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 1ex1_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 0.000 176.350 176.300 0.083 0.000 2.045 1 D CA 0.000 54.039 54.000 0.066 0.000 0.868 1 D CB 0.000 40.843 40.800 0.072 0.000 0.688 2 Y N 0.780 121.068 120.300 -0.020 0.000 2.359 2 Y HA 0.493 5.047 4.550 0.005 0.000 0.330 2 Y C -0.616 175.257 175.900 -0.045 0.000 1.143 2 Y CA -0.227 57.853 58.100 -0.033 0.000 1.318 2 Y CB 0.977 39.420 38.460 -0.029 0.000 1.234 2 Y HN 0.255 nan 8.280 nan 0.000 0.522 3 V N 9.290 128.776 119.914 -0.714 0.000 2.326 3 V HA 0.073 4.197 4.120 0.007 0.000 0.281 3 V C 0.581 176.126 176.094 -0.913 0.000 1.015 3 V CA -0.709 61.212 62.300 -0.630 0.000 0.823 3 V CB 0.747 32.289 31.823 -0.469 0.000 1.009 3 V HN 0.938 nan 8.190 nan 0.000 0.436 4 L N 6.134 126.947 121.223 -0.683 0.000 2.093 4 L HA -0.083 4.261 4.340 0.007 0.000 0.208 4 L C 2.169 178.865 176.870 -0.290 0.000 1.085 4 L CA 2.227 56.779 54.840 -0.479 0.000 0.755 4 L CB -1.312 40.722 42.059 -0.042 0.000 0.904 4 L HN 0.743 nan 8.230 nan 0.000 0.435 5 Y N 0.142 120.292 120.300 -0.250 0.000 2.315 5 Y HA -0.111 4.443 4.550 0.008 0.000 0.288 5 Y C 2.049 177.857 175.900 -0.154 0.000 1.154 5 Y CA 1.623 59.578 58.100 -0.241 0.000 1.229 5 Y CB -0.980 37.409 38.460 -0.118 0.000 0.980 5 Y HN 0.197 nan 8.280 nan 0.000 0.540 6 K N 0.270 120.334 120.400 -0.560 0.000 2.459 6 K HA -0.053 4.271 4.320 0.007 0.000 0.193 6 K C 0.019 176.521 176.600 -0.163 0.000 1.030 6 K CA 0.507 56.596 56.287 -0.329 0.000 1.026 6 K CB -0.004 32.230 32.500 -0.443 0.000 0.809 6 K HN 0.202 nan 8.250 nan 0.000 0.504 7 D N 0.410 120.701 120.400 -0.183 0.000 2.365 7 D HA 0.105 4.749 4.640 0.007 0.000 0.237 7 D C 0.577 176.865 176.300 -0.021 0.000 1.190 7 D CA -0.196 53.770 54.000 -0.057 0.000 0.867 7 D CB 1.298 42.109 40.800 0.019 0.000 1.050 7 D HN 0.125 nan 8.370 nan 0.000 0.491 8 A N 2.958 125.790 122.820 0.019 0.000 2.172 8 A HA -0.109 4.215 4.320 0.007 0.000 0.216 8 A C 1.828 179.426 177.584 0.024 0.000 1.154 8 A CA 1.557 53.615 52.037 0.035 0.000 0.701 8 A CB -0.516 18.521 19.000 0.061 0.000 0.789 8 A HN 0.625 nan 8.150 nan 0.000 0.465 9 T N -2.936 111.633 114.554 0.024 0.000 3.129 9 T HA 0.151 4.505 4.350 0.007 0.000 0.251 9 T C 0.566 175.269 174.700 0.005 0.000 1.117 9 T CA -0.127 61.985 62.100 0.020 0.000 1.034 9 T CB -0.061 68.824 68.868 0.028 0.000 0.968 9 T HN 0.136 nan 8.240 nan 0.000 0.526 10 K N 2.490 122.880 120.400 -0.017 0.000 2.098 10 K HA 0.472 4.795 4.320 0.007 0.000 0.261 10 K C -2.836 173.722 176.600 -0.070 0.000 0.987 10 K CA -3.029 53.236 56.287 -0.038 0.000 0.916 10 K CB 0.307 32.774 32.500 -0.054 0.000 1.039 10 K HN 0.080 nan 8.250 nan 0.000 0.455 11 P HA -0.045 nan 4.420 nan 0.000 0.264 11 P C 1.092 178.308 177.300 -0.139 0.000 1.183 11 P CA -0.093 62.964 63.100 -0.071 0.000 0.763 11 P CB 0.367 32.034 31.700 -0.054 0.000 0.807 12 V N 2.681 122.522 119.914 -0.122 0.000 2.252 12 V HA -0.302 3.822 4.120 0.007 0.000 0.255 12 V C 2.218 178.186 176.094 -0.209 0.000 1.071 12 V CA 2.049 64.246 62.300 -0.171 0.000 1.050 12 V CB -0.825 30.979 31.823 -0.032 0.000 0.654 12 V HN 0.613 nan 8.190 nan 0.000 0.448 13 E N -0.374 119.750 120.200 -0.126 0.000 2.204 13 E HA -0.168 4.186 4.350 0.007 0.000 0.194 13 E C 1.943 178.459 176.600 -0.140 0.000 0.989 13 E CA 1.127 57.461 56.400 -0.110 0.000 0.824 13 E CB -0.402 29.256 29.700 -0.070 0.000 0.756 13 E HN 0.682 nan 8.360 nan 0.000 0.477 14 D N 0.402 120.711 120.400 -0.153 0.000 2.162 14 D HA -0.056 4.587 4.640 0.007 0.000 0.203 14 D C 1.981 178.151 176.300 -0.217 0.000 0.967 14 D CA 0.542 54.458 54.000 -0.139 0.000 0.840 14 D CB -0.122 40.619 40.800 -0.098 0.000 0.972 14 D HN 0.157 nan 8.370 nan 0.000 0.482 15 R N 0.554 120.819 120.500 -0.392 0.000 2.115 15 R HA -0.032 4.311 4.340 0.007 0.000 0.230 15 R C 2.404 178.334 176.300 -0.616 0.000 1.111 15 R CA 0.485 56.201 56.100 -0.641 0.000 0.976 15 R CB -0.238 29.329 30.300 -1.222 0.000 0.870 15 R HN 0.052 nan 8.270 nan 0.000 0.445 16 V N 1.003 120.634 119.914 -0.472 0.000 2.307 16 V HA -0.201 3.923 4.120 0.007 0.000 0.245 16 V C 2.439 178.482 176.094 -0.084 0.000 1.045 16 V CA 1.980 64.194 62.300 -0.143 0.000 1.024 16 V CB -0.625 