.259 299 D C -0.064 176.380 176.300 0.240 0.000 1.292 299 D CA -0.649 53.464 54.000 0.188 0.000 0.784 299 D CB -0.582 40.319 40.800 0.170 0.000 1.413 299 D HN 0.051 nan 8.370 nan 0.000 0.583 300 Y N 1.200 121.566 120.300 0.110 0.000 2.241 300 Y HA -0.209 4.344 4.550 0.005 0.000 0.286 300 Y C 2.233 178.212 175.900 0.131 0.000 1.166 300 Y CA 2.268 60.432 58.100 0.105 0.000 1.203 300 Y CB -0.008 38.495 38.460 0.073 0.000 0.977 300 Y HN 0.344 nan 8.280 nan 0.000 0.529 301 S N -1.135 114.705 115.700 0.233 0.000 2.382 301 S HA -0.275 4.198 4.470 0.005 0.000 0.228 301 S C 1.967 176.736 174.600 0.282 0.000 1.027 301 S CA 1.504 59.843 58.200 0.231 0.000 0.991 301 S CB -0.790 62.551 63.200 0.234 0.000 0.823 301 S HN 0.676 nan 8.310 nan 0.000 0.469 302 Y N 2.095 122.448 120.300 0.088 0.000 2.263 302 Y HA 0.070 4.623 4.550 0.006 0.000 0.292 302 Y C 2.457 178.361 175.900 0.007 0.000 1.130 302 Y CA 1.509 59.635 58.100 0.043 0.000 1.179 302 Y CB -0.857 37.622 38.460 0.031 0.000 0.998 302 Y HN 0.274 nan 8.280 nan 0.000 0.532 303 S N -0.504 115.066 115.700 -0.217 0.000 2.383 303 S HA -0.176 4.297 4.470 0.005 0.000 0.229 303 S C 2.147 176.573 174.600 -0.289 0.000 1.030 303 S CA 1.465 59.455 58.200 -0.351 0.000 1.002 303 S CB -0.679 62.317 63.200 -0.340 0.000 0.829 303 S HN 0.327 nan 8.310 nan 0.000 0.467 304 V N 1.813 121.599 119.914 -0.212 0.000 2.283 304 V HA -0.140 3.983 4.120 0.005 0.000 0.243 304 V C 2.409 178.511 176.094 0.014 0.000 1.039 304 V CA 1.739 64.016 62.300 -0.037 0.000 1.016 304 V CB -0.538 31.293 31.823 0.014 0.000 0.650 304 V HN 0.414 nan 8.190 nan 0.000 0.449 305 K N 0.445 120.856 120.400 0.018 0.000 1.991 305 K HA -0.222 4.101 4.320 0.005 0.000 0.212 305 K C 2.210 178.739 176.600 -0.117 0.000 1.049 305 K CA 1.881 58.117 56.287 -0.085 0.000 0.932 305 K CB -0.457 31.926 32.500 -0.194 0.000 0.717 305 K HN 0.389 nan 8.250 nan 0.000 0.441 306 A N 0.786 123.447 122.820 -0.265 0.000 1.908 306 A HA -0.194 4.129 4.320 0.005 0.000 0.218 306 A C 2.190 179.689 177.584 -0.143 0.000 1.181 306 A CA 2.433 54.293 52.037 -0.294 0.000 0.627 306 A CB -0.846 17.680 19.000 -0.791 0.000 0.818 306 A HN 0.624 nan 8.150 nan 0.000 0.445 307 S N -0.330 115.297 115.700 -0.122 0.000 2.357 307 S HA -0.068 4.405 4.470 0.005 0.000 0.221 307 S C 1.834 176.447 174.600 0.022 0.000 1.031 307 S CA 1.216 59.408 58.200 -0.013 0.000 0.982 307 S CB -0.501 62.713 63.200 0.024 0.000 0.853 307 S HN 0.291 nan 8.310 nan 0.000 0.458 308 I N 2.304 122.893 120.570 0.032 0.000 2.286 308 I HA -0.045 4.129 4.170 0.005 0.000 0.248 308 I C 2.417 178.554 176.117 0.034 0.000 1.115 308 I CA 1.044 62.377 61.300 0.055 0.000 1.392 308 I CB -1.394 36.652 38.000 0.076 0.000 1.065 308 I HN 0.340 nan 8.210 nan 0.000 0.418 309 L N 0.440 121.670 121.223 0.012 0.000 2.217 309 L HA -0.084 4.259 4.340 0.005 0.000 0.211 309 L C 2.691 179.576 176.870 0.024 0.000 1.107 309 L CA 0.835 55.683 54.840 0.013 0.000 0.783 309 L CB -0.612 41.447 42.059 -0.001 0.000 0.919 309 L HN 0.151 nan 8.230 nan 0.000 0.442 310 A N -0.157 122.678 122.820 0.025 0.000 2.019 310 A HA 0.010 4.333 4.320 0.005 0.000 0.219 310 A C 1.900 179.512 177.584 0.048 0.000 1.164 310 A CA 1.653 53.715 52.037 0.041 0.000 0.644 310 A CB -0.448 18.578 19.000 0.043 0.000 0.805 310 A HN 0.542 nan 8.150 nan 0.000 0.449 311 G N -3.085 105.741 108.800 0.043 0.000 2.273 311 G HA2 -0.048 3.916 3.960 0.005 0.000 0.162 311 G HA3 -0.048 3.916 3.960 0.005 0.000 0.162 311 G C -0.142 174.792 174.900 0.056 0.000 1.006 311 G CA -0.142 44.987 45.100 0.047 0.000 0.704 311 G HN 0.291 nan 8.290 nan 0.000 0.487 312 L N 1.942 123.197 121.223 0.054 0.000 2.490 312 L HA 0.357 4.700 4.340 0.005 0.000 0.274 312 L C 1.114 178.032 176.870 0.080 0.000 1.201 312 L CA 0.675 55.554 54.840 0.065 0.000 0.869 312 L CB 0.667 42.756 42.059 0.049 0.000 1.123 312 L HN 0.100 nan 8.230 nan 0.000 0.484 313 D N 1.604 122.064 120.400 0.101 0.000 2.380 313 D HA 0.128 4.772 4.640 0.005 0.000 0.212 313 D C 0.355 176.671 176.300 0.027 0.000 1.021 313 D CA 0.713 54.760 54.000 0.079 0.000 0.884 313 D CB 0.576 41.448 40.800 0.120 0.000 1.001 313 D HN 0.396 nan 8.370 nan 0.000 0.506 314 M N 1.065 120.685 119.600 0.034 0.000 2.378 314 M HA 0.311 4.794 4.480 0.005 0.000 0.289 314 M C -2.055 174.218 176.300 -0.045 0.000 1.136 314 M CA -0.606 54.671 55.300 -0.039 0.000 0.917 314 M CB 2.587 35.103 32.600 -0.140 0.000 1.669 314 M HN -0.356 nan 8.290 nan 0.000 0.461 315 I N 4.823 125.291 120.570 -0.170 0.000 2.404 315 I HA 0.331 4.504 4.170 0.005 0.000 0.293 315 I C -0.298 175.636 176.117 -0.306 0.000 0.992 315 I CA -0.455 60.667 61.300 -0.297 0.000 1.149 315 I CB 1.695 39.281 38.000 -0.689 0.000 1.315 315 I HN 0.898 nan 8.210 nan 0.000 0.446 316 M N 6.944 126.420 119.600 -0.205 0.000 2.923 316 M HA 0.152 4.635 4.480 0.005 0.000 0.311 316 M C 0.474 176.591 176.300 -0.305 0.000 1.376 316 M CA -0.189 54.982 55.300 -0.215 0.000 1.468 316 M CB 0.274 32.795 32.600 -0.132 0.000 1.151 316 M HN 0.507 nan 8.290 nan 0.000 0.517 317 V N 5.116 124.822 119.914 -0.346 0.000 2.222 317 V HA -0.194 3.929 4.120 0.005 0.000 0.252 317 V C -0.952 174.925 176.094 -0.361 0.000 1.060 317 V CA 2.177 64.303 62.300 -0.289 0.000 1.027 317 V CB -1.611 30.096 31.823 -0.193 0.000 0.644 317 V HN 0.730 nan 8.190 nan 0.000 0.448 318 P HA 0.143 nan 4.420 nan 0.000 0.291 318 P C 0.571 177.679 177.300 -0.321 0.000 1.341 318 P CA 0.493 63.268 63.100 -0.543 0.000 0.999 318 P CB 0.302 31.387 31.700 -1.026 0.000 1.501 319 N N 0.429 118.974 118.700 -0.258 0.000 2.591 319 N HA 0.102 4.846 4.740 0.005 0.000 0.200 319 N C 0.399 175.830 175.510 -0.131 0.000 1.040 319 N CA 0.014 52.990 53.050 -0.124 0.000 0.911 319 N CB 0.243 38.661 38.487 -0.115 0.000 1.259 319 N HN -0.032 nan 8.380 nan 0.000 0.438 320 K N 2.262 122.544 120.400 -0.197 0.000 2.307 320 K HA 0.047 4.370 4.320 0.005 0.000 0.240 320 K C -0.052 176.413 176.600 -0.226 0.000 1.214 320 K CA -0.183 55.926 56.287 -0.297 0.000 1.149 320 K CB -0.129 32.186 32.500 -0.309 0.000 1.668 320 K HN 0.441 nan 8.250 nan 0.000 0.314 321 Y N -0.783 119.495 120.300 -0.038 0.000 2.314 321 Y HA -0.109 4.445 4.550 0.006 0.000 0.293 321 Y C 2.061 178.010 175.900 0.082 0.000 1.129 321 Y CA 0.561 58.695 58.100 0.056 0.000 1.201 321 Y CB -0.379 38.092 38.460 0.019 0.000 0.999 321 Y HN 0.328 nan 8.280 nan 0.000 0.541 322 Q N 0.595 120.193 119.800 -0.337 0.000 2.084 322 Q HA -0.281 4.062 4.340 0.005 0.000 0.202 322 Q C 2.470 178.434 176.000 -0.060 0.000 0.978 322 Q CA 1.991 57.727 55.803 -0.112 0.000 0.844 322 Q CB -0.097 28.479 28.738 -0.269 0.000 0.898 322 Q HN 0.783 nan 8.270 nan 0.000 0.426 323 Q N -0.507 119.215 119.800 -0.130 0.000 1.993 323 Q HA -0.212 4.131 4.340 0.005 0.000 0.202 323 Q C 1.927 177.941 176.000 0.022 0.000 0.984 323 Q CA 1.607 57.341 55.803 -0.115 0.000 0.837 323 Q CB -0.354 28.211 28.738 -0.288 0.000 0.902 323 Q HN 0.411 nan 8.270 nan 0.000 0.423 324 F N 1.275 121.236 119.950 0.018 0.000 2.063 324 F HA -0.271 4.259 4.527 0.005 0.000 0.298 324 F C 1.832 177.711 175.800 0.133 0.000 1.109 324 F CA 1.903 60.053 58.000 0.250 0.000 1.212 324 F CB -0.378 38.759 39.000 0.228 0.000 0.973 324 F HN 0.139 nan 8.300 nan 0.000 0.480 325 I N -0.854 119.662 120.570 -0.091 0.000 2.315 325 I HA -0.273 3.900 4.170 0.005 0.000 0.248 325 I C 2.716 178.731 176.117 -0.170 0.000 1.117 325 I CA 1.374 62.566 61.300 -0.181 0.000 1.404 325 I CB -0.812 37.223 38.000 0.057 0.000 1.071 325 I HN 0.254 nan 8.210 nan 0.000 0.419 326 S N 1.210 116.852 115.700 -0.098 0.000 2.345 326 S HA -0.133 4.340 4.470 0.005 0.000 0.220 326 S C 2.144 176.649 174.600 -0.158 0.000 1.031 326 S CA 1.075 59.219 58.200 -0.095 0.000 0.996 326 S CB -0.115 63.048 63.200 -0.061 0.000 0.882 326 S HN 0.233 nan 8.310 nan 0.000 0.445 327 I N 1.584 122.049 120.570 -0.175 0.000 2.208 327 I HA -0.122 4.051 4.170 0.005 0.000 0.245 327 I C 2.388 178.223 176.117 -0.471 0.000 1.097 327 I CA 1.105 62.237 61.300 -0.281 0.000 1.363 327 I CB -1.301 36.627 38.000 -0.119 0.000 1.051 327 I HN 0.386 nan 8.210 nan 0.000 0.413 328 L N 0.635 121.602 121.223 -0.426 0.000 2.109 328 L HA -0.108 4.235 4.340 0.005 0.000 0.207 328 L C 2.446 179.187 176.870 -0.214 0.000 1.086 328 L CA 1.903 56.527 54.840 -0.360 0.000 0.760 328 L CB -1.086 40.644 42.059 -0.550 0.000 0.910 328 L HN 0.143 nan 8.230 nan 0.000 0.437 329 T N -0.413 114.021 114.554 -0.201 0.000 2.720 329 T HA -0.116 4.237 4.350 0.005 0.000 0.268 329 T C 1.720 176.369 174.700 -0.084 0.000 1.037 329 T CA 1.267 63.297 62.100 -0.116 0.000 1.144 329 T CB -0.911 67.902 68.868 -0.092 0.000 0.864 329 T HN 0.574 nan 8.240 nan 0.000 0.444 330 G N 0.909 109.636 108.800 -0.121 0.000 2.511 330 G HA2 -0.266 3.697 3.960 0.005 0.000 0.216 330 G HA3 -0.266 3.697 3.960 0.005 0.000 0.216 330 G C 1.171 176.081 174.900 0.017 0.000 1.218 330 G CA 0.960 46.015 45.100 -0.075 0.000 0.788 330 G HN 0.621 nan 8.290 nan 0.000 0.560 331 H N -0.505 118.544 119.070 -0.036 0.000 2.394 331 H HA -0.106 4.453 4.556 0.005 0.000 0.297 331 H C 2.678 177.990 175.328 -0.027 0.000 1.113 331 H CA 0.815 56.847 56.048 -0.027 0.000 1.277 331 H CB 0.142 29.883 29.762 -0.034 0.000 1.370 331 H HN 0.258 nan 8.280 nan 0.000 0.506 332 V N 0.859 120.823 119.914 0.084 0.000 2.407 332 V HA -0.180 3.943 4.120 0.005 0.000 0.245 332 V C 1.844 177.951 176.094 0.021 0.000 1.041 332 V CA 1.348 63.668 62.300 0.033 0.000 1.040 332 V CB -0.252 31.572 31.823 0.000 0.000 0.671 332 V HN 0.481 nan 8.190 nan 0.000 0.455 333 N N 1.157 119.865 118.700 0.014 0.000 2.289 333 N HA -0.102 4.642 4.740 0.005 0.000 0.184 333 N C 1.734 177.255 175.510 0.019 0.000 1.016 333 N CA 1.501 54.556 53.050 0.008 0.000 0.872 333 N CB -0.367 38.119 38.487 -0.001 0.000 0.973 333 N HN 0.536 nan 8.380 nan 0.000 0.433 334 G N -1.305 107.519 108.800 0.039 0.000 2.939 334 G HA2 0.265 4.228 3.960 0.005 0.000 0.210 334 G HA3 0.265 4.228 3.960 0.005 0.000 0.210 334 G C 1.027 175.942 174.900 0.026 0.000 1.160 334 G CA 0.505 45.628 45.100 0.040 0.000 0.770 334 G HN 0.424 nan 8.290 nan 0.000 0.543 335 G N -0.577 108.236 108.800 0.023 0.000 2.179 335 G HA2 -0.358 3.605 3.960 0.005 0.000 0.260 335 G HA3 -0.358 3.605 3.960 0.005 0.000 0.260 335 G C 1.313 176.214 174.900 0.002 0.000 0.977 335 G CA 0.681 45.788 45.100 0.010 0.000 0.641 335 G HN 0.526 nan 8.290 nan 0.000 0.533 336 V N 0.361 120.275 119.914 -0.000 0.000 2.287 336 V HA 0.047 4.171 4.120 0.005 0.000 0.248 336 V C 1.679 177.747 176.094 -0.043 0.000 1.053 336 V CA 2.017 64.291 62.300 -0.043 0.000 1.027 336 V CB -0.221 31.531 