31.179 31.823 -0.032 0.000 0.651 16 V HN 0.391 nan 8.190 nan 0.000 0.449 17 A N 0.045 122.805 122.820 -0.100 0.000 1.902 17 A HA -0.307 4.016 4.320 0.007 0.000 0.217 17 A C 2.017 179.569 177.584 -0.054 0.000 1.181 17 A CA 2.262 54.262 52.037 -0.063 0.000 0.623 17 A CB -0.726 18.240 19.000 -0.058 0.000 0.818 17 A HN 0.638 nan 8.150 nan 0.000 0.443 18 D N -0.835 119.528 120.400 -0.060 0.000 2.117 18 D HA -0.147 4.496 4.640 0.007 0.000 0.197 18 D C 1.756 178.053 176.300 -0.005 0.000 0.987 18 D CA 1.381 55.375 54.000 -0.011 0.000 0.829 18 D CB -0.123 40.685 40.800 0.013 0.000 0.961 18 D HN 0.260 nan 8.370 nan 0.000 0.460 19 L N 0.058 121.235 121.223 -0.076 0.000 2.072 19 L HA 0.080 4.424 4.340 0.007 0.000 0.205 19 L C 1.999 178.773 176.870 -0.160 0.000 1.079 19 L CA 1.259 55.939 54.840 -0.267 0.000 0.752 19 L CB -0.981 40.831 42.059 -0.411 0.000 0.906 19 L HN 0.238 nan 8.230 nan 0.000 0.436 20 L N 0.086 121.256 121.223 -0.088 0.000 2.083 20 L HA -0.000 4.344 4.340 0.007 0.000 0.209 20 L C 2.232 179.065 176.870 -0.062 0.000 1.083 20 L CA 2.035 56.835 54.840 -0.067 0.000 0.752 20 L CB -1.304 40.730 42.059 -0.042 0.000 0.899 20 L HN 0.310 nan 8.230 nan 0.000 0.433 21 G N -1.079 107.693 108.800 -0.047 0.000 2.559 21 G HA2 -0.179 3.785 3.960 0.007 0.000 0.216 21 G HA3 -0.179 3.785 3.960 0.007 0.000 0.216 21 G C 1.569 176.450 174.900 -0.032 0.000 1.126 21 G CA 0.439 45.520 45.100 -0.033 0.000 0.778 21 G HN 0.450 nan 8.290 nan 0.000 0.543 22 R N -0.971 119.503 120.500 -0.045 0.000 2.312 22 R HA 0.330 4.673 4.340 0.007 0.000 0.205 22 R C 0.713 176.970 176.300 -0.071 0.000 0.904 22 R CA -0.194 55.882 56.100 -0.039 0.000 1.052 22 R CB 0.219 30.511 30.300 -0.013 0.000 1.014 22 R HN 0.311 nan 8.270 nan 0.000 0.503 23 M N 1.222 120.765 119.600 -0.094 0.000 2.249 23 M HA 0.095 4.579 4.480 0.007 0.000 0.351 23 M C 0.715 176.939 176.300 -0.126 0.000 1.180 23 M CA -0.179 55.041 55.300 -0.132 0.000 1.127 23 M CB 1.575 34.095 32.600 -0.132 0.000 1.546 23 M HN 0.053 nan 8.290 nan 0.000 0.461 24 T N -0.414 114.039 114.554 -0.169 0.000 2.732 24 T HA 0.181 4.534 4.350 0.007 0.000 0.287 24 T C 0.817 175.436 174.700 -0.134 0.000 0.993 24 T CA -0.833 61.183 62.100 -0.140 0.000 0.966 24 T CB 0.655 69.429 68.868 -0.156 0.000 1.047 24 T HN 0.618 nan 8.240 nan 0.000 0.527 25 L N 1.127 122.295 121.223 -0.091 0.000 2.046 25 L HA 0.153 4.497 4.340 0.007 0.000 0.208 25 L C 2.804 179.635 176.870 -0.065 0.000 1.077 25 L CA 2.314 57.115 54.840 -0.065 0.000 0.747 25 L CB -1.644 40.390 42.059 -0.042 0.000 0.896 25 L HN 0.914 nan 8.230 nan 0.000 0.432 26 A N -0.926 121.853 122.820 -0.068 0.000 1.933 26 A HA -0.234 4.090 4.320 0.007 0.000 0.218 26 A C 2.201 179.740 177.584 -0.075 0.000 1.175 26 A CA 1.905 53.937 52.037 -0.008 0.000 0.628 26 A CB -0.586 18.472 19.000 0.096 0.000 0.814 26 A HN 0.606 nan 8.150 nan 0.000 0.444 27 E N -0.362 119.643 120.200 -0.326 0.000 2.072 27 E HA -0.139 4.215 4.350 0.007 0.000 0.190 27 E C 2.077 178.594 176.600 -0.139 0.000 0.982 27 E CA 1.170 57.332 56.400 -0.397 0.000 0.803 27 E CB -0.090 29.286 29.700 -0.541 0.000 0.755 27 E HN 0.583 nan 8.360 nan 0.000 0.453 28 K N 0.521 120.855 120.400 -0.109 0.000 2.026 28 K HA -0.121 4.203 4.320 0.007 0.000 0.208 28 K C 2.103 178.695 176.600 -0.014 0.000 1.048 28 K CA 1.107 57.359 56.287 -0.059 0.000 0.929 28 K CB -0.111 32.357 32.500 -0.054 0.000 0.713 28 K HN 0.117 nan 8.250 nan 0.000 0.439 29 I N 0.622 121.194 120.570 0.004 0.000 2.394 29 I HA -0.173 4.001 4.170 0.007 0.000 0.251 29 I C 2.418 178.601 176.117 0.110 0.000 1.136 29 I CA 1.055 62.385 61.300 0.049 0.000 1.425 29 I CB -0.484 37.520 38.000 0.006 0.000 1.079 29 I HN 0.302 nan 8.210 nan 0.000 0.425 30 G N 0.030 108.895 108.800 0.108 0.000 2.418 30 G HA2 -0.238 3.726 3.960 0.007 0.000 0.217 30 G HA3 -0.238 3.726 3.960 0.007 0.000 0.217 30 G C 1.548 176.486 174.900 0.063 0.000 1.158 30 G CA 0.332 45.512 45.100 0.134 0.000 0.771 30 G HN 0.260 nan 8.290 nan 0.000 0.545 31 Q N -0.023 119.787 119.800 0.017 0.000 2.135 31 Q HA -0.005 4.339 4.340 0.007 0.000 0.204 31 Q C 2.525 178.486 176.000 -0.066 0.000 0.981 31 Q CA 1.038 56.813 55.803 -0.046 0.000 0.856 31 Q CB -0.331 28.363 28.738 -0.074 0.000 0.902 31 