31.823 -0.117 0.000 0.646 336 V HN 0.505 nan 8.190 nan 0.000 0.447 337 I N 2.681 123.243 120.570 -0.013 0.000 2.362 337 I HA 0.314 4.488 4.170 0.005 0.000 0.289 337 I C -2.312 173.809 176.117 0.007 0.000 0.994 337 I CA -2.043 59.256 61.300 -0.002 0.000 1.158 337 I CB 1.986 40.000 38.000 0.023 0.000 1.315 337 I HN 0.130 nan 8.210 nan 0.000 0.451 338 P HA 0.075 nan 4.420 nan 0.000 0.271 338 P C 0.471 177.772 177.300 0.001 0.000 1.216 338 P CA -0.394 62.707 63.100 0.001 0.000 0.776 338 P CB 1.094 32.795 31.700 0.000 0.000 0.881 339 M N 2.180 121.779 119.600 -0.003 0.000 2.202 339 M HA -0.126 4.357 4.480 0.005 0.000 0.262 339 M C 2.054 178.350 176.300 -0.006 0.000 1.063 339 M CA 2.004 57.300 55.300 -0.007 0.000 1.097 339 M CB -1.667 30.927 32.600 -0.011 0.000 1.382 339 M HN 0.486 nan 8.290 nan 0.000 0.413 340 S N -0.122 115.575 115.700 -0.005 0.000 2.400 340 S HA -0.214 4.259 4.470 0.005 0.000 0.232 340 S C 1.953 176.553 174.600 -0.002 0.000 1.025 340 S CA 1.374 59.571 58.200 -0.005 0.000 0.993 340 S CB -0.507 62.691 63.200 -0.004 0.000 0.808 340 S HN 0.364 nan 8.310 nan 0.000 0.478 341 R N 1.664 122.166 120.500 0.003 0.000 2.061 341 R HA 0.098 4.442 4.340 0.005 0.000 0.230 341 R C 2.154 178.461 176.300 0.011 0.000 1.140 341 R CA 1.690 57.796 56.100 0.010 0.000 0.940 341 R CB -0.908 29.400 30.300 0.014 0.000 0.839 341 R HN 0.412 nan 8.270 nan 0.000 0.429 342 I N 1.268 121.842 120.570 0.007 0.000 2.163 342 I HA -0.238 3.935 4.170 0.005 0.000 0.243 342 I C 1.632 177.747 176.117 -0.003 0.000 1.085 342 I CA 1.640 62.943 61.300 0.005 0.000 1.347 342 I CB -1.375 36.621 38.000 -0.005 0.000 1.044 342 I HN 0.195 nan 8.210 nan 0.000 0.408 343 D N 0.730 121.125 120.400 -0.008 0.000 2.133 343 D HA -0.235 4.408 4.640 0.005 0.000 0.195 343 D C 1.912 178.206 176.300 -0.009 0.000 0.997 343 D CA 1.635 55.628 54.000 -0.013 0.000 0.840 343 D CB -0.177 40.614 40.800 -0.015 0.000 0.947 343 D HN 0.387 nan 8.370 nan 0.000 0.452 344 D N -0.345 120.052 120.400 -0.005 0.000 2.084 344 D HA -0.094 4.549 4.640 0.005 0.000 0.194 344 D C 1.942 178.244 176.300 0.004 0.000 0.990 344 D CA 1.799 55.797 54.000 -0.003 0.000 0.826 344 D CB -0.245 40.556 40.800 0.001 0.000 0.971 344 D HN 0.116 nan 8.370 nan 0.000 0.453 345 A N -0.097 122.731 122.820 0.013 0.000 1.917 345 A HA -0.154 4.169 4.320 0.005 0.000 0.219 345 A C 2.515 180.099 177.584 -0.001 0.000 1.182 345 A CA 1.954 54.002 52.037 0.019 0.000 0.633 345 A CB -0.890 18.128 19.000 0.029 0.000 0.819 345 A HN 0.253 nan 8.150 nan 0.000 0.448 346 V N -0.845 119.065 119.914 -0.006 0.000 2.379 346 V HA -0.187 3.936 4.120 0.005 0.000 0.245 346 V C 2.662 178.760 176.094 0.006 0.000 1.044 346 V CA 2.294 64.586 62.300 -0.013 0.000 1.036 346 V CB -1.337 30.477 31.823 -0.015 0.000 0.664 346 V HN 0.571 nan 8.190 nan 0.000 0.453 347 T N -0.004 114.553 114.554 0.005 0.000 2.699 347 T HA -0.260 4.093 4.350 0.005 0.000 0.268 347 T C 2.088 176.805 174.700 0.029 0.000 1.036 347 T CA 1.967 64.073 62.100 0.010 0.000 1.147 347 T CB -0.226 68.635 68.868 -0.012 0.000 0.862 347 T HN 0.460 nan 8.240 nan 0.000 0.446 348 R N 0.145 120.661 120.500 0.028 0.000 2.062 348 R HA 0.152 4.496 4.340 0.005 0.000 0.229 348 R C 2.501 178.894 176.300 0.154 0.000 1.128 348 R CA 1.068 57.202 56.100 0.057 0.000 0.960 348 R CB -0.401 29.930 30.300 0.052 0.000 0.855 348 R HN 0.370 nan 8.270 nan 0.000 0.432 349 I N 0.995 121.604 120.570 0.066 0.000 2.264 349 I HA -0.302 3.871 4.170 0.005 0.000 0.248 349 I C 2.176 178.337 176.117 0.074 0.000 1.111 349 I CA 1.355 62.612 61.300 -0.070 0.000 1.382 349 I CB -0.257 37.572 38.000 -0.285 0.000 1.060 349 I HN 0.170 nan 8.210 nan 0.000 0.418 350 L N 0.038 121.328 121.223 0.111 0.000 2.044 350 L HA -0.161 4.182 4.340 0.005 0.000 0.205 350 L C 2.790 179.859 176.870 0.332 0.000 1.075 350 L CA 1.126 56.098 54.840 0.220 0.000 0.747 350 L CB -0.625 41.598 42.059 0.272 0.000 0.903 350 L HN 0.208 nan 8.230 nan 0.000 0.435 351 R N 0.225 120.867 120.500 0.236 0.000 2.119 351 R HA -0.188 4.156 4.340 0.005 0.000 0.246 351 R C 2.111 178.530 176.300 0.198 0.000 1.146 351 R CA 1.893 58.109 56.100 0.193 0.000 0.962 351 R CB -0.242 30.101 30.300 0.071 0.000 0.863 351 R HN 0.179 nan 8.270 nan 0.000 0.442 352 V N 1.145 121.174 119.914 0.191 0.000 2.427 352 V HA -0.211 3.912 4.120 0.005 0.000 0.248 352 V C 2.240 178.420 176.094 0.143 0.000 1.051 352 V CA 1.901 64.291 62.300 0.151 0.000 1.048 352 V CB -0.406 31.547 31.823 0.216 0.000 0.666 352 V HN 0.370 nan 8.190 nan 0.000 0.456 353 K N -0.621 119.883 120.400 0.173 0.000 2.057 353 K HA -0.097 4.226 4.320 0.005 0.000 0.206 353 K C 2.091 178.783 176.600 0.154 0.000 1.050 353 K CA 1.575 57.935 56.287 0.120 0.000 0.935 353 K CB -0.293 32.268 32.500 0.102 0.000 0.715 353 K HN 0.398 nan 8.250 nan 0.000 0.439 354 F N 1.174 121.235 119.950 0.185 0.000 2.113 354 F HA -0.168 4.361 4.527 0.004 0.000 0.297 354 F C 2.635 178.469 175.800 0.056 0.000 1.103 354 F CA 1.163 59.204 58.000 0.068 0.000 1.248 354 F CB -0.679 38.251 39.000 -0.116 0.000 0.999 354 F HN -0.020 nan 8.300 nan 0.000 0.475 355 T N 1.134 115.827 114.554 0.231 0.000 2.699 355 T HA -0.273 4.081 4.350 0.005 0.000 0.268 355 T C 1.839 176.552 174.700 0.022 0.000 1.036 355 T CA 1.962 64.133 62.100 0.118 0.000 1.147 355 T CB -0.494 68.433 68.868 0.098 0.000 0.862 355 T HN 0.393 nan 8.240 nan 0.000 0.446 356 M N 0.275 119.878 119.600 0.006 0.000 2.618 356 M HA 0.415 4.898 4.480 0.005 0.000 0.240 356 M C 1.456 177.752 176.300 -0.006 0.000 1.123 356 M CA 0.829 56.091 55.300 -0.063 0.000 1.060 356 M CB -0.185 32.373 32.600 -0.071 0.000 1.535 356 M HN 0.215 nan 8.290 nan 0.000 0.507 357 G N 2.110 110.953 108.800 0.073 0.000 2.198 357 G HA2 -0.245 3.718 3.960 0.005 0.000 0.257 357 G HA3 -0.245 3.718 3.960 0.005 0.000 0.257 357 G C 0.470 175.431 174.900 0.101 0.000 1.042 357 G CA 0.420 45.588 45.100 0.112 0.000 0.791 357 G HN 0.571 nan 8.290 nan 0.000 0.502 358 L N -1.412 119.858 121.223 0.079 0.000 2.127 358 L HA 0.004 4.347 4.340 0.005 0.000 0.211 358 L C 2.585 179.410 176.870 -0.075 0.000 1.089 358 L CA 1.703 56.523 54.840 -0.033 0.000 0.757 358 L CB -0.238 41.753 42.059 -0.113 0.000 0.899 358 L HN 0.374 nan 8.230 nan 0.000 0.434 359 F N -0.146 119.730 119.950 -0.124 0.000 2.502 359 F HA -0.132 4.397 4.527 0.004 0.000 0.298 359 F C 2.207 178.016 175.800 0.015 0.000 1.111 359 F CA 0.681 58.633 58.000 -0.078 0.000 1.445 359 F CB -0.065 38.881 39.000 -0.091 0.000 1.081 359 F HN 0.091 nan 8.300 nan 0.000 0.558 360 E N -0.927 119.389 120.200 0.194 0.000 2.251 360 E HA 0.085 4.438 4.350 0.005 0.000 0.194 360 E C 0.387 177.046 176.600 0.100 0.000 0.964 360 E CA 0.514 57.001 56.400 0.144 0.000 0.868 360 E CB 0.070 29.850 29.700 0.132 0.000 0.828 360 E HN 0.091 nan 8.360 nan 0.000 0.481 361 N N 0.764 119.503 118.700 0.065 0.000 2.642 361 N HA 0.109 4.852 4.740 0.005 0.000 0.308 361 N C -2.190 173.317 175.510 -0.005 0.000 1.914 361 N CA -0.630 52.452 53.050 0.054 0.000 0.893 361 N CB 1.331 39.846 38.487 0.047 0.000 1.322 361 N HN 0.084 nan 8.380 nan 0.000 0.490 362 P HA -0.121 nan 4.420 nan 0.000 0.223 362 P C -0.223 176.805 177.300 -0.453 0.000 1.144 362 P CA 1.070 63.983 63.100 -0.312 0.000 0.783 362 P CB 0.260 31.690 31.700 -0.449 0.000 0.771 363 Y N -0.322 119.970 120.300 -0.013 0.000 2.534 363 Y HA 0.564 5.117 4.550 0.004 0.000 0.329 363 Y C 1.306 177.203 175.900 -0.006 0.000 1.154 363 Y CA -1.327 56.766 58.100 -0.011 0.000 1.192 363 Y CB 0.566 39.019 38.460 -0.012 0.000 1.275 363 Y HN -0.115 nan 8.280 nan 0.000 0.491 364 A N 0.470 123.389 122.820 0.165 0.000 2.325 364 A HA 0.245 4.568 4.320 0.005 0.000 0.260 364 A C -0.656 176.974 177.584 0.078 0.000 1.133 364 A CA 0.059 52.149 52.037 0.088 0.000 0.801 364 A CB -0.077 18.963 19.000 0.067 0.000 1.092 364 A HN 0.693 nan 8.150 nan 0.000 0.504 365 D N -0.812 119.618 120.400 0.051 0.000 2.420 365 D HA 0.333 4.976 4.640 0.005 0.000 0.255 365 D C -1.910 174.409 176.300 0.032 0.000 1.185 365 D CA -1.811 52.213 54.000 0.039 0.000 0.904 365 D CB 1.240 42.060 40.800 0.034 0.000 1.102 365 D HN 0.122 nan 8.370 nan 0.000 0.534 366 P HA -0.143 nan 4.420 nan 0.000 0.223 366 P C 1.069 178.382 177.300 0.021 0.000 1.144 366 P CA 0.605 63.719 63.100 0.023 0.000 0.783 366 P CB 0.328 32.037 31.700 0.015 0.000 0.771 367 A N -0.094 122.737 122.820 0.019 0.000 1.969 367 A HA -0.103 4.220 4.320 0.005 0.000 0.218 367 A C 2.176 179.772 177.584 0.019 0.000 1.169 367 A CA 1.363 53.410 52.037 0.017 0.000 0.635 367 A CB -1.130 17.879 19.000 0.016 0.000 0.810 367 A HN 0.030 nan 8.150 nan 0.000 0.445 368 M N -0.369 119.245 119.600 0.023 0.000 2.460 368 M HA -0.033 4.451 4.480 0.005 0.000 0.263 368 M C 2.358 178.674 176.300 0.026 0.000 1.071 368 M CA 0.992 56.307 55.300 0.025 0.000 1.096 368 M CB -1.482 31.133 32.600 0.024 0.000 1.408 368 M HN 0.506 nan 8.290 nan 0.000 0.463 369 A N 0.867 123.703 122.820 0.026 0.000 1.869 369 A HA -0.210 4.113 4.320 0.005 0.000 0.218 369 A C 1.963 179.562 177.584 0.025 0.000 1.203 369 A CA 1.848 53.903 52.037 0.030 0.000 0.638 369 A CB -0.730 18.290 19.000 0.034 0.000 0.831 369 A HN 0.431 nan 8.150 nan 0.000 0.450 370 E N -0.309 119.902 120.200 0.018 0.000 2.279 370 E HA -0.272 4.082 4.350 0.005 0.000 0.205 370 E C 2.047 178.651 176.600 0.006 0.000 1.028 370 E CA 1.443 57.847 56.400 0.008 0.000 0.830 370 E CB -0.395 29.305 29.700 -0.001 0.000 0.736 370 E HN 0.646 nan 8.360 nan 0.000 0.478 371 Q N 0.085 119.902 119.800 0.028 0.000 2.096 371 Q HA -0.114 4.230 4.340 0.005 0.000 0.204 371 Q C 1.052 177.108 176.000 0.093 0.000 0.982 371 Q CA 0.229 56.075 55.803 0.072 0.000 0.850 371 Q CB -0.625 28.178 28.738 0.109 0.000 0.901 371 Q HN 0.238 nan 8.270 nan 0.000 0.422 372 L N 1.038 122.290 121.223 0.048 0.000 2.660 372 L HA 0.047 4.390 4.340 0.005 0.000 0.272 372 L C 1.017 177.895 176.870 0.014 0.000 1.194 372 L CA 1.637 56.493 54.840 0.027 0.000 0.945 372 L CB -0.050 42.007 42.059 -0.003 0.000 1.212 372 L HN 0.541 nan 8.230 nan 0.000 0.490 373 G N 2.928 111.741 108.800 0.021 0.000 2.168 373 G HA2 -0.374 3.589 3.960 0.005 0.000 0.257 373 G HA3 -0.374 3.589 3.960 0.005 0.000 0.257 373 G C 0.613 175.484 174.900 -0.048 0.000 0.997 373 G CA 0.511 45.591 45.100 -0.033 0.000 0.708 373 G HN 0.748 nan 8.290 nan 0.000 0.520 374 K N -0.190 120.176 120.400 -0.056 0.000 2.511 374 K HA 0.156 4.480 4.320 0.005 0.000 0.280 374 K C 1.726 178.197 176.600 -0.216 0.000 1.008 374 K CA 0.449 56.608 56.287 -0.214 0.000 1.050 374 K CB 0.463 32.671 32.500 -0.486 0.000 0.889 374 K HN 0.207 nan 8.250 nan 0.000 0.484 375 Q N 2.974 122.678 119.800 -0.159 0.000 2.133 375 Q HA -0.255 4.089 4.340 0.005 0.000 0.208 375 Q C 0.778 176.708 176.000 -0.117 0.000 0.991 375 Q CA 2.220 57.952 55.803 -0.118 0.000 0.867 375 Q CB 0.033 28.718 28.738 -0.089 0.000 0.911 375 Q HN 0.693 nan 8.270 nan 0.000 0.417 376 E N -1.051 119.050 120.200 -0.165 0.000 2.160 376 E HA -0.197 4.157 4.350 0.005 0.000 0.195 376 E C 1.895 178.498 176.600 0.004 0.000 0.991 376 E CA 1.514 57.852 56.400 -0.104 0.000 0.810 376 E CB -0.202 29.416 29.700 -0.136 0.000 0.742 376 E HN 0.531 nan 8.360 nan 0.000 0.466 377 H N -0.129 118.928 119.070 -0.022 0.000 2.363 377 H HA 0.104 4.663 4.556 0.005 0.000 0.301 377 H C 2.005 177.242 175.328 -0.151 0.000 1.074 377 H CA 1.127 57.174 56.048 -0.002 0.000 1.354 377 H CB -0.140 29.629 29.762 0.013 0.000 1.397 377 H HN 0.083 nan 8.280 nan 0.000 0.516 378 R N 0.486 120.943 120.500 -0.071 0.000 2.096 378 R HA -0.101 4.242 4.340 0.005 0.000 0.235 378 R C 1.696 177.918 176.300 -0.130 0.000 1.127 378 R CA 1.333 57.324 56.100 -0.180 0.000 0.968 378 R CB 0.057 30.269 30.300 -0.146 0.000 0.861 378 R HN 0.348 nan 8.270 nan 0.000 0.440 379 D N 0.887 121.248 120.400 -0.066 0.000 2.097 379 D HA -0.165 4.478 4.640 0.005 0.000 0.195 379 D C 1.886 178.169 176.300 -0.028 0.000 0.989 379 D CA 0.860 54.832 54.000 -0.046 0.000 0.827 379 D CB -0.323 40.462 40.800 -0.024 0.000 0.966 379 D HN 0.063 nan 8.370 nan 0.000 0.456 380 L N 1.216 122.458 121.223 0.031 0.000 2.013 380 L HA -0.162 4.181 4.340 0.005 0.000 0.212 380 L C 2.135 179.075 176.870 0.117 0.000 1.073 380 L CA 2.095 56.998 54.840 0.104 0.000 0.753 380 L CB -0.896 41.307 42.059 0.241 0.000 0.890 380 L HN -0.011 nan 8.230 nan 0.000 0.432 381 A N -0.317 122.499 122.820 -0.007 0.000 1.877 381 A HA -0.250 4.074 4.320 0.005 0.000 0.216 381 A C 2.539 180.087 177.584 -0.061 0.000 1.186 381 A CA 1.774 53.742 52.037 -0.114 0.000 0.620 381 A CB -0.720 17.879 19.000 -0.668 0.000 0.822 381 A HN 0.551 nan 8.150 nan 0.000 0.443 382 R N -0.123 120.317 120.500 -0.100 0.000 2.096 382 R HA -0.228 4.115 4.340 0.005 0.000 0.240 382 R C 2.222 178.468 176.300 -0.091 0.000 1.139 382 R CA 2.041 58.089 56.100 -0.086 0.000 0.952 382 R CB -0.363 29.885 30.300 -0.088 0.000 0.854 382 R HN 0.728 nan 8.270 nan 0.000 0.436 383 E N -0.294 119.848 120.200 -0.096 0.000 2.038 383 E HA -0.231 4.122 4.350 0.005 0.000 0.195 383 E C 1.793 178.344 176.600 -0.082 0.000 1.000 383 E CA 1.438 57.754 56.400 -0.140 0.000 0.803 383 E CB -0.200 29.438 29.700 -0.104 0.000 0.750 383 E HN 0.512 nan 8.360 nan 0.000 0.448 384 A N 1.020 123.839 122.820 -0.002 0.000 1.972 384 A HA -0.097 4.226 4.320 0.005 0.000 0.219 384 A C 2.321 179.937 177.584 0.053 0.000 1.169 384 A CA 1.770 53.833 52.037 0.043 0.000 0.635 384 A CB -0.628 18.441 19.000 0.115 0.000 0.810 384 A HN 0.433 nan 8.150 nan 0.000 0.446 385 A N -0.129 122.712 122.820 0.035 0.000 1.858 385 A HA -0.167 4.157 4.320 0.005 0.000 0.216 385 A C 2.298 179.901 177.584 0.032 0.000 1.190 385 A CA 1.650 53.717 52.037 0.050 0.000 0.617 385 A CB -0.569 18.441 19.000 0.017 0.000 0.827 385 A HN 0.480 nan 8.150 nan 0.000 0.443 386 R N 0.364 120.838 120.500 -0.043 0.000 2.082 386 R HA -0.156 4.187 4.340 0.005 0.000 0.234 386 R C 1.852 178.116 176.300 -0.059 0.000 1.136 386 R CA 2.083 58.123 56.100 -0.099 0.000 0.935 386 R CB -0.474 29.698 30.300 -0.212 0.000 0.842 386 R HN 0.538 nan 8.270 nan 0.000 0.430 387 K N 0.486 120.859 120.400 -0.045 0.000 2.360 387 K HA -0.071 4.252 4.320 0.005 0.000 0.201 387 K C 1.877 178.529 176.600 0.087 0.000 1.046 387 K CA 1.496 57.788 56.287 0.008 0.000 0.945 387 K CB -0.015 32.483 32.500 -0.002 0.000 0.750 387 K HN 0.348 nan 8.250 nan 0.000 0.464 388 S N 0.302 116.081 115.700 0.132 0.000 2.524 388 S HA 0.093 4.566 4.470 0.005 0.000 0.216 388 S C 0.787 175.627 174.600 0.400 0.000 0.987 388 S CA -0.392 57.949 58.200 0.236 0.000 0.909 388 S CB -0.206 63.138 63.200 0.240 0.000 0.781 388 S HN 0.070 nan 8.310 nan 0.000 0.521 389 L N 2.515 123.909 121.223 0.285 0.000 2.453 389 L HA 0.346 4.689 4.340 0.005 0.000 0.272 389 L C -0.651 176.425 176.870 0.343 0.000 1.182 389 L CA -0.493 54.519 54.840 0.286 0.000 0.858 389 L CB 0.695 42.899 42.059 0.241 0.000 1.120 389 L HN 0.055 nan 8.230 nan 0.000 0.474 390 V N 4.646 124.713 119.914 0.255 0.000 2.407 390 V HA 0.211 4.335 4.120 0.005 0.000 0.291 390 V C -0.065 176.010 176.094 -0.031 0.000 1.018 390 V CA -0.605 61.810 62.300 0.191 0.000 0.842 390 V CB 1.771 33.779 31.823 0.309 0.000 0.996 390 V HN 0.427 nan 8.190 nan 0.000 0.426 391 L N 5.706 126.855 121.223 -0.124 0.000 2.418 391 L HA 0.308 4.651 4.340 0.005 0.000 0.274 391 L C 0.685 177.392 176.870 -0.272 0.000 1.135 391 L CA 0.810 55.413 54.840 -0.393 0.000 0.870 391 L CB 0.508 42.156 42.059 -0.686 0.000 1.154 391 L HN 0.604 nan 8.230 nan 0.000 0.462 392 L N 3.542 124.577 121.223 -0.313 0.000 2.316 392 L HA 0.272 4.615 4.340 0.005 0.000 0.207 392 L C 0.718 177.517 176.870 -0.117 0.000 1.070 392 L CA 0.195 54.846 54.840 -0.315 0.000 0.820 392 L CB -0.082 41.540 42.059 -0.729 0.000 0.992 392 L HN 0.580 nan 8.230 nan 0.000 0.466 393 K N 0.063 120.357 120.400 -0.176 0.000 2.502 393 K HA 0.313 4.636 4.320 0.005 0.000 0.257 393 K C -1.325 175.178 176.600 -0.162 0.000 0.938 393 K CA -0.501 55.723 56.287 -0.105 0.000 0.819 393 K CB 1.987 34.436 32.500 -0.086 0.000 1.333 393 K HN -0.201 nan 8.250 nan 0.000 0.434 394 N N 1.376 120.003 118.700 -0.122 0.000 2.679 394 N HA 0.276 5.019 4.740 0.005 0.000 0.240 394 N C -1.932 173.526 175.510 -0.087 0.000 1.537 394 N CA 0.245 53.212 53.050 -0.139 0.000 0.793 394 N CB 1.381 39.757 38.487 -0.185 0.000 1.391 394 N HN 0.836 nan 8.380 nan 0.000 0.524 395 G N 1.391 110.150 108.800 -0.068 0.000 2.677 395 G HA2 -0.041 3.922 3.960 0.005 0.000 0.321 395 G HA3 -0.041 3.922 3.960 0.005 0.000 0.321 395 G C 0.269 175.149 174.900 -0.034 0.000 1.449 395 G CA -0.695 44.378 45.100 -0.045 0.000 1.064 395 G HN 0.208 nan 8.290 nan 0.000 0.627 396 K N -0.363 120.019 120.400 -0.029 0.000 2.160 396 K HA -0.030 4.293 4.320 0.005 0.000 0.206 396 K C 1.612 178.201 176.600 -0.018 0.000 1.047 396 K CA 1.901 58.174 56.287 -0.023 0.000 0.930 396 K CB -0.002 32.488 32.500 -0.017 0.000 0.720 396 K HN 0.886 nan 8.250 nan 0.000 0.450 397 T N -3.873 110.672 114.554 -0.015 0.000 2.883 397 T HA 0.153 4.506 4.350 0.005 0.000 0.301 397 T C 0.988 175.682 174.700 -0.010 0.000 1.158 397 T CA -0.347 61.746 62.100 -0.011 0.000 1.007 397 T CB 1.766 70.629 68.868 -0.009 0.000 1.186 397 T HN 0.025 nan 8.240 nan 0.000 0.499 398 S N 0.839 116.535 115.700 -0.006 0.000 2.407 398 S HA -0.199 4.274 4.470 0.005 0.000 0.235 398 S C 1.940 176.537 174.600 -0.005 0.000 1.036 398 S CA 2.094 60.292 58.200 -0.004 0.000 1.013 398 S CB -1.519 61.680 63.200 -0.002 0.000 0.820 398 S HN 1.196 nan 8.310 nan 0.000 0.476 399 T N -1.777 112.774 114.554 -0.005 0.000 3.067 399 T HA 0.162 4.515 4.350 0.005 0.000 0.257 399 T C 0.126 174.823 174.700 -0.005 0.000 1.105 399 T CA -0.004 62.094 62.100 -0.004 0.000 1.104 399 T CB -0.533 68.333 68.868 -0.003 0.000 0.925 399 T HN 0.204 nan 8.240 nan 0.000 0.498 400 D N 2.428 122.824 120.400 -0.007 0.000 2.400 400 D HA 0.497 5.140 4.640 0.005 0.000 0.238 400 D C 0.216 176.510 176.300 -0.010 0.000 1.157 400 D CA 0.272 54.267 54.000 -0.008 0.000 0.889 400 D CB 0.593 41.385 40.800 -0.012 0.000 1.199 400 D HN 0.539 nan 8.370 nan 0.000 0.436 401 A N 2.265 125.080 122.820 -0.008 0.000 2.440 401 A HA 0.399 4.722 4.320 0.005 0.000 0.251 401 A C -2.104 175.468 177.584 -0.020 0.000 1.089 401 A CA -1.092 50.940 52.037 -0.009 0.000 0.779 401 A CB -0.155 18.843 19.000 -0.002 0.000 1.022 401 A HN 0.348 nan 8.150 nan 0.000 0.492 402 P HA 0.057 nan 4.420 nan 0.000 0.266 402 P C 0.827 178.097 177.300 -0.050 0.000 1.215 402 P CA -0.286 62.791 63.100 -0.040 0.000 0.763 402 P CB 0.537 32.217 31.700 -0.033 0.000 0.806 403 L N 5.414 126.594 121.223 -0.071 0.000 2.017 403 L HA -0.072 4.272 4.340 0.005 0.000 0.208 403 L C 0.467 177.261 176.870 -0.126 0.000 1.073 403 L CA 1.818 56.600 54.840 -0.096 0.000 0.745 403 L CB -0.534 41.458 42.059 -0.111 0.000 0.894 403 L HN 0.236 nan 8.230 nan 0.000 0.432 404 L N 0.598 121.749 121.223 -0.120 0.000 2.334 404 L HA 0.370 4.713 4.340 0.005 0.000 0.277 404 L C -2.090 174.766 176.870 -0.024 0.000 1.075 404 L CA -2.099 52.686 54.840 -0.092 0.000 0.804 404 L CB 0.398 42.417 42.059 -0.066 0.000 1.174 404 L HN -0.010 nan 8.230 nan 0.000 0.438 405 P HA 0.251 nan 4.420 nan 0.000 0.279 405 P C -0.712 176.536 177.300 -0.086 0.000 1.239 405 P CA -0.375 62.712 63.100 -0.021 0.000 0.789 405 P CB 0.651 32.373 31.700 0.038 0.000 0.933 406 L N 4.978 126.063 121.223 -0.231 0.000 2.417 406 L HA 0.338 4.681 4.340 0.005 0.000 0.268 406 L C -1.700 175.222 176.870 0.086 0.000 1.158 406 L CA -1.840 52.822 54.840 -0.296 0.000 0.819 406 L CB 0.139 41.709 42.059 -0.814 0.000 1.112 406 L HN 0.271 nan 8.230 nan 0.000 0.458 407 P HA 0.101 nan 4.420 nan 0.000 0.275 407 P C -0.652 176.900 177.300 0.420 0.000 1.227 407 P CA -0.380 62.887 63.100 0.278 0.000 0.781 407 P CB 0.979 32.815 31.700 0.227 0.000 0.906 408 K N 1.072 121.620 120.400 0.248 0.000 2.418 408 K HA 0.004 4.327 4.320 0.005 0.000 0.195 408 K C 0.986 177.624 176.600 0.063 0.000 1.035 408 K CA 0.742 57.062 56.287 0.055 0.000 1.003 408 K CB 0.159 32.604 32.500 -0.091 0.000 0.793 408 K HN 0.361 nan 8.250 nan 0.000 0.494 409 K N 1.040 121.505 120.400 0.107 0.000 2.339 409 K HA 0.461 4.784 4.320 0.005 0.000 0.264 409 K C -1.624 175.037 176.600 0.101 0.000 0.986 409 K CA -0.415 55.916 56.287 0.074 0.000 0.866 409 K CB 1.493 34.022 32.500 0.049 0.000 1.103 409 K HN -0.000 nan 8.250 nan 0.000 0.441 410 A N 5.013 127.873 122.820 0.066 0.000 2.589 410 A HA 0.444 4.767 4.320 0.005 0.000 0.296 410 A C -2.601 174.984 177.584 0.002 0.000 1.062 410 A CA -1.301 50.759 52.037 0.039 0.000 0.686 410 A CB 1.360 20.361 19.000 0.003 0.000 1.282 410 A HN 0.544 nan 8.150 nan 0.000 0.404 411 P HA -0.107 nan 4.420 nan 0.000 0.213 411 P C 0.117 177.409 177.300 -0.013 0.000 1.170 411 P CA 1.539 64.632 63.100 -0.013 0.000 0.902 411 P CB 0.267 31.954 31.700 -0.022 0.000 0.789 412 K N -0.418 119.973 120.400 -0.015 0.000 2.535 412 K HA 0.452 4.775 4.320 0.005 0.000 0.251 412 K C -1.218 175.441 176.600 0.098 0.000 0.942 412 K CA -0.812 55.501 56.287 0.044 0.000 0.798 412 K CB 1.254 33.756 32.500 0.004 0.000 1.267 412 K HN -0.025 nan 8.250 nan 0.000 0.434 413 I N 0.656 121.273 120.570 0.079 0.000 3.002 413 I HA 0.649 4.822 4.170 0.005 0.000 0.310 