Q HN 0.556 nan 8.270 nan 0.000 0.425 32 M N 0.015 119.617 119.600 0.004 0.000 2.659 32 M HA -0.008 4.476 4.480 0.007 0.000 0.243 32 M C -0.001 176.320 176.300 0.035 0.000 1.111 32 M CA 0.470 55.783 55.300 0.022 0.000 1.070 32 M CB 0.238 32.918 32.600 0.132 0.000 1.525 32 M HN -0.187 nan 8.290 nan 0.000 0.517 33 T N 1.279 115.860 114.554 0.044 0.000 2.758 33 T HA 0.296 4.650 4.350 0.007 0.000 0.285 33 T C -0.486 174.166 174.700 -0.080 0.000 0.981 33 T CA -0.535 61.566 62.100 0.000 0.000 0.965 33 T CB 1.523 70.484 68.868 0.155 0.000 0.927 33 T HN 0.222 nan 8.240 nan 0.000 0.448 34 Q N 4.049 123.770 119.800 -0.132 0.000 2.316 34 Q HA 0.692 5.036 4.340 0.007 0.000 0.264 34 Q C -0.925 174.986 176.000 -0.148 0.000 0.987 34 Q CA -0.860 54.879 55.803 -0.107 0.000 0.852 34 Q CB 0.895 29.614 28.738 -0.032 0.000 1.287 34 Q HN 0.826 nan 8.270 nan 0.000 0.448 35 I N -0.683 119.784 120.570 -0.171 0.000 2.785 35 I HA 0.569 4.743 4.170 0.007 0.000 0.302 35 I C -0.363 175.630 176.117 -0.206 0.000 1.069 35 I CA -1.130 60.058 61.300 -0.186 0.000 1.045 35 I CB 2.092 39.976 38.000 -0.194 0.000 1.236 35 I HN 0.459 nan 8.210 nan 0.000 0.429 36 E N 3.263 123.352 120.200 -0.185 0.000 2.392 36 E HA 0.053 4.407 4.350 0.007 0.000 0.264 36 E C 0.881 177.417 176.600 -0.108 0.000 1.024 36 E CA -0.011 56.322 56.400 -0.111 0.000 0.903 36 E CB 1.381 31.033 29.700 -0.081 0.000 0.963 36 E HN 0.778 nan 8.360 nan 0.000 0.432 37 R N 3.472 123.938 120.500 -0.056 0.000 2.159 37 R HA -0.149 4.195 4.340 0.007 0.000 0.237 37 R C 2.002 178.329 176.300 0.045 0.000 1.131 37 R CA 1.165 57.234 56.100 -0.052 0.000 0.982 37 R CB -0.413 30.024 30.300 0.227 0.000 0.868 37 R HN 0.418 nan 8.270 nan 0.000 0.453 38 L N 1.583 122.853 121.223 0.078 0.000 2.191 38 L HA -0.094 4.250 4.340 0.007 0.000 0.212 38 L C 2.014 178.919 176.870 0.058 0.000 1.103 38 L CA 0.919 55.809 54.840 0.084 0.000 0.769 38 L CB -0.061 42.053 42.059 0.091 0.000 0.908 38 L HN 0.282 nan 8.230 nan 0.000 0.438 39 V N -4.376 115.553 119.914 0.025 0.000 3.542 39 V HA 0.449 4.573 4.120 0.007 0.000 0.296 39 V C 0.865 176.959 176.094 -0.001 0.000 1.364 39 V CA -0.151 62.182 62.300 0.055 0.000 1.118 39 V CB -0.601 31.298 31.823 0.125 0.000 0.972 39 V HN 0.131 nan 8.190 nan 0.000 0.430 40 A N 0.101 122.875 122.820 -0.076 0.000 2.302 40 A HA 0.793 5.117 4.320 0.007 0.000 0.285 40 A C 0.161 177.761 177.584 0.027 0.000 1.105 40 A CA 0.014 51.951 52.037 -0.166 0.000 0.816 40 A CB 1.064 19.769 19.000 -0.491 0.000 1.067 40 A HN 0.422 nan 8.150 nan 0.000 0.489 41 T N 1.324 115.897 114.554 0.032 0.000 2.843 41 T HA 0.503 4.857 4.350 0.007 0.000 0.302 41 T C -2.208 172.548 174.700 0.093 0.000 1.232 41 T CA -0.655 61.511 62.100 0.110 0.000 1.009 41 T CB 1.848 70.744 68.868 0.048 0.000 1.254 41 T HN 0.317 nan 8.240 nan 0.000 0.504 42 P HA -0.092 nan 4.420 nan 0.000 0.215 42 P C 0.976 178.281 177.300 0.007 0.000 1.157 42 P CA 1.153 64.296 63.100 0.072 0.000 0.868 42 P CB 0.194 31.927 31.700 0.054 0.000 0.788 43 D N -0.820 119.575 120.400 -0.009 0.000 2.117 43 D HA -0.097 4.547 4.640 0.007 0.000 0.197 43 D C 2.031 178.279 176.300 -0.086 0.000 0.987 43 D CA 1.046 55.020 54.000 -0.043 0.000 0.829 43 D CB -0.576 40.209 40.800 -0.025 0.000 0.961 43 D HN -0.007 nan 8.370 nan 0.000 0.460 44 V N 1.664 121.526 119.914 -0.086 0.000 2.287 44 V HA -0.246 3.878 4.120 0.007 0.000 0.248 44 V C 2.674 178.631 176.094 -0.228 0.000 1.053 44 V CA 1.346 63.544 62.300 -0.169 0.000 1.027 44 V CB -0.488 31.195 31.823 -0.234 0.000 0.646 44 V HN 0.179 nan 8.190 nan 0.000 0.447 45 L N -0.753 120.363 121.223 -0.178 0.000 2.056 45 L HA -0.131 4.213 4.340 0.007 0.000 0.207 45 L C 2.715 179.482 176.870 -0.171 0.000 1.078 45 L CA 1.696 56.436 54.840 -0.167 0.000 0.749 45 L CB -0.590 41.418 42.059 -0.085 0.000 0.901 45 L HN 0.232 nan 8.230 nan 0.000 0.433 46 R N 0.167 120.570 120.500 -0.161 0.000 2.073 46 R HA -0.131 4.213 4.340 0.007 0.000 0.229 46 R C 1.633 177.660 176.300 -0.456 0.000 1.120 46 R CA 1.580 57.552 56.100 -0.213 0.000 0.967 46 R CB -0.007 30.223 30.300 -0.116 0.000 0.862 46 R HN 0.312 nan 8.270 nan 0.000 0.436 47 D N 0.032 120.203 120.400 -0.380 0.000 2.277 47 D HA -0.054 4.590 4.640 0.007 0.000 0.208 47 D C 