413 I C -1.780 174.229 176.117 -0.180 0.000 1.087 413 I CA -1.327 59.895 61.300 -0.131 0.000 1.017 413 I CB 1.973 39.725 38.000 -0.413 0.000 1.226 413 I HN 0.513 nan 8.210 nan 0.000 0.443 414 L N 4.229 125.163 121.223 -0.482 0.000 2.381 414 L HA 0.712 5.055 4.340 0.005 0.000 0.274 414 L C -1.365 175.397 176.870 -0.180 0.000 0.988 414 L CA -0.464 54.008 54.840 -0.614 0.000 0.824 414 L CB 1.827 43.022 42.059 -1.440 0.000 1.263 414 L HN 0.536 nan 8.230 nan 0.000 0.410 415 V N 4.970 124.879 119.914 -0.008 0.000 2.417 415 V HA 0.986 5.109 4.120 0.005 0.000 0.291 415 V C 0.076 176.285 176.094 0.192 0.000 1.024 415 V CA 0.174 62.560 62.300 0.142 0.000 0.861 415 V CB 0.989 32.949 31.823 0.229 0.000 0.985 415 V HN 1.080 nan 8.190 nan 0.000 0.436 416 A N 3.332 126.241 122.820 0.148 0.000 2.588 416 A HA 1.057 5.380 4.320 0.005 0.000 0.290 416 A C -0.148 177.525 177.584 0.148 0.000 1.136 416 A CA -0.213 51.874 52.037 0.084 0.000 0.681 416 A CB 1.804 20.787 19.000 -0.027 0.000 1.282 416 A HN 2.216 nan 8.150 nan 0.000 0.421 417 G N -1.158 107.714 108.800 0.119 0.000 2.484 417 G HA2 0.411 4.375 3.960 0.005 0.000 0.685 417 G HA3 0.411 4.375 3.960 0.005 0.000 0.685 417 G C 0.551 175.594 174.900 0.238 0.000 1.294 417 G CA 0.443 45.646 45.100 0.171 0.000 0.879 417 G HN 2.124 nan 8.290 nan 0.000 0.646 418 S N -0.690 115.175 115.700 0.276 0.000 2.423 418 S HA -0.089 4.384 4.470 0.005 0.000 0.231 418 S C 1.510 176.252 174.600 0.237 0.000 1.014 418 S CA 2.123 60.486 58.200 0.271 0.000 0.965 418 S CB -0.190 63.209 63.200 0.332 0.000 0.785 418 S HN 0.823 nan 8.310 nan 0.000 0.495 419 H N 0.810 120.036 119.070 0.259 0.000 2.586 419 H HA 0.618 5.177 4.556 0.005 0.000 0.273 419 H C 2.098 177.523 175.328 0.161 0.000 0.997 419 H CA 0.088 56.297 56.048 0.267 0.000 1.177 419 H CB -0.280 29.619 29.762 0.228 0.000 1.471 419 H HN 0.494 nan 8.280 nan 0.000 0.538 420 A N 0.611 123.590 122.820 0.265 0.000 1.873 420 A HA -0.198 4.125 4.320 0.005 0.000 0.218 420 A C 0.981 178.596 177.584 0.052 0.000 1.193 420 A CA 2.097 54.253 52.037 0.199 0.000 0.629 420 A CB -0.234 18.972 19.000 0.343 0.000 0.826 420 A HN 0.368 nan 8.150 nan 0.000 0.447 421 D N -0.965 119.417 120.400 -0.031 0.000 2.795 421 D HA 0.223 4.866 4.640 0.005 0.000 0.335 421 D C -0.867 175.339 176.300 -0.156 0.000 1.262 421 D CA -0.298 53.587 54.000 -0.191 0.000 0.885 421 D CB -0.240 40.255 40.800 -0.509 0.000 1.047 421 D HN 0.176 nan 8.370 nan 0.000 0.500 422 N N 2.957 121.582 118.700 -0.125 0.000 2.707 422 N HA 0.041 4.784 4.740 0.005 0.000 0.249 422 N C 0.647 176.072 175.510 -0.142 0.000 1.299 422 N CA -0.401 52.505 53.050 -0.241 0.000 0.769 422 N CB 0.840 39.015 38.487 -0.519 0.000 1.236 422 N HN 0.206 nan 8.380 nan 0.000 0.524 423 L N 3.096 124.254 121.223 -0.108 0.000 2.021 423 L HA -0.050 4.294 4.340 0.005 0.000 0.215 423 L C 2.104 178.965 176.870 -0.016 0.000 1.074 423 L CA 2.547 57.356 54.840 -0.051 0.000 0.760 423 L CB -0.818 41.206 42.059 -0.059 0.000 0.889 423 L HN 0.597 nan 8.230 nan 0.000 0.433 424 G N -1.822 106.947 108.800 -0.053 0.000 2.476 424 G HA2 -0.319 3.644 3.960 0.005 0.000 0.218 424 G HA3 -0.319 3.644 3.960 0.005 0.000 0.218 424 G C 1.594 176.587 174.900 0.155 0.000 1.164 424 G CA 1.156 46.267 45.100 0.019 0.000 0.768 424 G HN 0.544 nan 8.290 nan 0.000 0.560 425 Y N 1.280 121.543 120.300 -0.062 0.000 2.114 425 Y HA -0.231 4.322 4.550 0.005 0.000 0.284 425 Y C 3.341 179.280 175.900 0.065 0.000 1.143 425 Y CA 1.277 59.358 58.100 -0.031 0.000 1.135 425 Y CB -0.189 38.172 38.460 -0.165 0.000 0.980 425 Y HN 0.388 nan 8.280 nan 0.000 0.499 426 Q N -0.945 119.000 119.800 0.242 0.000 2.439 426 Q HA -0.141 4.202 4.340 0.005 0.000 0.211 426 Q C 1.966 178.045 176.000 0.131 0.000 0.978 426 Q CA 1.421 57.327 55.803 0.171 0.000 0.897 426 Q CB -0.555 28.257 28.738 0.123 0.000 0.956 426 Q HN 0.403 nan 8.270 nan 0.000 0.483 427 C N 0.214 119.589 119.300 0.125 0.000 2.518 427 C HA 0.402 4.865 4.460 0.005 0.000 0.283 427 C C 1.507 176.605 174.990 0.180 0.000 1.351 427 C CA 0.602 59.707 59.018 0.145 0.000 1.745 427 C CB -0.828 26.978 27.740 0.111 0.000 2.107 427 C HN 0.906 nan 8.230 nan 0.000 0.502 428 G N 0.012 108.858 108.800 0.077 0.000 2.698 428 G HA2 0.121 4.084 3.960 0.005 0.000 0.233 428 G HA3 0.121 4.084 3.960 0.005 0.000 0.233 428 G C 0.155 174.996 174.900 -0.099 0.000 1.352 428 G CA -0.435 44.592 45.100 -0.121 0.000 0.879 428 G HN 0.942 nan 8.290 nan 0.000 0.567 429 G N -2.475 106.080 108.800 -0.408 0.000 2.720 429 G HA2 0.405 4.368 3.960 0.005 0.000 0.237 429 G HA3 0.405 4.368 3.960 0.005 0.000 0.237 429 G C 0.553 175.595 174.900 0.236 0.000 1.239 429 G CA 0.982 45.956 45.100 -0.210 0.000 0.847 429 G HN 1.851 nan 8.290 nan 0.000 0.593 430 W N -1.333 120.035 121.300 0.114 0.000 5.563 430 W HA -0.177 4.487 4.660 0.006 0.000 0.396 430 W C 0.366 177.098 176.519 0.356 0.000 1.519 430 W CA 0.684 58.190 57.345 0.268 0.000 0.953 430 W CB -1.860 27.802 29.460 0.337 0.000 2.691 430 W HN 0.608 nan 8.180 nan 0.000 1.444 431 T N 1.062 115.857 114.554 0.402 0.000 2.985 431 T HA 0.416 4.769 4.350 0.005 0.000 0.315 431 T C 0.805 175.631 174.700 0.210 0.000 1.001 431 T CA -0.157 62.123 62.100 0.301 0.000 1.016 431 T CB 1.421 70.432 68.868 0.238 0.000 0.993 431 T HN 0.098 nan 8.240 nan 0.000 0.454 432 I N -0.467 120.234 120.570 0.218 0.000 4.519 432 I HA -0.231 3.942 4.170 0.005 0.000 0.056 432 I C 0.613 176.869 176.117 0.230 0.000 0.610 432 I CA 1.611 63.040 61.300 0.215 0.000 0.951 432 I CB -1.291 36.818 38.000 0.180 0.000 0.858 432 I HN 0.509 nan 8.210 nan 0.000 0.164 433 E N 0.066 120.380 120.200 0.190 0.000 2.227 433 E HA 0.110 4.463 4.350 0.005 0.000 0.268 433 E C 0.442 177.141 176.600 0.165 0.000 0.990 433 E CA -0.436 56.067 56.400 0.172 0.000 0.856 433 E CB 0.964 30.732 29.700 0.113 0.000 1.159 433 E HN 0.323 nan 8.360 nan 0.000 0.401 434 W N 2.611 123.852 121.300 -0.098 0.000 2.335 434 W HA -0.176 4.487 4.660 0.005 0.000 0.311 434 W C 1.318 177.572 176.519 -0.442 0.000 1.213 434 W CA 1.505 58.629 57.345 -0.368 0.000 1.274 434 W CB 0.138 29.361 29.460 -0.393 0.000 1.148 434 W HN 0.402 nan 8.180 nan 0.000 0.498 435 Q N 0.673 120.259 119.800 -0.358 0.000 2.444 435 Q HA 0.232 4.575 4.340 0.005 0.000 0.206 435 Q C 1.042 176.901 176.000 -0.236 0.000 0.948 435 Q CA 1.150 56.663 55.803 -0.482 0.000 0.946 435 Q CB -0.483 28.060 28.738 -0.326 0.000 1.027 435 Q HN 0.360 nan 8.270 nan 0.000 0.513 436 G N 0.945 109.683 108.800 -0.104 0.000 2.795 436 G HA2 -0.173 3.791 3.960 0.005 0.000 0.664 436 G HA3 -0.173 3.791 3.960 0.005 0.000 0.664 436 G C -0.891 174.023 174.900 0.023 0.000 1.381 436 G CA -0.143 44.955 45.100 -0.003 0.000 0.853 436 G HN 0.246 nan 8.290 nan 0.000 0.545 437 D N -1.984 118.450 120.400 0.057 0.000 2.752 437 D HA 0.736 5.379 4.640 0.005 0.000 0.313 437 D C -0.421 175.916 176.300 0.061 0.000 1.225 437 D CA 0.420 54.454 54.000 0.056 0.000 0.976 437 D CB 2.094 42.924 40.800 0.050 0.000 1.443 437 D HN 0.633 nan 8.370 nan 0.000 0.515 438 T N -0.874 113.679 114.554 -0.003 0.000 2.885 438 T HA 0.653 5.007 4.350 0.005 0.000 0.285 438 T C 0.109 174.691 174.700 -0.197 0.000 1.019 438 T CA 0.906 62.904 62.100 -0.170 0.000 1.010 438 T CB 0.748 69.490 68.868 -0.210 0.000 1.022 438 T HN 0.740 nan 8.240 nan 0.000 0.466 439 G N 2.897 111.518 108.800 -0.299 0.000 2.627 439 G HA2 -0.152 3.811 3.960 0.005 0.000 0.214 439 G HA3 -0.152 3.811 3.960 0.005 0.000 0.214 439 G C -0.390 174.443 174.900 -0.111 0.000 1.331 439 G CA -0.297 44.687 45.100 -0.193 0.000 0.891 439 G HN 0.900 nan 8.290 nan 0.000 0.539 440 R N 0.723 121.182 120.500 -0.068 0.000 2.878 440 R HA 0.425 4.769 4.340 0.005 0.000 0.239 440 R C 1.922 178.242 176.300 0.033 0.000 1.515 440 R CA 0.914 56.999 56.100 -0.024 0.000 1.210 440 R CB -0.556 29.734 30.300 -0.016 0.000 1.209 440 R HN 0.817 nan 8.270 nan 0.000 0.610 441 T N -1.602 112.974 114.554 0.038 0.000 3.100 441 T HA 0.058 4.412 4.350 0.005 0.000 0.253 441 T C 0.733 175.537 174.700 0.173 0.000 1.118 441 T CA 0.471 62.632 62.100 0.102 0.000 1.058 441 T CB 0.362 69.276 68.868 0.076 0.000 0.953 441 T HN 0.392 nan 8.240 nan 0.000 0.515 442 T N -0.324 114.268 114.554 0.064 0.000 2.658 442 T HA 0.414 4.767 4.350 0.005 0.000 0.305 442 T C -1.759 172.791 174.700 -0.249 0.000 1.551 442 T CA -0.574 61.410 62.100 -0.193 0.000 0.985 442 T CB 1.131 69.849 68.868 -0.248 0.000 1.731 442 T HN -0.052 nan 8.240 nan 0.000 0.486 443 V N 2.309 121.951 119.914 -0.454 0.000 2.470 443 V HA 0.637 4.760 4.120 0.005 0.000 0.276 443 V C 1.144 177.126 176.094 -0.186 0.000 1.040 443 V CA 1.186 63.329 62.300 -0.260 0.000 1.008 443 V CB 0.108 31.766 31.823 -0.276 0.000 0.990 443 V HN 1.154 nan 8.190 nan 0.000 0.477 444 G N 3.781 112.506 108.800 -0.125 0.000 2.490 444 G HA2 0.577 4.540 3.960 0.005 0.000 0.308 444 G HA3 0.577 4.540 3.960 0.005 0.000 0.308 444 G C -1.026 173.826 174.900 -0.081 0.000 1.286 444 G CA -0.405 44.629 45.100 -0.110 0.000 0.825 444 G HN 0.445 nan 8.290 nan 0.000 0.479 445 T N 1.224 115.735 114.554 -0.072 0.000 2.985 445 T HA 0.569 4.922 4.350 0.005 0.000 0.315 445 T C 0.467 175.140 174.700 -0.044 0.000 1.001 445 T CA 0.013 62.079 62.100 -0.056 0.000 1.016 445 T CB 0.905 69.744 68.868 -0.049 0.000 0.993 445 T HN 1.031 nan 8.240 nan 0.000 0.454 446 T N 0.802 115.325 114.554 -0.052 0.000 2.726 446 T HA 0.397 4.750 4.350 0.005 0.000 0.294 446 T C 1.767 176.456 174.700 -0.019 0.000 1.013 446 T CA -0.683 61.392 62.100 -0.041 0.000 0.996 446 T CB 0.390 69.210 68.868 -0.080 0.000 1.016 446 T HN 0.422 nan 8.240 nan 0.000 0.529 447 I N 0.436 121.011 120.570 0.010 0.000 2.163 447 I HA -0.127 4.046 4.170 0.005 0.000 0.243 447 I C 2.472 178.609 176.117 0.033 0.000 1.085 447 I CA 1.245 62.570 61.300 0.042 0.000 1.347 447 I CB -0.571 37.474 38.000 0.075 0.000 1.044 447 I HN 0.552 nan 8.210 nan 0.000 0.408 448 L N 1.117 122.329 121.223 -0.019 0.000 1.990 448 L HA -0.265 4.078 4.340 0.005 0.000 0.213 448 L C 2.371 179.218 176.870 -0.038 0.000 1.072 448 L CA 1.995 56.805 54.840 -0.051 0.000 0.755 448 L CB -0.702 41.211 42.059 -0.243 0.000 0.889 448 L HN 0.204 nan 8.230 nan 0.000 0.432 449 E N -0.451 119.709 120.200 -0.066 0.000 2.070 449 E HA -0.290 4.063 4.350 0.005 0.000 0.197 449 E C 2.166 178.756 176.600 -0.017 0.000 1.004 449 E CA 1.428 57.798 56.400 -0.049 0.000 0.805 449 E CB -0.424 29.240 29.700 -0.059 0.000 0.744 449 E HN 0.693 nan 8.360 nan 0.000 0.451 450 A N 0.810 123.632 122.820 0.004 0.000 1.865 450 A HA -0.194 4.129 4.320 0.005 0.000 0.217 450 A C 2.538 180.148 177.584 0.044 0.000 