0.750 176.684 176.300 -0.611 0.000 0.962 47 D CA 0.742 54.459 54.000 -0.473 0.000 0.865 47 D CB -0.041 40.626 40.800 -0.221 0.000 0.939 47 D HN 0.265 nan 8.370 nan 0.000 0.510 48 N N 0.058 118.498 118.700 -0.433 0.000 2.205 48 N HA 0.014 4.758 4.740 0.007 0.000 0.201 48 N C -0.160 175.311 175.510 -0.064 0.000 1.128 48 N CA -0.076 52.852 53.050 -0.203 0.000 0.867 48 N CB 0.721 39.148 38.487 -0.100 0.000 0.996 48 N HN 0.012 nan 8.380 nan 0.000 0.503 49 F N 0.248 120.174 119.950 -0.040 0.000 3.080 49 F HA -0.208 4.323 4.527 0.006 0.000 0.292 49 F C 0.112 175.875 175.800 -0.061 0.000 0.891 49 F CA -0.156 57.819 58.000 -0.041 0.000 1.086 49 F CB -2.074 36.910 39.000 -0.027 0.000 1.095 49 F HN -0.010 nan 8.300 nan 0.000 0.633 50 I N 0.724 121.295 120.570 0.002 0.000 2.775 50 I HA 0.005 4.179 4.170 0.007 0.000 0.290 50 I C 1.786 177.875 176.117 -0.047 0.000 1.203 50 I CA 1.184 62.456 61.300 -0.047 0.000 1.433 50 I CB 0.329 38.240 38.000 -0.149 0.000 1.354 50 I HN 0.379 nan 8.210 nan 0.000 0.579 51 G N 4.162 112.928 108.800 -0.057 0.000 2.595 51 G HA2 0.054 4.018 3.960 0.007 0.000 0.213 51 G HA3 0.054 4.018 3.960 0.007 0.000 0.213 51 G C 0.603 175.445 174.900 -0.096 0.000 1.141 51 G CA 0.336 45.384 45.100 -0.086 0.000 0.806 51 G HN 0.573 nan 8.290 nan 0.000 0.530 52 S N -1.414 114.231 115.700 -0.092 0.000 2.547 52 S HA 0.706 5.180 4.470 0.007 0.000 0.270 52 S C -1.596 172.925 174.600 -0.132 0.000 1.150 52 S CA -0.693 57.466 58.200 -0.069 0.000 0.850 52 S CB 1.111 64.310 63.200 -0.002 0.000 1.118 52 S HN 0.078 nan 8.310 nan 0.000 0.461 53 L N 3.065 124.167 121.223 -0.201 0.000 2.309 53 L HA 0.813 5.157 4.340 0.007 0.000 0.261 53 L C -0.900 175.663 176.870 -0.512 0.000 1.021 53 L CA -0.987 53.612 54.840 -0.403 0.000 0.823 53 L CB 1.942 43.650 42.059 -0.585 0.000 1.366 53 L HN 0.784 nan 8.230 nan 0.000 0.423 54 L N -1.953 119.015 121.223 -0.424 0.000 2.409 54 L HA 0.711 5.055 4.340 0.007 0.000 0.255 54 L C -0.945 175.899 176.870 -0.044 0.000 1.027 54 L CA -0.510 54.176 54.840 -0.257 0.000 0.834 54 L CB 2.362 44.552 42.059 0.218 0.000 1.426 54 L HN 0.366 nan 8.230 nan 0.000 0.411 55 S N 0.645 116.523 115.700 0.297 0.000 2.438 55 S HA 0.630 5.104 4.470 0.007 0.000 0.293 55 S C 0.369 175.244 174.600 0.458 0.000 1.141 55 S CA -0.148 58.324 58.200 0.452 0.000 1.080 55 S CB 1.183 64.756 63.200 0.623 0.000 0.978 55 S HN 0.996 nan 8.310 nan 0.000 0.479 56 G N 2.111 111.189 108.800 0.463 0.000 2.631 56 G HA2 0.461 4.425 3.960 0.007 0.000 0.271 56 G HA3 0.461 4.425 3.960 0.007 0.000 0.271 56 G C 0.475 175.517 174.900 0.237 0.000 1.302 56 G CA -0.486 44.792 45.100 0.297 0.000 1.002 56 G HN 0.814 nan 8.290 nan 0.000 0.519 57 G N -1.988 106.869 108.800 0.095 0.000 2.380 57 G HA2 0.510 4.474 3.960 0.007 0.000 0.242 57 G HA3 0.510 4.474 3.960 0.007 0.000 0.242 57 G C 1.238 176.277 174.900 0.232 0.000 1.298 57 G CA 0.715 46.006 45.100 0.319 0.000 0.878 57 G HN 1.968 nan 8.290 nan 0.000 0.542 58 G N 0.523 109.507 108.800 0.306 0.000 2.168 58 G HA2 -0.258 3.706 3.960 0.007 0.000 0.263 58 G HA3 -0.258 3.706 3.960 0.007 0.000 0.263 58 G C 0.818 175.860 174.900 0.236 0.000 0.977 58 G CA 0.806 46.059 45.100 0.255 0.000 0.659 58 G HN 1.554 nan 8.290 nan 0.000 0.533 59 S N 0.331 116.194 115.700 0.272 0.000 2.642 59 S HA 0.607 5.080 4.470 0.007 0.000 0.309 59 S C 0.314 175.077 174.600 0.271 0.000 1.125 59 S CA 0.171 58.520 58.200 0.249 0.000 1.055 59 S CB 0.191 63.551 63.200 0.267 0.000 1.157 59 S HN 1.663 nan 8.310 nan 0.000 0.513 60 V N 3.679 123.679 119.914 0.144 0.000 2.914 60 V HA 0.705 4.829 4.120 0.007 0.000 0.314 60 V C -2.031 173.934 176.094 -0.216 0.000 1.084 60 V CA -2.068 60.204 62.300 -0.046 0.000 0.963 60 V CB 1.228 33.152 31.823 0.169 0.000 1.025 60 V HN 0.446 nan 8.190 nan 0.000 0.432 61 P HA 0.074 nan 4.420 nan 0.000 0.217 61 P C 0.214 177.387 177.300 -0.212 0.000 1.150 61 P CA 1.022 63.904 63.100 -0.362 0.000 0.832 61 P CB 0.195 31.570 31.700 -0.541 0.000 0.787 62 R N -1.925 118.462 120.500 -0.187 0.000 2.692 62 R HA 0.308 4.652 4.340 0.007 0.000 0.269 62 R C -0.691 175.585 176.300 -0.040 0.000 1.030 62 R CA -1.068 54.977 56.100 -0.091 0.000 0.882 62 R CB 1.109 31.355 30.300 -0.090 0.000 1.250 62 R HN -0.298 nan 8.270 nan 0.000 0.465 63 K N 0.829 121.220 120.400 -0.015 0.000 2.451 63 K HA 0.103 4.427 4.320 0.007 0.000 0.280 63 K C 1.042 177.605 176.600 -0.061 0.000 1.020 63 K CA 1.243 57.530 56.287 -0.001 0.000 1.008 63 K CB 0.445 32.939 32.500 -0.010 0.000 0.917 63 K HN 0.915 nan 8.250 nan 0.000 0.478 64 G N 1.260 110.015 108.800 -0.075 0.000 2.176 64 G HA2 -0.305 3.659 3.960 0.007 0.000 0.253 64 G HA3 -0.305 3.659 3.960 0.007 0.000 0.253 64 G C 0.346 175.204 174.900 -0.070 0.000 0.979 64 G CA 0.206 45.129 45.100 -0.294 0.000 0.641 64 G HN 0.864 nan 8.290 nan 0.000 0.530 65 A N 0.983 123.837 122.820 0.056 0.000 2.546 65 A HA 0.564 4.888 4.320 0.007 0.000 0.243 65 A C 1.253 178.970 177.584 0.223 0.000 1.063 65 A CA 1.420 53.501 52.037 0.074 0.000 0.757 65 A CB -0.014 18.944 19.000 -0.070 0.000 0.991 65 A HN 1.868 nan 8.150 nan 0.000 0.503 66 T N -0.136 114.514 114.554 0.159 0.000 2.726 66 T HA 0.464 4.818 4.350 0.007 0.000 0.294 66 T C 1.431 176.298 174.700 0.278 0.000 1.013 66 T CA -0.004 62.209 62.100 0.190 0.000 0.996 66 T CB 0.810 69.742 68.868 0.106 0.000 1.016 66 T HN 1.227 nan 8.240 nan 0.000 0.529 67 A N 0.619 123.563 122.820 0.206 0.000 1.969 67 A HA -0.038 4.286 4.320 0.007 0.000 0.218 67 A C 2.359 180.057 177.584 0.190 0.000 1.169 67 A CA 1.149 53.303 52.037 0.195 0.000 0.635 67 A CB -0.725 18.326 19.000 0.086 0.000 0.810 67 A HN 0.875 nan 8.150 nan 0.000 0.445 68 K N -0.154 120.319 120.400 0.122 0.000 2.097 68 K HA -0.122 4.202 4.320 0.007 0.000 0.205 68 K C 1.771 178.411 176.600 0.066 0.000 1.050 68 K CA 1.318 57.653 56.287 0.080 0.000 0.938 68 K CB -0.217 32.308 32.500 0.042 0.000 0.718 68 K HN 0.617 nan 8.250 nan 0.000 0.442 69 E N 0.233 120.466 120.200 0.054 0.000 2.097 69 E HA -0.210 4.144 4.350 0.007 0.000 0.196 69 E C 1.838 178.408 176.600 -0.050 0.000 1.000 69 E CA 1.362 57.746 56.400 -0.027 0.000 0.804 69 E CB -0.172 29.482 29.700 -0.077 0.000 0.740 69 E HN 0.383 nan 8.360 nan 0.000 0.454 70 W N 1.513 122.796 121.300 -0.029 0.000 2.355 70 W HA -0.172 4.492 4.660 0.006 0.000 0.309 70 W C 2.510 178.982 176.519 -0.078 0.000 1.206 70 W CA 1.109 58.424 57.345 -0.051 0.000 1.284 70 W CB -0.288 29.148 29.460 -0.039 0.000 1.145 70 W HN 0.095 nan 8.180 nan 0.000 0.502 71 Q N -0.250 119.659 119.800 0.181 0.000 2.096 71 Q HA -0.219 4.125 4.340 0.007 0.000 0.204 71 Q C 1.619 177.635 176.000 0.028 0.000 0.982 71 Q CA 1.693 57.549 55.803 0.088 0.000 0.850 71 Q CB -0.474 28.308 28.738 0.072 0.000 0.901 71 Q HN 0.267 nan 8.270 nan 0.000 0.422 72 D N 0.239 120.634 120.400 -0.009 0.000 2.144 72 D HA -0.130 4.513 4.640 0.007 0.000 0.200 72 D C 1.739 177.963 176.300 -0.128 0.000 0.978 72 D CA 0.794 54.758 54.000 -0.061 0.000 0.833 72 D CB -0.174 40.582 40.800 -0.073 0.000 0.961 72 D HN 0.210 nan 8.370 nan 0.000 0.470 73 M N 0.482 119.984 119.600 -0.163 0.000 2.067 73 M HA -0.183 4.301 4.480 0.007 0.000 0.260 73 M C 1.927 178.057 176.300 -0.283 0.000 1.069 73 M CA 1.405 56.527 55.300 -0.296 0.000 1.117 73 M CB -0.013 32.425 32.600 -0.271 0.000 1.334 73 M HN -0.136 nan 8.290 nan 0.000 0.407 74 V N 1.042 120.912 119.914 -0.074 0.000 2.295 74 V HA -0.300 3.824 4.120 0.007 0.000 0.246 74 V C 1.870 178.033 176.094 0.114 0.000 1.049 74 V CA 2.191 64.529 62.300 0.063 0.000 1.024 74 V CB -1.143 30.673 31.823 -0.011 0.000 0.648 74 V HN 0.477 nan 8.190 nan 0.000 0.447 75 D N 0.773 121.225 120.400 0.086 0.000 2.149 75 D HA -0.125 4.519 4.640 0.007 0.000 0.198 75 D C 2.200 178.565 176.300 0.109 0.000 0.990 75 D CA 1.658 55.761 54.000 0.170 0.000 0.839 75 D CB -0.591 40.267 40.800 0.096 0.000 0.948 75 D HN 0.489 nan 8.370 nan 0.000 0.460 76 G N -0.241 108.526 108.800 -0.055 0.000 2.408 76 G HA2 -0.217 3.747 3.960 0.007 0.000 0.217 76 G HA3 -0.217 3.747 3.960 0.007 0.000 0.217 76 G C 1.308 176.193 174.900 -0.025 0.000 1.150 76 G CA 0.144 45.179 45.100 -0.108 0.000 0.776 76 G HN 0.156 nan 8.290 nan 0.000 0.542 77 F N 0.667 120.666 119.950 0.082 0.000 2.186 77 F HA 0.004 4.535 4.527 0.006 0.000 0.299 77 F C 2.772 178.619 175.800 0.079 0.000 1.090 77 F CA 1.154 59.203 58.000 0.082 0.000 1.307 77 F CB -0.768 38.309 39.000 0.128 0.000 1.019 77 F HN 0.165 nan 8.300 nan 0.000 0.489 78 Q N 0.660 120.627 119.800 