1.191 450 A CA 1.605 53.658 52.037 0.027 0.000 0.623 450 A CB -0.880 18.151 19.000 0.052 0.000 0.826 450 A HN 0.139 nan 8.150 nan 0.000 0.444 451 V N 0.624 120.590 119.914 0.087 0.000 2.282 451 V HA -0.312 3.811 4.120 0.005 0.000 0.249 451 V C 2.420 178.525 176.094 0.019 0.000 1.057 451 V CA 2.391 64.763 62.300 0.120 0.000 1.032 451 V CB -0.738 31.203 31.823 0.196 0.000 0.645 451 V HN 0.536 nan 8.190 nan 0.000 0.447 452 K N 0.312 120.721 120.400 0.014 0.000 2.280 452 K HA -0.042 4.282 4.320 0.005 0.000 0.202 452 K C 1.725 178.307 176.600 -0.031 0.000 1.047 452 K CA 1.388 57.672 56.287 -0.006 0.000 0.942 452 K CB -0.245 32.251 32.500 -0.006 0.000 0.739 452 K HN 0.502 nan 8.250 nan 0.000 0.457 453 A N 0.115 122.914 122.820 -0.034 0.000 2.379 453 A HA 0.391 4.715 4.320 0.005 0.000 0.236 453 A C 1.457 179.001 177.584 -0.067 0.000 1.272 453 A CA 0.533 52.545 52.037 -0.042 0.000 0.886 453 A CB 0.119 19.102 19.000 -0.029 0.000 0.962 453 A HN 0.236 nan 8.150 nan 0.000 0.504 454 A N -0.674 122.074 122.820 -0.121 0.000 1.977 454 A HA 0.455 4.778 4.320 0.005 0.000 0.197 454 A C 0.937 178.327 177.584 -0.323 0.000 1.554 454 A CA 0.802 52.711 52.037 -0.213 0.000 1.037 454 A CB -0.535 18.307 19.000 -0.263 0.000 1.083 454 A HN 0.828 nan 8.150 nan 0.000 0.471 455 V N -0.271 119.444 119.914 -0.331 0.000 3.237 455 V HA 0.243 4.366 4.120 0.005 0.000 0.305 455 V C 0.220 176.232 176.094 -0.137 0.000 1.096 455 V CA -0.744 61.390 62.300 -0.277 0.000 1.130 455 V CB 0.262 31.992 31.823 -0.155 0.000 1.048 455 V HN 0.407 nan 8.190 nan 0.000 0.484 456 D N 3.375 123.721 120.400 -0.090 0.000 2.443 456 D HA 0.096 4.739 4.640 0.005 0.000 0.239 456 D C -1.272 175.009 176.300 -0.032 0.000 1.136 456 D CA -1.276 52.696 54.000 -0.048 0.000 0.879 456 D CB 1.759 42.546 40.800 -0.022 0.000 1.195 456 D HN 0.512 nan 8.370 nan 0.000 0.443 457 P HA -0.163 nan 4.420 nan 0.000 0.221 457 P C 0.794 178.089 177.300 -0.008 0.000 1.141 457 P CA 0.986 64.076 63.100 -0.016 0.000 0.794 457 P CB 0.054 31.746 31.700 -0.014 0.000 0.764 458 S N -2.799 112.897 115.700 -0.006 0.000 2.597 458 S HA 0.127 4.601 4.470 0.005 0.000 0.224 458 S C 0.561 175.163 174.600 0.003 0.000 0.955 458 S CA -0.392 57.808 58.200 -0.001 0.000 0.933 458 S CB -0.848 62.353 63.200 0.001 0.000 0.788 458 S HN -0.060 nan 8.310 nan 0.000 0.488 459 T N 2.859 117.413 114.554 0.001 0.000 2.753 459 T HA 0.425 4.778 4.350 0.005 0.000 0.297 459 T C -0.248 174.462 174.700 0.016 0.000 0.981 459 T CA -0.384 61.720 62.100 0.006 0.000 0.956 459 T CB 1.240 70.111 68.868 0.004 0.000 0.936 459 T HN 0.143 nan 8.240 nan 0.000 0.463 460 V N 5.079 125.008 119.914 0.025 0.000 2.455 460 V HA 0.191 4.314 4.120 0.005 0.000 0.273 460 V C 0.342 176.480 176.094 0.075 0.000 1.045 460 V CA -0.525 61.803 62.300 0.048 0.000 0.976 460 V CB 0.823 32.676 31.823 0.051 0.000 0.993 460 V HN 0.627 nan 8.190 nan 0.000 0.475 461 V N 6.462 126.424 119.914 0.080 0.000 2.350 461 V HA 0.362 4.486 4.120 0.005 0.000 0.276 461 V C 0.017 176.197 176.094 0.143 0.000 1.028 461 V CA -0.456 61.903 62.300 0.098 0.000 0.860 461 V CB 1.584 33.458 31.823 0.084 0.000 0.990 461 V HN 0.614 nan 8.190 nan 0.000 0.453 462 V N 5.908 125.925 119.914 0.173 0.000 2.398 462 V HA 0.447 4.571 4.120 0.005 0.000 0.286 462 V C -0.449 175.783 176.094 0.230 0.000 1.026 462 V CA -0.571 61.870 62.300 0.235 0.000 0.868 462 V CB 1.556 33.605 31.823 0.377 0.000 0.982 462 V HN 0.689 nan 8.190 nan 0.000 0.443 463 F N 4.302 124.312 119.950 0.099 0.000 2.421 463 F HA 0.794 5.325 4.527 0.006 0.000 0.337 463 F C 0.178 176.029 175.800 0.084 0.000 1.105 463 F CA -0.976 57.065 58.000 0.068 0.000 1.049 463 F CB 1.448 40.474 39.000 0.043 0.000 1.139 463 F HN 0.548 nan 8.300 nan 0.000 0.479 464 A N 5.648 127.931 122.820 -0.894 0.000 2.684 464 A HA 0.275 4.598 4.320 0.005 0.000 0.289 464 A C 0.704 177.788 177.584 -0.833 0.000 1.139 464 A CA -0.342 51.253 52.037 -0.736 0.000 0.793 464 A CB 0.240 19.111 19.000 -0.215 0.000 1.334 464 A HN 0.954 nan 8.150 nan 0.000 0.408 465 E N 1.653 121.225 120.200 -1.047 0.000 2.108 465 E HA -0.259 4.094 4.350 0.005 0.000 0.203 465 E C 0.508 177.005 176.600 -0.172 0.000 1.022 465 E CA 1.989 58.129 56.400 -0.433 0.000 0.823 465 E CB 0.013 29.625 29.700 -0.147 0.000 0.744 465 E HN 0.666 nan 8.360 nan 0.000 0.456 466 N N 0.035 118.632 118.700 -0.172 0.000 2.751 466 N HA 0.173 4.916 4.740 0.005 0.000 0.234 466 N C -2.786 172.672 175.510 -0.087 0.000 1.403 466 N CA -1.306 51.698 53.050 -0.076 0.000 0.747 466 N CB 1.163 39.634 38.487 -0.027 0.000 1.326 466 N HN -0.053 nan 8.380 nan 0.000 0.532 467 P HA 0.329 nan 4.420 nan 0.000 0.278 467 P C -0.848 176.490 177.300 0.062 0.000 1.266 467 P CA -0.195 62.891 63.100 -0.023 0.000 0.807 467 P CB 1.124 32.943 31.700 0.198 0.000 1.094 468 D N -1.075 119.383 120.400 0.098 0.000 2.437 468 D HA 0.293 4.936 4.640 0.005 0.000 0.259 468 D C 1.146 177.533 176.300 0.145 0.000 1.118 468 D CA -0.768 53.290 54.000 0.097 0.000 1.017 468 D CB 0.428 41.269 40.800 0.068 0.000 1.120 468 D HN 0.304 nan 8.370 nan 0.000 0.541 469 A N 0.293 123.173 122.820 0.099 0.000 1.873 469 A HA -0.298 4.025 4.320 0.005 0.000 0.218 469 A C 1.966 179.613 177.584 0.105 0.000 1.193 469 A CA 2.578 54.670 52.037 0.091 0.000 0.629 469 A CB -1.164 17.872 19.000 0.061 0.000 0.826 469 A HN 0.785 nan 8.150 nan 0.000 0.447 470 E N -0.711 119.552 120.200 0.104 0.000 2.086 470 E HA -0.260 4.093 4.350 0.005 0.000 0.200 470 E C 1.662 178.348 176.600 0.143 0.000 1.012 470 E CA 2.016 58.477 56.400 0.102 0.000 0.812 470 E CB -0.606 29.151 29.700 0.095 0.000 0.743 470 E HN 0.561 nan 8.360 nan 0.000 0.453 471 F N 0.161 120.137 119.950 0.044 0.000 2.134 471 F HA -0.145 4.385 4.527 0.005 0.000 0.299 471 F C 1.986 177.865 175.800 0.132 0.000 1.097 471 F CA 1.581 59.621 58.000 0.067 0.000 1.264 471 F CB -0.434 38.604 39.000 0.064 0.000 1.001 471 F HN 0.008 nan 8.300 nan 0.000 0.479 472 V N 0.807 120.769 119.914 0.080 0.000 2.307 472 V HA -0.277 3.846 4.120 0.005 0.000 0.245 472 V C 2.316 178.430 176.094 0.034 0.000 1.045 472 V CA 2.164 64.508 62.300 0.074 0.000 1.024 472 V CB -0.783 31.117 31.823 0.127 0.000 0.651 472 V HN 0.240 nan 8.190 nan 0.000 0.449 473 K N 0.328 120.739 120.400 0.017 0.000 2.280 473 K HA -0.068 4.255 4.320 0.005 0.000 0.202 473 K C 2.030 178.585 176.600 -0.075 0.000 1.047 473 K CA 1.507 57.789 56.287 -0.009 0.000 0.942 473 K CB -0.171 32.333 32.500 0.007 0.000 0.739 473 K HN 0.396 nan 8.250 nan 0.000 0.457 474 S N -0.031 115.597 115.700 -0.121 0.000 2.535 474 S HA 0.054 4.527 4.470 0.005 0.000 0.214 474 S C 1.748 176.148 174.600 -0.333 0.000 0.980 474 S CA 0.192 58.292 58.200 -0.166 0.000 0.907 474 S CB 0.747 63.890 63.200 -0.094 0.000 0.790 474 S HN 0.491 nan 8.310 nan 0.000 0.510 475 G N 1.584 110.060 108.800 -0.540 0.000 2.448 475 G HA2 0.210 4.174 3.960 0.005 0.000 0.219 475 G HA3 0.210 4.174 3.960 0.005 0.000 0.219 475 G C 1.105 175.315 174.900 -1.150 0.000 1.127 475 G CA 0.518 44.947 45.100 -1.118 0.000 0.766 475 G HN 0.858 nan 8.290 nan 0.000 0.552 476 G N -1.015 107.371 108.800 -0.690 0.000 2.182 476 G HA2 -0.246 3.717 3.960 0.005 0.000 0.248 476 G HA3 -0.246 3.717 3.960 0.005 0.000 0.248 476 G C 0.118 174.759 174.900 -0.431 0.000 1.042 476 G CA -0.098 44.736 45.100 -0.443 0.000 0.775 476 G HN 0.405 nan 8.290 nan 0.000 0.501 477 F N 0.174 120.050 119.950 -0.122 0.000 2.371 477 F HA 0.490 5.020 4.527 0.005 0.000 0.329 477 F C 1.722 177.459 175.800 -0.104 0.000 1.107 477 F CA -0.021 57.901 58.000 -0.131 0.000 1.137 477 F CB 1.511 40.432 39.000 -0.132 0.000 1.214 477 F HN 0.021 nan 8.300 nan 0.000 0.536 478 S N 0.474 116.206 115.700 0.053 0.000 2.458 478 S HA 0.061 4.534 4.470 0.005 0.000 0.223 478 S C -0.959 173.724 174.600 0.138 0.000 1.019 478 S CA 0.363 58.579 58.200 0.027 0.000 0.937 478 S CB -0.114 63.061 63.200 -0.043 0.000 0.788 478 S HN 0.626 nan 8.310 nan 0.000 0.511 479 Y N -1.944 118.427 120.300 0.119 0.000 2.810 479 Y HA 0.702 5.255 4.550 0.005 0.000 0.355 479 Y C -1.352 174.548 175.900 0.000 0.000 1.211 479 Y CA -2.026 56.108 58.100 0.056 0.000 1.112 479 Y CB 0.294 38.776 38.460 0.038 0.000 1.383 479 Y HN -0.064 nan 8.280 nan 0.000 0.458 480 A N 1.441 124.430 122.820 0.283 0.000 2.498 480 A HA 0.871 5.194 4.320 0.005 0.000 0.298 480 A C -1.779 175.891 177.584 0.142 0.000 1.075 480 A CA -0.912 51.189 52.037 0.107 0.000 0.714 480 A CB 1.413 20.372 19.000 -0.068 0.000 1.299 480 A HN 0.761 nan 8.150 nan 0.000 0.407 481 I N 2.146 122.782 120.570 0.109 0.000 2.410 481 I HA 0.424 4.597 4.170 0.005 0.000 0.286 481 I C -0.709 175.451 176.117 0.073 0.000 1.009 481 I CA -0.893 60.457 61.300 0.083 0.000 1.111 481 I CB 1.841 39.907 38.000 0.110 0.000 1.262 481 I HN 0.491 nan 8.210 nan 0.000 0.443 482 V N 3.201 123.145 119.914 0.051 0.000 2.459 482 V HA 0.913 5.036 4.120 0.005 0.000 0.295 482 V C 0.021 176.155 176.094 0.066 0.000 1.029 482 V CA -0.601 61.739 62.300 0.066 0.000 0.874 482 V CB 1.419 33.270 31.823 0.046 0.000 0.985 482 V HN 0.733 nan 8.190 nan 0.000 0.438 483 A N 4.661 127.547 122.820 0.111 0.000 2.331 483 A HA 0.993 5.317 4.320 0.005 0.000 0.320 483 A C -0.344 177.329 177.584 0.148 0.000 1.138 483 A CA -0.203 51.900 52.037 0.109 0.000 0.790 483 A CB 1.625 20.719 19.000 0.156 0.000 1.206 483 A HN 2.224 nan 8.150 nan 0.000 0.470 484 V N -0.685 119.231 119.914 0.003 0.000 3.226 484 V HA 1.065 5.188 4.120 0.005 0.000 0.304 484 V C 0.109 175.863 176.094 -0.567 0.000 1.336 484 V CA -0.005 62.243 62.300 -0.087 0.000 1.066 484 V CB 1.118 32.963 31.823 0.037 0.000 1.087 484 V HN 2.474 nan 8.190 nan 0.000 0.451 485 G N 0.048 108.427 108.800 -0.702 0.000 2.356 485 G HA2 0.280 4.243 3.960 0.005 0.000 0.266 485 G HA3 0.280 4.243 3.960 0.005 0.000 0.266 485 G C -1.070 173.696 174.900 -0.224 0.000 1.312 485 G CA -0.282 44.514 45.100 -0.507 0.000 0.922 485 G HN 0.996 nan 8.290 nan 0.000 0.480 486 E N -0.309 119.842 120.200 -0.081 0.000 2.397 486 E HA 0.399 4.752 4.350 0.005 0.000 0.254 486 E C -0.355 176.354 176.600 0.182 0.000 1.231 486 E CA -0.102 56.326 56.400 0.046 0.000 0.954 486 E CB 0.436 30.218 29.700 0.137 0.000 1.024 486 E HN 0.494 nan 8.360 nan 0.000 0.481 487 H N -0.225 118.798 119.070 -0.079 0.000 2.573 487 H HA 0.259 4.818 4.556 0.005 0.000 0.351 487 H C -2.178 173.046 175.328 -0.174 0.000 1.163 487 H CA -2.686 53.182 56.048 -0.300 0.000 1.205 487 H CB 1.352 30.975 29.762 -0.232 0.000 1.605 487 H HN 0.250 nan 8.280 nan 0.000 0.525 488 P HA -0.119 nan 4.420 nan 0.000 0.261 488 P C -1.334 175.891 177.300 -0.125 0.000 1.173 488 