0.278 0.000 2.167 78 Q HA -0.125 4.219 4.340 0.007 0.000 0.202 78 Q C 1.975 178.097 176.000 0.202 0.000 0.970 78 Q CA 1.522 57.429 55.803 0.173 0.000 0.855 78 Q CB -0.170 28.619 28.738 0.084 0.000 0.911 78 Q HN 0.269 nan 8.270 nan 0.000 0.438 79 K N -0.683 119.886 120.400 0.281 0.000 2.097 79 K HA -0.063 4.261 4.320 0.007 0.000 0.205 79 K C 1.944 178.622 176.600 0.131 0.000 1.050 79 K CA 1.007 57.430 56.287 0.227 0.000 0.938 79 K CB -0.181 32.391 32.500 0.121 0.000 0.718 79 K HN 0.269 nan 8.250 nan 0.000 0.442 80 A N 0.834 123.723 122.820 0.116 0.000 1.877 80 A HA -0.195 4.129 4.320 0.007 0.000 0.216 80 A C 2.369 179.985 177.584 0.053 0.000 1.186 80 A CA 1.598 53.681 52.037 0.077 0.000 0.620 80 A CB -0.990 18.060 19.000 0.084 0.000 0.822 80 A HN 0.434 nan 8.150 nan 0.000 0.443 81 C N -0.648 118.682 119.300 0.051 0.000 2.429 81 C HA -0.089 4.375 4.460 0.007 0.000 0.277 81 C C 2.715 177.710 174.990 0.009 0.000 1.262 81 C CA 1.168 60.193 59.018 0.011 0.000 1.733 81 C CB -1.068 26.658 27.740 -0.023 0.000 2.010 81 C HN 0.561 nan 8.230 nan 0.000 0.483 82 M N 1.833 121.442 119.600 0.015 0.000 2.549 82 M HA -0.043 4.441 4.480 0.007 0.000 0.260 82 M C 2.084 178.422 176.300 0.063 0.000 1.076 82 M CA 1.285 56.598 55.300 0.022 0.000 1.090 82 M CB -1.455 31.179 32.600 0.056 0.000 1.418 82 M HN 0.608 nan 8.290 nan 0.000 0.486 83 S N -0.667 115.073 115.700 0.066 0.000 2.575 83 S HA 0.037 4.510 4.470 0.007 0.000 0.215 83 S C 0.918 175.560 174.600 0.071 0.000 0.966 83 S CA -0.089 58.150 58.200 0.065 0.000 0.911 83 S CB -0.727 62.505 63.200 0.053 0.000 0.780 83 S HN 0.526 nan 8.310 nan 0.000 0.514 84 T N -0.723 113.884 114.554 0.088 0.000 2.788 84 T HA 0.329 4.683 4.350 0.007 0.000 0.287 84 T C 1.022 175.818 174.700 0.160 0.000 1.007 84 T CA -0.696 61.492 62.100 0.146 0.000 1.005 84 T CB 0.972 69.978 68.868 0.229 0.000 1.012 84 T HN 0.295 nan 8.240 nan 0.000 0.530 85 R N -0.144 120.478 120.500 0.204 0.000 2.103 85 R HA -0.065 4.279 4.340 0.007 0.000 0.242 85 R C 1.953 178.337 176.300 0.140 0.000 1.142 85 R CA 1.630 57.819 56.100 0.147 0.000 0.960 85 R CB -0.594 29.786 30.300 0.134 0.000 0.858 85 R HN 0.777 nan 8.270 nan 0.000 0.439 86 L N -0.548 120.756 121.223 0.136 0.000 2.529 86 L HA 0.246 4.590 4.340 0.007 0.000 0.223 86 L C 1.097 178.104 176.870 0.228 0.000 1.113 86 L CA 0.365 55.314 54.840 0.183 0.000 0.861 86 L CB 0.148 42.241 42.059 0.057 0.000 1.012 86 L HN 0.523 nan 8.230 nan 0.000 0.461 87 G N 1.856 110.743 108.800 0.145 0.000 2.338 87 G HA2 -0.286 3.678 3.960 0.007 0.000 0.296 87 G HA3 -0.286 3.678 3.960 0.007 0.000 0.296 87 G C 0.091 174.985 174.900 -0.009 0.000 1.040 87 G CA -0.079 45.075 45.100 0.090 0.000 1.004 87 G HN 0.331 nan 8.290 nan 0.000 0.509 88 I N 1.878 122.404 120.570 -0.074 0.000 2.379 88 I HA 0.207 4.381 4.170 0.007 0.000 0.290 88 I C -1.365 174.516 176.117 -0.393 0.000 1.063 88 I CA -2.120 58.990 61.300 -0.316 0.000 1.351 88 I CB 0.905 38.815 38.000 -0.149 0.000 1.410 88 I HN 0.004 nan 8.210 nan 0.000 0.505 89 P HA 0.067 nan 4.420 nan 0.000 0.268 89 P C -0.526 176.595 177.300 -0.298 0.000 1.205 89 P CA -0.467 62.372 63.100 -0.435 0.000 0.771 89 P CB 0.662 32.039 31.700 -0.538 0.000 0.858 90 M N 2.688 122.191 119.600 -0.161 0.000 2.202 90 M HA 0.417 4.901 4.480 0.007 0.000 0.316 90 M C -0.248 176.021 176.300 -0.052 0.000 1.138 90 M CA -0.066 55.180 55.300 -0.091 0.000 1.151 90 M CB 0.153 32.732 32.600 -0.034 0.000 1.422 90 M HN 0.267 nan 8.290 nan 0.000 0.471 91 I N 1.683 122.249 120.570 -0.008 0.000 2.404 91 I HA 0.416 4.590 4.170 0.007 0.000 0.293 91 I C -1.817 174.406 176.117 0.177 0.000 0.992 91 I CA -0.861 60.487 61.300 0.080 0.000 1.149 91 I CB 1.012 39.042 38.000 0.050 0.000 1.315 91 I HN 0.772 nan 8.210 nan 0.000 0.446 92 Y N 6.520 126.898 120.300 0.130 0.000 2.335 92 Y HA 0.661 5.215 4.550 0.006 0.000 0.339 92 Y C 0.278 176.253 175.900 0.124 0.000 0.987 92 Y CA -0.451 57.735 58.100 0.143 0.000 1.140 92 Y CB 1.420 39.967 38.460 0.146 0.000 1.173 92 Y HN 0.579 nan 8.280 nan 0.000 0.486 93 G N 5.714 114.535 108.800 0.035 0.000 2.441 93 G HA2 0.660 4.624 3.960 0.007 0.000 0.334 93 G HA3 0.660 4.624 3.960 0.007 0.000 0.334 93 G C -1.777 172.926 174.900 -0.327 0.000 1.161 93 G CA -0.708 44.160 45.100 -0.387 0.000 0.935 93 G HN 0.738 nan 8.290 nan 0.000 0.488 94 I N -0.642 119.520 120.570 -0.681 0.000 3.004 94 I HA 0.260 4.434 4.170 0.007 0.000 0.305 94 I C -1.253 174.747 176.117 -0.194 0.000 1.312 94 I CA -1.004 60.203 61.300 -0.155 0.000 0.992 94 I CB 2.617 40.649 38.000 0.054 0.000 1.282 94 I HN 0.357 nan 8.210 nan 0.000 0.449 95 D N 6.413 126.896 120.400 0.138 0.000 2.470 95 D HA 0.255 4.899 4.640 0.007 0.000 0.226 95 D C -0.243 176.030 176.300 -0.046 0.000 1.196 95 D CA 0.100 54.105 54.000 0.008 0.000 0.979 95 D CB 1.087 41.762 40.800 -0.209 0.000 1.059 95 D HN 0.477 nan 8.370 nan 0.000 0.515 96 A N 2.270 125.033 122.820 -0.094 0.000 2.880 96 A HA 0.285 4.609 4.320 0.007 0.000 0.328 96 A C 1.149 178.702 177.584 -0.051 0.000 1.440 96 A CA -0.615 51.387 52.037 -0.058 0.000 1.068 96 A CB -0.115 18.831 19.000 -0.089 0.000 1.163 96 A HN 0.407 nan 8.150 nan 0.000 0.510 97 V N -0.668 119.238 119.914 -0.013 0.000 3.645 97 V HA 0.266 4.390 4.120 0.007 0.000 0.275 97 V C 0.498 176.684 176.094 0.154 0.000 1.356 97 V CA 1.156 63.438 62.300 -0.029 0.000 1.051 97 V CB -1.575 30.116 31.823 -0.221 0.000 0.828 97 V HN 0.939 nan 8.190 nan 0.000 0.441 98 H N -1.134 117.935 119.070 -0.003 0.000 2.600 98 H HA 0.698 5.258 4.556 0.007 0.000 0.224 98 H C 0.268 175.695 175.328 0.165 0.000 1.413 98 H CA -0.213 55.850 56.048 0.024 0.000 1.401 98 H CB 0.431 30.097 29.762 -0.160 0.000 1.772 98 H HN 0.681 nan 8.280 nan 0.000 0.528 99 G N 1.465 110.395 108.800 0.217 0.000 2.710 99 G HA2 -0.268 3.696 3.960 0.007 0.000 0.668 99 G HA3 -0.268 3.696 3.960 0.007 0.000 0.668 99 G C -0.529 174.377 174.900 0.010 0.000 1.320 99 G CA -0.497 44.714 45.100 0.185 0.000 0.860 99 G HN 0.632 nan 8.290 nan 0.000 0.538 100 Q N 0.714 120.490 119.800 -0.041 0.000 3.184 100 Q HA 0.271 4.614 4.340 0.007 0.000 0.288 100 Q C 1.611 177.557 176.000 -0.089 0.000 1.412 100 Q CA 0.874 56.621 55.803 -0.094 0.000 0.991 100 Q CB -0.965 27.683 28.738 -0.149 0.000 1.688 100 Q HN 0.691 nan 8.270 nan 0.000 0.554 101 N N -0.078 118.615 118.700 -0.011 0.000 2.494 101 N HA -0.102 4.642 4.740 0.007 0.000 0.182 101 N C 0.533 176.111 175.510 0.113 0.000 1.076 101 N CA 0.905 53.968 53.050 0.022 0.000 0.908 101 N CB 0.006 38.587 38.487 0.157 0.000 0.967 101 N HN 0.369 nan 8.380 nan 0.000 0.449 102 N N -0.607 118.170 118.700 0.128 0.000 2.396 102 N HA 0.026 4.770 4.740 0.007 0.000 0.180 102 N C -0.698 174.928 175.510 0.192 0.000 1.028 102 N CA 0.348 53.524 53.050 0.210 0.000 0.893 102 N CB 0.337 38.988 38.487 0.274 0.000 0.967 102 N HN 0.034 nan 8.380 nan 0.000 0.440 103 V N 1.329 121.263 119.914 0.033 0.000 2.407 103 V HA 0.080 4.204 4.120 0.007 0.000 0.278 103 V C -0.375 175.785 176.094 0.110 0.000 1.037 103 V CA -0.893 61.441 62.300 0.056 0.000 0.900 103 V CB 0.560 32.207 31.823 -0.293 0.000 0.983 103 V HN 0.161 nan 8.190 nan 0.000 0.459 104 Y N 4.158 124.531 120.300 0.122 0.000 2.805 104 Y HA 0.326 4.880 4.550 0.006 0.000 0.331 104 Y C 1.368 177.287 175.900 0.031 0.000 1.241 104 Y CA 1.692 59.838 58.100 0.076 0.000 1.546 104 Y CB 0.360 38.882 38.460 0.103 0.000 1.248 104 Y HN 0.977 nan 8.280 nan 0.000 0.559 105 G N 3.015 111.448 108.800 -0.611 0.000 2.199 105 G HA2 -0.246 3.718 3.960 0.007 0.000 0.254 105 G HA3 -0.246 3.718 3.960 0.007 0.000 0.254 105 G C 0.262 175.035 174.900 -0.213 0.000 0.982 105 G CA -0.017 44.845 45.100 -0.396 0.000 0.632 105 G HN 1.287 nan 8.290 nan 0.000 0.529 106 A N 0.530 123.243 122.820 -0.177 0.000 2.407 106 A HA 0.615 4.938 4.320 0.007 0.000 0.248 106 A C 0.922 178.383 177.584 -0.205 0.000 1.082 106 A CA 1.070 53.015 52.037 -0.153 0.000 0.785 106 A CB 0.182 19.096 19.000 -0.144 0.000 1.020 106 A HN 0.914 nan 8.150 nan 0.000 0.489 107 T N 3.327 117.756 114.554 -0.208 0.000 2.867 107 T HA 0.222 4.576 4.350 0.007 0.000 0.297 107 T C 0.239 174.637 174.700 -0.503 0.000 0.989 107 T CA 0.478 62.359 62.100 -0.364 0.000 1.159 107 T CB -0.271 68.351 68.868 -0.411 0.000 0.928 107 T HN 0.327 nan 8.240 nan 0.000 0.538 108 I N 4.964 125.216 120.570 -0.530 0.000 2.306 108 I HA 0.309 4.483 4.170 0.007 0.000 0.288 108 I C 0.140 175.919 176.117 -0.565 0.000 1.036 108 I CA -0.813 60.159 61.300 -0.547 0.000 