P CA 0.826 63.819 63.100 -0.179 0.000 0.760 488 P CB 0.046 31.721 31.700 -0.042 0.000 0.783 489 Y N -0.624 119.585 120.300 -0.152 0.000 2.625 489 Y HA 0.835 5.388 4.550 0.005 0.000 0.338 489 Y C -1.042 174.737 175.900 -0.203 0.000 1.123 489 Y CA -1.306 56.687 58.100 -0.179 0.000 1.046 489 Y CB 0.666 39.054 38.460 -0.119 0.000 1.299 489 Y HN 0.193 nan 8.280 nan 0.000 0.464 490 T N 1.616 116.099 114.554 -0.118 0.000 3.172 490 T HA 0.449 4.802 4.350 0.005 0.000 0.320 490 T C -1.029 173.436 174.700 -0.392 0.000 1.085 490 T CA -0.582 61.303 62.100 -0.359 0.000 1.052 490 T CB 1.885 70.087 68.868 -1.109 0.000 1.107 490 T HN 0.918 nan 8.240 nan 0.000 0.458 491 E N 0.665 120.735 120.200 -0.217 0.000 3.611 491 E HA -0.274 4.079 4.350 0.005 0.000 0.238 491 E C 1.084 177.594 176.600 -0.150 0.000 1.468 491 E CA 1.002 57.310 56.400 -0.155 0.000 2.235 491 E CB -1.192 28.529 29.700 0.035 0.000 2.090 491 E HN 0.690 nan 8.360 nan 0.000 0.483 492 T N 0.419 114.943 114.554 -0.049 0.000 2.684 492 T HA -0.296 4.057 4.350 0.005 0.000 0.267 492 T C 1.584 176.225 174.700 -0.099 0.000 1.032 492 T CA 2.143 64.220 62.100 -0.037 0.000 1.155 492 T CB -0.287 68.581 68.868 0.001 0.000 0.857 492 T HN 0.308 nan 8.240 nan 0.000 0.457 493 K N 0.475 120.789 120.400 -0.143 0.000 2.520 493 K HA -0.055 4.268 4.320 0.005 0.000 0.197 493 K C 1.882 178.381 176.600 -0.170 0.000 1.043 493 K CA 0.957 57.155 56.287 -0.149 0.000 0.944 493 K CB -0.192 32.185 32.500 -0.206 0.000 0.770 493 K HN 0.446 nan 8.250 nan 0.000 0.480 494 G N -0.336 108.323 108.800 -0.236 0.000 3.062 494 G HA2 -0.018 3.945 3.960 0.005 0.000 0.228 494 G HA3 -0.018 3.945 3.960 0.005 0.000 0.228 494 G C -0.506 174.095 174.900 -0.498 0.000 1.094 494 G CA -0.389 44.399 45.100 -0.521 0.000 0.782 494 G HN 0.178 nan 8.290 nan 0.000 0.541 495 D N 1.348 121.599 120.400 -0.249 0.000 2.493 495 D HA 0.122 4.765 4.640 0.005 0.000 0.240 495 D C -0.215 175.988 176.300 -0.161 0.000 1.142 495 D CA 0.635 54.551 54.000 -0.140 0.000 0.872 495 D CB 0.803 41.586 40.800 -0.028 0.000 1.173 495 D HN 0.063 nan 8.370 nan 0.000 0.467 496 N N 2.428 121.046 118.700 -0.136 0.000 2.430 496 N HA 0.183 4.926 4.740 0.005 0.000 0.290 496 N C 0.241 175.704 175.510 -0.078 0.000 1.063 496 N CA -0.429 52.549 53.050 -0.121 0.000 0.883 496 N CB 1.404 39.798 38.487 -0.155 0.000 1.465 496 N HN 0.205 nan 8.380 nan 0.000 0.493 497 L N 2.445 123.626 121.223 -0.070 0.000 2.375 497 L HA 0.061 4.404 4.340 0.005 0.000 0.215 497 L C 1.521 178.342 176.870 -0.082 0.000 1.108 497 L CA 0.635 55.433 54.840 -0.070 0.000 0.830 497 L CB -0.022 42.002 42.059 -0.057 0.000 0.959 497 L HN 0.554 nan 8.230 nan 0.000 0.457 498 N N -0.200 118.460 118.700 -0.068 0.000 2.388 498 N HA -0.035 4.708 4.740 0.005 0.000 0.176 498 N C 1.012 176.498 175.510 -0.040 0.000 1.062 498 N CA -0.142 52.874 53.050 -0.056 0.000 0.895 498 N CB -0.140 38.324 38.487 -0.038 0.000 1.018 498 N HN 0.055 nan 8.380 nan 0.000 0.456 499 L N 0.887 122.092 121.223 -0.030 0.000 3.851 499 L HA -0.226 4.117 4.340 0.005 0.000 0.438 499 L C -0.503 176.421 176.870 0.091 0.000 1.171 499 L CA 0.969 55.831 54.840 0.037 0.000 0.895 499 L CB -2.521 39.595 42.059 0.094 0.000 1.800 499 L HN 0.659 nan 8.230 nan 0.000 0.960 500 T N -1.910 112.671 114.554 0.045 0.000 2.823 500 T HA 0.676 5.030 4.350 0.005 0.000 0.279 500 T C 0.415 175.125 174.700 0.017 0.000 0.998 500 T CA -0.877 61.257 62.100 0.056 0.000 0.994 500 T CB 2.045 70.939 68.868 0.044 0.000 0.960 500 T HN 0.299 nan 8.240 nan 0.000 0.448 501 I N 0.938 121.520 120.570 0.020 0.000 3.045 501 I HA 0.415 4.588 4.170 0.005 0.000 0.288 501 I C -2.484 173.607 176.117 -0.042 0.000 1.238 501 I CA -1.909 59.379 61.300 -0.020 0.000 1.396 501 I CB -0.582 37.410 38.000 -0.013 0.000 1.355 501 I HN 0.373 nan 8.210 nan 0.000 0.601 502 P HA 0.233 nan 4.420 nan 0.000 0.274 502 P C -0.937 176.362 177.300 -0.000 0.000 1.237 502 P CA -0.219 62.816 63.100 -0.109 0.000 0.793 502 P CB 0.595 32.087 31.700 -0.345 0.000 0.977 503 E N 1.687 121.902 120.200 0.025 0.000 2.222 503 E HA 0.382 4.735 4.350 0.005 0.000 0.272 503 E C -1.880 174.774 176.600 0.090 0.000 0.982 503 E CA -1.639 54.796 56.400 0.058 0.000 0.842 503 E CB 0.144 29.868 29.700 0.040 0.000 1.144 503 E HN 0.439 nan 8.360 nan 0.000 0.397 504 P HA 0.424 nan 4.420 nan 0.000 0.277 504 P C -0.093 177.273 177.300 0.109 0.000 1.240 504 P CA -0.299 62.852 63.100 0.084 0.000 0.798 504 P CB 1.585 33.327 31.700 0.069 0.000 0.979 505 G N 0.349 109.200 108.800 0.084 0.000 4.253 505 G HA2 -0.092 3.871 3.960 0.005 0.000 0.169 505 G HA3 -0.092 3.871 3.960 0.005 0.000 0.169 505 G C 0.665 175.598 174.900 0.056 0.000 1.295 505 G CA 0.202 45.353 45.100 0.086 0.000 1.021 505 G HN 0.478 nan 8.290 nan 0.000 0.381 506 L N 2.579 123.829 121.223 0.044 0.000 2.046 506 L HA 0.048 4.392 4.340 0.005 0.000 0.208 506 L C 3.026 179.917 176.870 0.034 0.000 1.077 506 L CA 3.108 57.969 54.840 0.034 0.000 0.747 506 L CB -0.568 41.510 42.059 0.032 0.000 0.896 506 L HN 0.418 nan 8.230 nan 0.000 0.432 507 S N -2.419 113.303 115.700 0.037 0.000 2.383 507 S HA -0.211 4.263 4.470 0.005 0.000 0.229 507 S C 1.818 176.440 174.600 0.038 0.000 1.030 507 S CA 1.736 59.957 58.200 0.035 0.000 1.002 507 S CB -1.278 61.943 63.200 0.035 0.000 0.829 507 S HN 0.556 nan 8.310 nan 0.000 0.467 508 T N 2.023 116.603 114.554 0.044 0.000 2.812 508 T HA 0.074 4.427 4.350 0.005 0.000 0.264 508 T C 1.951 176.676 174.700 0.041 0.000 1.042 508 T CA 1.161 63.287 62.100 0.045 0.000 1.140 508 T CB -0.543 68.358 68.868 0.054 0.000 0.870 508 T HN 0.287 nan 8.240 nan 0.000 0.445 509 V N 1.947 121.883 119.914 0.037 0.000 2.343 509 V HA -0.206 3.917 4.120 0.005 0.000 0.247 509 V C 2.645 178.753 176.094 0.024 0.000 1.051 509 V CA 1.624 63.940 62.300 0.027 0.000 1.036 509 V CB -0.710 31.123 31.823 0.017 0.000 0.654 509 V HN 0.522 nan 8.190 nan 0.000 0.451 510 Q N -0.170 119.646 119.800 0.026 0.000 2.119 510 Q HA -0.110 4.233 4.340 0.005 0.000 0.201 510 Q C 2.423 178.441 176.000 0.031 0.000 0.972 510 Q CA 1.607 57.425 55.803 0.024 0.000 0.847 510 Q CB -0.358 28.394 28.738 0.023 0.000 0.903 510 Q HN 0.670 nan 8.270 nan 0.000 0.433 511 A N 0.423 123.266 122.820 0.038 0.000 1.898 511 A HA -0.095 4.228 4.320 0.005 0.000 0.216 511 A C 2.309 179.927 177.584 0.056 0.000 1.181 511 A CA 1.103 53.169 52.037 0.048 0.000 0.620 511 A CB -0.469 18.564 19.000 0.054 0.000 0.819 511 A HN 0.183 nan 8.150 nan 0.000 0.442 512 V N -0.940 119.004 119.914 0.050 0.000 2.346 512 V HA -0.244 3.879 4.120 0.005 0.000 0.244 512 V C 2.559 178.677 176.094 0.040 0.000 1.037 512 V CA 1.919 64.247 62.300 0.047 0.000 1.029 512 V CB -0.885 30.956 31.823 0.029 0.000 0.663 512 V HN 0.685 nan 8.190 nan 0.000 0.454 513 c N 1.031 119.649 118.600 0.031 0.000 2.432 513 c HA 0.021 4.594 4.570 0.005 0.000 0.282 513 c C 2.681 176.789 174.090 0.029 0.000 1.388 513 c CA 0.591 56.935 56.329 0.026 0.000 1.777 513 c CB -1.654 40.864 42.510 0.014 0.000 1.882 513 c HN 0.678 nan 8.230 nan 0.000 0.520 514 G N -0.050 108.768 108.800 0.031 0.000 2.813 514 G HA2 0.246 4.210 3.960 0.005 0.000 0.209 514 G HA3 0.246 4.210 3.960 0.005 0.000 0.209 514 G C 1.522 176.443 174.900 0.036 0.000 1.150 514 G CA 0.997 46.115 45.100 0.030 0.000 0.785 514 G HN 0.578 nan 8.290 nan 0.000 0.535 515 G N -1.179 107.648 108.800 0.046 0.000 2.743 515 G HA2 0.390 4.353 3.960 0.005 0.000 0.206 515 G HA3 0.390 4.353 3.960 0.005 0.000 0.206 515 G C -0.147 174.791 174.900 0.064 0.000 1.115 515 G CA 0.814 45.946 45.100 0.054 0.000 0.782 515 G HN 0.508 nan 8.290 nan 0.000 0.524 516 V N 0.664 120.619 119.914 0.069 0.000 3.147 516 V HA 0.495 4.618 4.120 0.005 0.000 0.299 516 V C -0.942 175.197 176.094 0.074 0.000 1.302 516 V CA -1.447 60.903 62.300 0.084 0.000 1.015 516 V CB 2.089 33.990 31.823 0.130 0.000 1.086 516 V HN 0.564 nan 8.190 nan 0.000 0.437 517 R N 3.647 124.196 120.500 0.082 0.000 2.585 517 R HA 0.426 4.769 4.340 0.005 0.000 0.275 517 R C -0.115 176.230 176.300 0.074 0.000 1.018 517 R CA 0.292 56.430 56.100 0.064 0.000 1.072 517 R CB -0.342 29.997 30.300 0.064 0.000 0.953 517 R HN 0.975 nan 8.270 nan 0.000 0.419 518 c N -0.016 118.601 118.600 0.029 0.000 2.971 518 c HA 0.941 5.514 4.570 0.005 0.000 0.310 518 c C -0.390 173.679 174.090 -0.035 0.000 1.285 518 c CA -0.733 55.606 56.329 0.017 0.000 1.593 518 c CB 1.536 44.054 42.510 0.014 0.000 2.076 518 c HN 1.017 nan 8.230 nan 0.000 0.472 519 A N 1.625 124.417 122.820 -0.047 0.000 2.332 519 A HA 0.724 5.047 4.320 0.005 0.000 0.300 519 A C -0.218 177.332 177.584 -0.057 0.000 1.153 519 A CA -0.042 51.941 52.037 -0.088 0.000 0.764 519 A CB 0.712 19.626 19.000 -0.143 0.000 1.174 519 A HN 0.965 nan 8.150 nan 0.000 0.467 520 T N 2.313 116.826 114.554 -0.068 0.000 2.749 520 T HA 0.448 4.801 4.350 0.005 0.000 0.287 520 T C -0.222 174.436 174.700 -0.069 0.000 0.970 520 T CA -0.110 61.958 62.100 -0.054 0.000 0.980 520 T CB 0.881 69.716 68.868 -0.056 0.000 0.924 520 T HN 0.399 nan 8.240 nan 0.000 0.456 521 V N 5.351 125.241 119.914 -0.040 0.000 2.350 521 V HA 0.353 4.476 4.120 0.005 0.000 0.276 521 V C -0.156 175.896 176.094 -0.070 0.000 1.028 521 V CA -0.809 61.463 62.300 -0.046 0.000 0.860 521 V CB 1.161 32.984 31.823 0.001 0.000 0.990 521 V HN 0.630 nan 8.190 nan 0.000 0.453 522 L N 7.389 128.540 121.223 -0.119 0.000 2.255 522 L HA 0.518 4.861 4.340 0.005 0.000 0.289 522 L C -0.359 176.415 176.870 -0.160 0.000 1.046 522 L CA 0.165 54.921 54.840 -0.139 0.000 0.816 522 L CB 0.746 42.730 42.059 -0.125 0.000 1.197 522 L HN 0.388 nan 8.230 nan 0.000 0.427 523 I N 5.216 125.675 120.570 -0.185 0.000 2.297 523 I HA 0.449 4.622 4.170 0.005 0.000 0.291 523 I C 0.054 176.097 176.117 -0.123 0.000 1.033 523 I CA 0.067 61.288 61.300 -0.132 0.000 1.253 523 I CB 0.230 38.177 38.000 -0.089 0.000 1.396 523 I HN 0.793 nan 8.210 nan 0.000 0.476 524 S N 2.828 118.510 115.700 -0.029 0.000 2.552 524 S HA 0.570 5.043 4.470 0.005 0.000 0.272 524 S C 0.236 174.925 174.600 0.148 0.000 1.150 524 S CA -0.510 57.711 58.200 0.034 0.000 0.849 524 S CB 1.503 64.721 63.200 0.030 0.000 1.113 524 S HN 0.634 nan 8.310 nan 0.000 0.458 525 G N 0.569 109.453 108.800 0.140 0.000 3.233 525 G HA2 0.475 4.438 3.960 0.005 0.000 0.227 525 G HA3 0.475 4.438 3.960 0.005 0.000 0.227 525 G C 0.325 175.421 174.900 0.327 0.000 1.175 525 G CA -0.242 44.979 45.100 0.202 0.000 0.781 525 G HN 1.028 nan 8.290 nan 0.000 0.542 526 R N -2.285 118.394 120.500 0.299 0.000 2.774 526 R HA 0.321 4.665 4.340 0.005 0.000 0.279 526 R C -3.630 172.635 176.300 -0.059 0.000 1.022 526 R CA -1.526 54.690 56.100 0.192 0.000 0.855 526 R CB -0.088 30.303 30.300 0.152 0.000 1.279 526 R HN -0.204 nan 8.270 nan 0.000 0.485 527 P HA 0.167 nan 4.420 nan 0.000 0.271 527 P C -0.729 176.033 177.300 -0.898 0.000 1.216 527 P CA -0.387 61.834 63.100 -1.465 0.000 0.776 527 P CB 1.069 31.764 31.700 -1.675 0.000 0.881 528 V N -0.037 119.435 119.914 -0.737 0.000 3.181 528 V HA 0.433 4.556 4.120 0.005 0.000 0.308 528 V C -0.306 175.951 176.094 0.271 0.000 1.214 528 V CA -1.245 61.066 62.300 0.020 0.000 1.053 528 V CB 1.607 33.489 31.823 0.099 0.000 1.069 528 V HN 0.129 nan 8.190 nan 0.000 0.441 529 V N 1.654 121.835 119.914 0.445 0.000 2.506 529 V HA 0.039 4.162 4.120 0.005 0.000 0.296 529 V C 1.124 177.411 176.094 0.321 0.000 1.004 529 V CA 1.405 63.954 62.300 0.416 0.000 1.150 529 V CB 0.725 32.710 31.823 0.270 0.000 0.911 529 V HN 0.946 nan 8.190 nan 0.000 0.476 530 V N 4.181 124.302 119.914 0.345 0.000 3.548 530 V HA 0.046 4.169 4.120 0.005 0.000 0.279 530 V C 1.737 177.873 176.094 0.069 0.000 1.446 530 V CA 0.621 63.036 62.300 0.190 0.000 1.023 530 V CB 0.965 32.858 31.823 0.116 0.000 0.820 530 V HN 0.936 nan 8.190 nan 0.000 0.438 531 Q N 1.321 121.169 119.800 0.080 0.000 2.045 531 Q HA -0.176 4.167 4.340 0.005 0.000 0.206 531 Q C -0.340 175.669 176.000 0.015 0.000 0.991 531 Q CA 2.998 58.816 55.803 0.025 0.000 0.851 531 Q CB -1.614 27.141 28.738 0.029 0.000 0.911 531 Q HN 0.513 nan 8.270 nan 0.000 0.418 532 P HA -0.187 nan 4.420 nan 0.000 0.215 532 P C 0.951 178.257 177.300 0.010 0.000 1.157 532 P CA 1.157 64.270 63.100 0.022 0.000 0.874 532 P CB -0.014 31.706 31.700 0.034 0.000 0.790 533 L N -1.811 119.418 121.223 0.011 0.000 1.994 533 L HA -0.178 4.165 4.340 0.005 0.000 0.208 533 L C 2.339 179.191 176.870 -0.030 0.000 1.071 533 L CA 1.130 55.966 54.840 -0.008 0.000 0.745 533 L CB -1.165 40.887 42.059 -0.011 0.000 0.892 533 L HN -0.049 nan 8.230 nan 0.000 0.431 534 L N -0.026 121.171 121.223 -0.043 0.000 2.081 534 L HA -0.211 4.132 4.340 0.005 0.000 0.212 534 L C 2.644 179.491 176.870 -0.038 0.000 1.080 534 L CA 2.023 56.829 54.840 -0.056 0.000 0.754 534 L CB -1.091 40.935 42.059 -0.055 0.000 0.893 534 L HN 0.224 nan 8.230 nan 0.000 0.433 535 A N -1.245 121.560 122.820 -0.025 0.000 1.930 535 A HA -0.046 4.277 4.320 0.005 0.000 0.217 535 A C 2.304 179.879 177.584 -0.015 0.000 1.175 535 A CA 1.570 53.596 52.037 -0.019 0.000 0.627 535 A CB -0.713 18.280 19.000 -0.011 0.000 0.815 535 A HN 0.413 nan 8.150 nan 0.000 0.443 536 A N -0.843 121.970 122.820 -0.012 0.000 2.178 536 A HA 0.398 4.721 4.320 0.005 0.000 0.211 536 A C 1.081 178.658 177.584 -0.011 0.000 1.157 536 A CA 0.592 52.625 52.037 -0.006 0.000 0.780 536 A CB -0.138 18.863 19.000 0.002 0.000 0.828 536 A HN 0.349 nan 8.150 nan 0.000 0.476 537 S N 0.037 115.722 115.700 -0.024 0.000 2.608 537 S HA 0.367 4.841 4.470 0.005 0.000 0.291 537 S C -0.213 174.362 174.600 -0.041 0.000 1.146 537 S CA -0.459 57.721 58.200 -0.034 0.000 1.043 537 S CB 1.545 64.714 63.200 -0.053 0.000 1.037 537 S HN 0.366 nan 8.310 nan 0.000 0.520 538 D N 1.188 121.562 120.400 -0.044 0.000 2.162 538 D HA 0.322 4.965 4.640 0.005 0.000 0.205 538 D C 0.441 176.696 176.300 -0.076 0.000 0.964 538 D CA 0.698 54.669 54.000 -0.049 0.000 0.847 538 D CB 0.157 40.932 40.800 -0.041 0.000 0.988 538 D HN 0.584 nan 8.370 nan 0.000 0.480 539 A N 0.144 122.905 122.820 -0.098 0.000 2.449 539 A HA 0.713 5.036 4.320 0.005 0.000 0.302 539 A C -1.694 175.799 177.584 -0.152 0.000 1.048 539 A CA -0.577 51.374 52.037 -0.142 0.000 0.708 539 A CB 1.244 20.142 19.000 -0.170 0.000 1.274 539 A HN 0.145 nan 8.150 nan 0.000 0.410 540 L N 2.434 123.540 121.223 -0.194 0.000 2.438 540 L HA 0.731 5.074 4.340 0.005 0.000 0.270 540 L C -1.613 175.100 176.870 -0.261 0.000 0.972 540 L CA -0.591 54.129 54.840 -0.201 0.000 0.831 540 L CB 2.111 44.051 42.059 -0.198 0.000 1.273 540 L HN 0.511 nan 8.230 nan 0.000 0.405 541 V N 3.676 123.459 119.914 -0.219 0.000 2.495 541 V HA 0.687 4.811 4.120 0.005 0.000 0.298 541 V C 0.254 176.203 176.094 -0.242 0.000 1.031 541 V CA -0.546 61.627 62.300 -0.211 0.000 0.871 541 V CB 1.623 33.404 31.823 -0.069 0.000 0.988 541 V HN 0.836 nan 8.190 nan 0.000 0.432 542 A N 3.333 125.950 122.820 -0.339 0.000 2.391 542 A HA 0.699 5.022 4.320 0.005 0.000 0.316 542 A C 0.927 178.091 177.584 -0.699 0.000 1.381 542 A CA 0.203 51.889 52.037 -0.585 0.000 0.998 542 A CB 0.548 19.081 19.000 -0.779 0.000 1.147 542 A HN 1.284 nan 8.150 nan 0.000 0.545 543 A N 2.297 124.838 122.820 -0.465 0.000 2.308 543 A HA 0.450 4.773 4.320 0.005 0.000 0.217 543 A C 0.748 178.287 177.584 -0.075 0.000 1.216 543 A CA 0.339 52.252 52.037 -0.207 0.000 0.864 543 A CB -0.850 18.132 19.000 -0.030 0.000 0.902 543 A HN 1.182 nan 8.150 nan 0.000 0.499 544 W N -1.666 119.687 121.300 0.087 0.000 2.450 544 W HA -0.315 4.348 4.660 0.005 0.000 0.300 544 W C 0.239 176.783 176.519 0.042 0.000 1.567 544 W CA 0.894 58.280 57.345 0.068 0.000 1.558 544 W CB -1.364 28.149 29.460 0.089 0.000 0.906 544 W HN 0.093 nan 8.180 nan 0.000 0.490 545 L N 2.336 123.766 121.223 0.344 0.000 2.457 545 L HA 0.221 4.564 4.340 0.005 0.000 0.252 545 L C -1.298 175.703 176.870 0.218 0.000 1.132 545 L CA -1.655 53.306 54.840 0.203 0.000 0.938 545 L CB 1.085 43.228 42.059 0.140 0.000 1.246 545 L HN -0.018 nan 8.230 nan 0.000 0.476 546 P HA -0.140 nan 4.420 nan 0.000 0.216 546 P C 0.843 178.202 177.300 0.099 0.000 1.150 546 P CA 1.637 64.823 63.100 0.145 0.000 0.843 546 P CB 0.700 32.465 31.700 0.109 0.000 0.787 547 G N -0.560 108.291 108.800 0.085 0.000 2.428 547 G HA2 -0.179 3.784 3.960 0.005 0.000 0.202 547 G HA3 -0.179 3.784 3.960 0.005 0.000 0.202 547 G C 0.793 175.676 174.900 -0.029 0.000 1.247 547 G CA 0.314 45.427 45.100 0.023 0.000 1.020 547 G HN 0.266 nan 8.290 nan 0.000 0.529 548 S N -0.455 115.182 115.700 -0.105 0.000 2.489 548 S HA 0.160 4.633 4.470 0.005 0.000 0.228 548 S C 0.658 175.195 174.600 -0.105 0.000 0.995 548 S CA 1.616 59.747 58.200 -0.115 0.000 0.934 548 S CB 0.205 63.302 63.200 -0.171 0.000 0.771 548 S HN 0.574 nan 8.310 nan 0.000 0.522 549 E N 2.038 122.174 120.200 -0.107 0.000 2.201 549 E HA 0.330 4.683 4.350 0.005 0.000 0.272 549 E C 1.240 177.814 176.600 -0.043 0.000 1.228 549 E CA -0.129 56.218 56.400 -0.088 0.000 1.305 549 E CB -0.062 29.568 29.700 -0.117 0.000 1.381 549 E HN 0.463 nan 8.360 nan 0.000 0.475 550 G N 1.595 110.380 108.800 -0.025 0.000 2.550 550 G HA2 -0.377 3.586 3.960 0.005 0.000 0.222 550 G HA3 -0.377 3.586 3.960 0.005 0.000 0.222 550 G C 1.366 176.276 174.900 0.017 0.000 1.113 550 G CA 0.677 45.780 45.100 0.005 0.000 0.748 550 G HN 0.372 nan 8.290 nan 0.000 0.585 551 Q N -0.160 119.642 119.800 0.004 0.000 2.248 551 Q HA -0.045 4.299 4.340 0.005 0.000 0.208 551 Q C 2.778 178.787 176.000 0.016 0.000 0.984 551 Q CA 1.041 56.856 55.803 0.020 0.000 0.875 551 Q CB -0.427 28.313 28.738 0.003 0.000 0.910 551 Q HN 0.479 nan 8.270 nan 0.000 0.433 552 G N -0.253 108.540 108.800 -0.012 0.000 2.450 552 G HA2 -0.241 3.722 3.960 0.005 0.000 0.220 552 G HA3 -0.241 3.722 3.960 0.005 0.000 0.220 552 G C 1.396 176.285 174.900 -0.018 0.000 1.130 552 G CA 1.023 46.104 45.100 -0.033 0.000 0.760 552 G HN 0.247 nan 8.290 nan 0.000 0.557 553 V N 1.480 121.404 119.914 0.018 0.000 2.283 553 V HA -0.153 3.971 4.120 0.005 0.000 0.243 553 V C 3.310 179.430 176.094 0.043 0.000 1.039 553 V CA 2.393 64.711 62.300 0.031 0.000 1.016 553 V CB -1.022 30.834 31.823 0.055 0.000 0.650 553 V HN 0.627 nan 8.190 nan 0.000 0.449 554 T N -2.419 112.197 114.554 0.105 0.000 2.881 554 T HA -0.215 4.139 4.350 0.005 0.000 0.270 554 T C 1.507 176.353 174.700 0.242 0.000 1.068 554 T CA 1.501 63.739 62.100 0.229 0.000 1.131 554 T CB -0.475 68.586 68.868 0.323 0.000 0.871 554 T HN 0.377 nan 8.240 nan 0.000 0.479 555 D N 1.844 122.324 120.400 0.133 0.000 2.149 555 D HA 0.024 4.667 4.640 0.005 0.000 0.198 555 D C 2.337 178.696 176.300 0.098 0.000 0.990 555 D CA 1.466 55.561 54.000 0.158 0.000 0.839 555 D CB -0.436 40.426 40.800 0.103 0.000 0.948 555 D HN 0.623 nan 8.370 nan 0.000 0.460 556 A N 0.256 123.020 122.820 -0.094 0.000 1.878 556 A HA 0.017 4.340 4.320 0.005 0.000 0.213 556 A C 2.366 179.814 177.584 -0.227 0.000 1.192 556 A CA 0.323 52.114 52.037 -0.410 0.000 0.619 556 A CB -0.661 17.749 19.000 -0.983 0.000 0.837 556 A HN 0.157 nan 8.150 nan 0.000 0.446 557 L N -1.729 119.437 121.223 -0.095 0.000 2.081 557 L HA -0.184 4.159 4.340 0.005 0.000 0.212 557 L C 1.570 178.209 176.870 -0.384 0.000 1.080 557 L CA 1.300 56.027 54.840 -0.188 0.000 0.754 557 L CB -0.465 41.366 42.059 -0.380 0.000 0.893 557 L HN 0.421 nan 8.230 nan 0.000 0.433 558 F N -0.637 119.329 119.950 0.026 0.000 2.639 558 F HA 0.289 4.819 4.527 0.005 0.000 0.300 558 F C 1.653 177.459 175.800 0.010 0.000 1.109 558 F CA 0.324 58.335 58.000 0.018 0.000 1.335 558 F CB 0.075 39.093 39.000 0.030 0.000 1.014 558 F HN 0.114 nan 8.300 nan 0.000 0.537 559 G N 0.251 109.114 108.800 0.105 0.000 2.166 559 G HA2 -0.358 3.605 3.960 0.005 0.000 0.260 559 G HA3 -0.358 3.605 3.960 0.005 0.000 0.260 559 G C 0.983 175.886 174.900 0.004 0.000 0.986 559 G CA 0.736 45.870 45.100 0.056 0.000 0.683 559 G HN 0.333 nan 8.290 nan 0.000 0.527 560 D N -0.714 119.705 120.400 0.032 0.000 2.221 560 D HA 0.061 4.704 4.640 0.005 0.000 0.204 560 D C 0.777 176.776 176.300 -0.501 0.000 0.982 560 D CA 1.141 55.056 54.000 -0.142 0.000 0.857 560 D CB -0.006 40.815 40.800 0.036 0.000 0.934 560 D HN 0.481 nan 8.370 nan 0.000 0.475 561 F N -1.191 118.731 119.950 -0.045 0.000 2.613 561 F HA 0.527 5.057 4.527 0.005 0.000 0.310 561 F C 0.780 176.508 175.800 -0.121 0.000 1.085 561 F CA -1.252 56.706 58.000 -0.070 0.000 0.945 561 F CB 1.883 40.833 39.000 -0.084 0.000 1.298 561 F HN -0.307 nan 8.300 nan 0.000 0.455 562 G N 0.517 109.373 108.800 0.093 0.000 2.412 562 G HA2 0.531 4.495 3.960 0.005 0.000 0.318 562 G HA3 0.531 4.495 3.960 0.005 0.000 0.318 562 G C -1.259 173.648 174.900 0.012 0.000 1.146 562 G CA -0.542 44.588 45.100 0.050 0.000 0.882 562 G HN 0.346 nan 8.290 nan 0.000 0.501 563 F N 0.699 120.676 119.950 0.044 0.000 2.578 563 F HA 0.234 4.764 4.527 0.006 0.000 0.381 563 F C 1.882 177.698 175.800 0.026 0.000 1.069 563 F CA 0.824 58.842 58.000 0.029 0.000 1.231 563 F CB 1.269 40.265 39.000 -0.006 0.000 1.086 563 F HN 0.537 nan 8.300 nan 0.000 0.564 564 T N -0.857 113.799 114.554 0.170 0.000 2.966 564 T HA 0.271 4.625 4.350 0.005 0.000 0.254 564 T C 0.933 175.702 174.700 0.114 0.000 0.961 564 T CA 0.222 62.392 62.100 0.116 0.000 0.915 564 T CB -0.390 68.526 68.868 0.080 0.000 1.186 564 T HN 0.665 nan 8.240 nan 0.000 0.505 565 G N 1.588 110.479 108.800 0.152 0.000 2.432 565 G HA2 0.500 4.463 3.960 0.005 0.000 0.239 565 G HA3 0.500 4.463 3.960 0.005 0.000 0.239 565 G C -0.632 174.365 174.900 0.161 0.000 1.291 565 G CA -0.579 44.621 45.100 0.167 0.000 0.863 565 G HN 0.530 nan 8.290 nan 0.000 0.560 566 R N 1.220 121.813 120.500 0.155 0.000 2.628 566 R HA 0.258 4.601 4.340 0.005 0.000 0.288 566 R C -0.193 176.233 176.300 0.210 0.000 0.980 566 R CA -1.027 55.164 56.100 0.151 0.000 0.891 566 R CB 2.126 32.483 30.300 0.095 0.000 1.188 566 R HN 0.424 nan 8.270 nan 0.000 0.450 567 L N 4.792 126.188 121.223 0.287 0.000 2.776 567 L HA -0.079 4.264 4.340 0.005 0.000 0.283 567 L C -1.165 175.823 176.870 0.196 0.000 1.194 567 L CA -0.307 54.742 54.840 0.348 0.000 0.947 567 L CB 0.255 42.566 42.059 0.420 0.000 1.255 567 L HN 0.458 nan 8.230 nan 0.000 0.481 568 P HA 0.013 nan 4.420 nan 0.000 0.235 568 P C 0.291 177.612 177.300 0.035 0.000 1.177 568 P CA 0.833 63.933 63.100 -0.001 0.000 0.785 568 P CB 0.559 32.177 31.700 -0.136 0.000 0.885 569 R N -1.081 119.465 120.500 0.076 0.000 2.923 569 R HA 0.548 4.891 4.340 0.005 0.000 0.252 569 R C -0.204 176.229 176.300 0.223 0.000 1.130 569 R CA -0.594 55.576 56.100 0.117 0.000 1.043 569 R CB 0.666 31.007 30.300 0.068 0.000 1.205 569 R HN -0.227 nan 8.270 nan 0.000 0.495 570 T N 1.276 115.967 114.554 0.229 0.000 2.806 570 T HA 0.134 4.487 4.350 0.005 0.000 0.290 570 T C -0.930 173.923 174.700 0.255 0.000 0.966 570 T CA -0.223 62.067 62.100 0.316 0.000 1.060 570 T CB 0.502 69.611 68.868 0.403 0.000 0.927 570 T HN 0.244 nan 8.240 nan 0.000 0.485 571 W N 7.308 128.678 121.300 0.116 0.000 2.332 571 W HA 0.345 5.009 4.660 0.005 0.000 0.306 571 W C -0.714 175.767 176.519 -0.062 0.000 1.149 571 W CA -1.963 55.350 57.345 -0.053 0.000 1.271 571 W CB 0.104 29.609 29.460 0.075 0.000 1.243 571 W HN 0.606 nan 8.180 nan 0.000 0.459 572 F N 3.494 123.596 119.950 0.253 0.000 2.403 572 F HA 0.353 4.883 4.527 0.005 0.000 0.320 572 F C 1.101 177.047 175.800 0.242 0.000 1.176 572 F CA -0.713 57.399 58.000 0.186 0.000 1.206 572 F CB 0.357 39.413 39.000 0.093 0.000 1.235 572 F HN 0.257 nan 8.300 nan 0.000 0.565 573 K N 0.007 120.680 120.400 0.456 0.000 2.141 573 K HA 0.151 4.474 4.320 0.005 0.000 0.202 573 K C -0.034 176.770 176.600 0.340 0.000 1.045 573 K CA 1.073 57.539 56.287 0.299 0.000 0.971 573 K CB 0.023 32.598 32.500 0.125 0.000 0.795 573 K HN 0.791 nan 8.250 nan 0.000 0.459 574 S N -0.467 115.374 115.700 0.236 0.000 2.569 574 S HA 0.193 4.666 4.470 0.005 0.000 0.280 574 S C 0.707 175.182 174.600 -0.209 0.000 1.111 574 S CA -0.872 57.362 58.200 0.056 0.000 0.887 574 S CB 1.812 65.025 63.200 0.021 0.000 1.095 574 S HN -0.008 nan 8.310 nan 0.000 0.476 575 V N -1.407 118.286 119.914 -0.368 0.000 3.305 575 V HA -0.006 4.117 4.120 0.005 0.000 0.269 575 V C 1.212 177.145 176.094 -0.269 0.000 1.157 575 V CA 1.644 63.624 62.300 -0.533 0.000 1.157 575 V CB -1.516 30.048 31.823 -0.433 0.000 0.772 575 V HN 0.924 nan 8.190 nan 0.000 0.498 576 D N -0.386 119.920 120.400 -0.156 0.000 2.355 576 D HA -0.090 4.553 4.640 0.005 0.000 0.218 576 D C 1.900 178.156 176.300 -0.072 0.000 1.004 576 D CA 0.636 54.577 54.000 -0.098 0.000 0.880 576 D CB -0.345 40.413 40.800 -0.070 0.000 0.911 576 D HN 0.542 nan 8.370 nan 0.000 0.528 577 Q N 0.069 119.840 119.800 -0.048 0.000 2.187 577 Q HA 0.113 4.456 4.340 0.005 0.000 0.199 577 Q C 0.555 176.608 176.000 0.089 0.000 0.957 577 Q CA 0.204 56.030 55.803 0.038 0.000 0.857 577 Q CB 0.184 29.002 28.738 0.133 0.000 0.929 577 Q HN 0.371 nan 8.270 nan 0.000 0.453 578 L N 3.639 124.871 121.223 0.015 0.000 2.485 578 L HA 0.087 4.430 4.340 0.005 0.000 0.275 578 L C -1.848 175.045 176.870 0.037 0.000 1.207 578 L CA -1.367 53.495 54.840 0.038 0.000 0.855 578 L CB -0.382 41.640 42.059 -0.060 0.000 1.114 578 L HN 0.022 nan 8.230 nan 0.000 0.485 579 P HA 0.213 nan 4.420 nan 0.000 0.279 579 P C -1.027 176.405 177.300 0.221 0.000 1.239 579 P CA -0.492 62.684 63.100 0.127 0.000 0.789 579 P CB 1.597 33.356 31.700 0.097 0.000 0.933 580 M N 2.999 122.729 119.600 0.216 0.000 2.182 580 M HA 0.324 4.807 4.480 0.005 0.000 0.266 580 M C -1.945 174.490 176.300 0.225 0.000 0.989 580 M CA -0.268 55.165 55.300 0.221 0.000 1.003 580 M CB 1.091 33.868 32.600 0.294 0.000 1.812 580 M HN 0.227 nan 8.290 nan 0.000 0.472 581 N N 2.073 120.835 118.700 0.104 0.000 2.321 581 N HA 0.585 5.328 4.740 0.005 0.000 0.290 581 N C -0.905 174.368 175.510 -0.396 0.000 1.212 581 N CA -0.807 52.243 53.050 0.000 0.000 0.767 581 N CB 2.143 40.621 38.487 -0.016 0.000 1.494 581 N HN 0.455 nan 8.380 nan 0.000 0.479 582 V N -0.449 119.123 119.914 -0.570 0.000 2.625 582 V HA 0.360 4.483 4.120 0.005 0.000 0.305 582 V C 1.263 177.043 176.094 -0.524 0.000 1.055 582 V CA 0.922 62.679 62.300 -0.905 0.000 1.209 582 V CB -0.346 31.245 31.823 -0.386 0.000 0.877 582 V HN 1.022 nan 8.190 nan 0.000 0.489 583 G N 2.594 111.085 108.800 -0.514 0.000 2.238 583 G HA2 -0.181 3.782 3.960 0.005 0.000 0.217 583 G HA3 -0.181 3.782 3.960 0.005 0.000 0.217 583 G C -0.044 174.754 174.900 -0.171 0.000 0.996 583 G CA 0.108 45.063 45.100 -0.241 0.000 0.632 583 G HN 0.854 nan 8.290 nan 0.000 0.503 584 D N 0.377 120.649 120.400 -0.214 0.000 2.358 584 D HA 0.596 5.239 4.640 0.005 0.000 0.244 584 D C 1.595 177.864 176.300 -0.052 0.000 1.163 584 D CA 0.413 54.343 54.000 -0.117 0.000 0.945 584 D CB 1.213 41.902 40.800 -0.186 0.000 1.152 584 D HN 0.331 nan 8.370 nan 0.000 0.451 585 A N 1.200 124.022 122.820 0.003 0.000 1.832 585 A HA -0.194 4.129 4.320 0.005 0.000 0.214 585 A C 1.491 179.128 177.584 0.089 0.000 1.204 585 A CA 1.621 53.695 52.037 0.061 0.000 0.606 585 A CB -1.207 17.850 19.000 0.094 0.000 0.849 585 A HN 0.811 nan 8.150 nan 0.000 0.445 586 H N -2.948 116.183 119.070 0.101 0.000 2.573 586 H HA 0.064 4.623 4.556 0.005 0.000 0.279 586 H C 0.149 175.563 175.328 0.143 0.000 1.066 586 H CA -0.031 56.075 56.048 0.096 0.000 1.179 586 H CB -1.142 28.660 29.762 0.068 0.000 1.303 586 H HN 0.412 nan 8.280 nan 0.000 0.626 587 Y N 2.253 122.409 120.300 -0.241 0.000 2.781 587 Y HA -0.019 4.535 4.550 0.005 0.000 0.365 587 Y C -0.261 175.621 175.900 -0.029 0.000 1.291 587 Y CA -0.505 57.492 58.100 -0.172 0.000 1.772 587 Y CB -0.577 37.820 38.460 -0.105 0.000 1.361 587 Y HN 0.509 nan 8.280 nan 0.000 0.484 588 D N 8.150 128.428 120.400 -0.203 0.000 2.517 588 D HA 0.269 4.912 4.640 0.005 0.000 0.301 588 D C -2.784 173.365 176.300 -0.251 0.000 1.202 588 D CA -2.065 51.824 54.000 -0.184 0.000 0.910 588 D CB 0.592 41.383 40.800 -0.015 0.000 1.021 588 D HN 0.236 nan 8.370 nan 0.000 0.499 589 P HA 0.047 nan 4.420 nan 0.000 0.275 589 P C 0.336 177.514 177.300 -0.203 0.000 1.266 589 P CA -0.557 62.354 63.100 -0.315 0.000 0.793 589 P CB 1.506 32.927 31.700 -0.466 0.000 1.074 590 L N -1.068 120.076 121.223 -0.131 0.000 2.609 590 L HA 0.469 4.812 4.340 0.005 0.000 0.230 590 L C -0.339 176.067 176.870 -0.775 0.000 1.087 590 L CA 0.595 55.230 54.840 -0.342 0.000 0.874 590 L CB -0.063 41.915 42.059 -0.136 0.000 1.114 590 L HN 0.217 nan 8.230 nan 0.000 0.488 591 F N 1.276 121.143 119.950 -0.138 0.000 2.911 591 F HA 0.336 4.866 4.527 0.005 0.000 0.349 591 F C -0.139 175.683 175.800 0.036 0.000 1.222 591 F CA -1.047 56.827 58.000 -0.212 0.000 1.164 591 F CB 0.806 39.625 39.000 -0.302 0.000 1.454 591 F HN -0.088 nan 8.300 nan 0.000 0.616 592 R N 2.982 123.628 120.500 0.243 0.000 2.726 592 R HA 0.499 4.842 4.340 0.005 0.000 0.272 592 R C -0.249 176.281 176.300 0.382 0.000 1.097 592 R CA -0.767 55.529 56.100 0.327 0.000 1.198 592 R CB 1.118 31.609 30.300 0.317 0.000 1.114 592 R HN 0.788 nan 8.270 nan 0.000 0.550 593 L N 0.375 121.812 121.223 0.357 0.000 2.483 593 L HA 0.170 4.513 4.340 0.005 0.000 0.276 593 L C 0.943 177.960 176.870 0.245 0.000 1.213 593 L CA 1.620 56.622 54.840 0.269 0.000 0.843 593 L CB 0.407 42.576 42.059 0.184 0.000 1.107 593 L HN 1.078 nan 8.230 nan 0.000 0.487 594 G N 2.424 111.353 108.800 0.215 0.000 2.225 594 G HA2 -0.374 3.590 3.960 0.005 0.000 0.254 594 G HA3 -0.374 3.590 3.960 0.005 0.000 0.254 594 G C -0.024 174.989 174.900 0.188 0.000 0.988 594 G CA 0.358 45.561 45.100 0.171 0.000 0.625 594 G HN 0.796 nan 8.290 nan 0.000 0.527 595 Y N 1.652 122.044 120.300 0.154 0.000 2.511 595 Y HA 0.426 4.980 4.550 0.005 0.000 0.332 595 Y C 0.654 176.602 175.900 0.079 0.000 1.177 595 Y CA 1.011 59.193 58.100 0.136 0.000 1.422 595 Y CB 1.016 39.604 38.460 0.213 0.000 1.271 595 Y HN 0.784 nan 8.280 nan 0.000 0.550 596 G N 7.177 115.598 108.800 -0.631 0.000 2.193 596 G HA2 0.289 4.252 3.960 0.005 0.000 0.305 596 G HA3 0.289 4.252 3.960 0.005 0.000 0.305 596 G C -1.774 172.859 174.900 -0.445 0.000 1.427 596 G CA -0.927 43.939 45.100 -0.389 0.000 1.137 596 G HN 0.770 nan 8.290 nan 0.000 0.576 597 L N 1.584 122.546 121.223 -0.435 0.000 2.464 597 L HA 0.688 5.031 4.340 0.005 0.000 0.264 597 L C 1.306 178.088 176.870 -0.147 0.000 1.199 597 L CA -0.223 54.447 54.840 -0.284 0.000 0.818 597 L CB 1.415 43.334 42.059 -0.234 0.000 1.102 597 L HN 0.724 nan 8.230 nan 0.000 0.473 598 T N -1.844 112.665 114.554 -0.074 0.000 2.864 598 T HA 0.833 5.186 4.350 0.005 0.000 0.289 598 T C -0.407 174.335 174.700 0.070 0.000 1.082 598 T CA -0.380 61.747 62.100 0.045 0.000 1.009 598 T CB 2.214 71.111 68.868 0.047 0.000 1.234 598 T HN 0.771 nan 8.240 nan 0.000 0.526 599 T N -1.052 113.600 114.554 0.163 0.000 2.762 599 T HA 0.656 5.009 4.350 0.005 0.000 0.301 599 T C -1.393 173.375 174.700 0.114 0.000 1.299 599 T CA -1.059 61.127 62.100 0.142 0.000 1.005 599 T CB 1.060 70.067 68.868 0.231 0.000 1.377 599 T HN 0.760 nan 8.240 nan 0.000 0.504 600 N N -0.568 118.177 118.700 0.074 0.000 2.292 600 N HA 0.736 5.479 4.740 0.005 0.000 0.303 600 N C 0.192 175.713 175.510 0.019 0.000 1.140 600 N CA -0.705 52.370 53.050 0.042 0.000 0.788 600 N CB 1.867 40.368 38.487 0.024 0.000 1.361 600 N HN 1.022 nan 8.380 nan 0.000 0.489 601 A N 0.427 123.237 122.820 -0.018 0.000 2.227 601 A HA 0.367 4.690 4.320 0.005 0.000 0.279 601 A C 0.584 178.127 177.584 -0.068 0.000 1.367 601 A CA 0.386 52.376 52.037 -0.078 0.000 0.824 601 A CB -1.001 17.891 19.000 -0.179 0.000 1.214 601 A HN 0.985 nan 8.150 nan 0.000 0.514 602 T N 0.000 114.486 114.554 -0.113 0.000 3.816 602 T HA 0.000 4.353 4.350 0.005 0.000 0.228 602 T CA 0.000 62.052 62.100 -0.080 0.000 1.349 602 T CB 0.000 68.817 68.868 -0.085 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658