1.221 108 I CB -0.208 37.533 38.000 -0.431 0.000 1.385 108 I HN 0.493 nan 8.210 nan 0.000 0.472 109 F N 7.031 126.828 119.950 -0.255 0.000 2.403 109 F HA 0.325 4.856 4.527 0.006 0.000 0.320 109 F C -1.613 174.166 175.800 -0.036 0.000 1.176 109 F CA -1.916 56.015 58.000 -0.115 0.000 1.206 109 F CB -0.271 38.682 39.000 -0.078 0.000 1.235 109 F HN 0.287 nan 8.300 nan 0.000 0.565 110 P HA -0.046 nan 4.420 nan 0.000 0.264 110 P C -0.264 177.163 177.300 0.211 0.000 1.183 110 P CA 0.427 63.648 63.100 0.201 0.000 0.763 110 P CB 0.231 32.048 31.700 0.197 0.000 0.807 111 H N 2.253 121.447 119.070 0.207 0.000 2.767 111 H HA 0.044 4.603 4.556 0.007 0.000 0.380 111 H C 1.402 176.751 175.328 0.034 0.000 1.409 111 H CA 0.448 56.550 56.048 0.090 0.000 1.463 111 H CB 0.455 30.238 29.762 0.035 0.000 1.514 111 H HN 0.389 nan 8.280 nan 0.000 0.619 112 N N 0.218 118.971 118.700 0.087 0.000 2.270 112 N HA -0.129 4.615 4.740 0.007 0.000 0.181 112 N C 1.973 177.410 175.510 -0.120 0.000 1.016 112 N CA 0.477 53.418 53.050 -0.182 0.000 0.870 112 N CB -0.243 37.825 38.487 -0.699 0.000 0.979 112 N HN 0.314 nan 8.380 nan 0.000 0.431 113 V N 0.629 120.472 119.914 -0.118 0.000 2.343 113 V HA -0.086 4.038 4.120 0.007 0.000 0.247 113 V C 1.989 177.812 176.094 -0.452 0.000 1.051 113 V CA 2.251 64.395 62.300 -0.261 0.000 1.036 113 V CB -0.910 30.741 31.823 -0.287 0.000 0.654 113 V HN 0.321 nan 8.190 nan 0.000 0.451 114 G N -0.322 108.295 108.800 -0.306 0.000 2.422 114 G HA2 -0.193 3.771 3.960 0.007 0.000 0.218 114 G HA3 -0.193 3.771 3.960 0.007 0.000 0.218 114 G C 1.526 176.403 174.900 -0.039 0.000 1.146 114 G CA 1.094 46.055 45.100 -0.232 0.000 0.769 114 G HN 0.539 nan 8.290 nan 0.000 0.547 115 L N 0.866 122.120 121.223 0.052 0.000 2.083 115 L HA -0.009 4.335 4.340 0.007 0.000 0.209 115 L C 3.157 180.084 176.870 0.094 0.000 1.083 115 L CA 0.898 55.804 54.840 0.111 0.000 0.752 115 L CB -0.783 41.400 42.059 0.207 0.000 0.899 115 L HN 0.314 nan 8.230 nan 0.000 0.433 116 G N 0.038 108.901 108.800 0.105 0.000 2.469 116 G HA2 -0.299 3.665 3.960 0.007 0.000 0.219 116 G HA3 -0.299 3.665 3.960 0.007 0.000 0.219 116 G C 1.753 176.650 174.900 -0.004 0.000 1.150 116 G CA 0.884 46.013 45.100 0.049 0.000 0.763 116 G HN 0.485 nan 8.290 nan 0.000 0.561 117 A N 0.649 123.444 122.820 -0.041 0.000 2.019 117 A HA -0.000 4.324 4.320 0.007 0.000 0.219 117 A C 2.607 180.239 177.584 0.080 0.000 1.164 117 A CA 2.501 54.564 52.037 0.043 0.000 0.644 117 A CB -0.891 18.190 19.000 0.134 0.000 0.805 117 A HN 0.567 nan 8.150 nan 0.000 0.449 118 T N -4.014 110.577 114.554 0.062 0.000 2.951 118 T HA -0.101 4.253 4.350 0.007 0.000 0.268 118 T C 1.033 175.756 174.700 0.038 0.000 1.073 118 T CA 0.808 62.941 62.100 0.056 0.000 1.134 118 T CB -0.253 68.640 68.868 0.040 0.000 0.884 118 T HN 0.460 nan 8.240 nan 0.000 0.479 119 R N 1.257 121.770 120.500 0.022 0.000 3.758 119 R HA -0.134 4.210 4.340 0.007 0.000 0.299 119 R C -0.814 175.487 176.300 0.002 0.000 1.182 119 R CA 1.057 57.162 56.100 0.007 0.000 0.809 119 R CB -2.659 27.653 30.300 0.020 0.000 1.249 119 R HN 0.645 nan 8.270 nan 0.000 0.497 120 D N -0.269 120.129 120.400 -0.002 0.000 2.446 120 D HA 0.325 4.969 4.640 0.007 0.000 0.251 120 D C -1.662 174.631 176.300 -0.013 0.000 1.137 120 D CA -2.387 51.618 54.000 0.010 0.000 0.890 120 D CB 1.336 42.151 40.800 0.024 0.000 1.071 120 D HN -0.118 nan 8.370 nan 0.000 0.528 121 P HA -0.152 nan 4.420 nan 0.000 0.218 121 P C 1.107 178.417 177.300 0.018 0.000 1.148 121 P CA 0.707 63.783 63.100 -0.040 0.000 0.822 121 P CB 0.079 31.756 31.700 -0.039 0.000 0.784 122 Y N 0.573 120.833 120.300 -0.066 0.000 2.200 122 Y HA -0.118 4.435 4.550 0.006 0.000 0.290 122 Y C 2.129 177.993 175.900 -0.060 0.000 1.137 122 Y CA 0.856 58.922 58.100 -0.058 0.000 1.163 122 Y CB -1.133 37.302 38.460 -0.041 0.000 0.988 122 Y HN -0.214 nan 8.280 nan 0.000 0.518 123 L N -0.546 120.571 121.223 -0.177 0.000 2.012 123 L HA -0.179 4.165 4.340 0.007 0.000 0.210 123 L C 2.240 178.968 176.870 -0.237 0.000 1.073 123 L CA 1.959 56.655 54.840 -0.240 0.000 0.748 123 L CB -1.027 40.973 42.059 -0.099 0.000 0.891 123 L HN 0.080 nan 8.230 nan 0.000 0.431 124 V N -0.093 119.721 119.914 -0.166 0.000 2.332 124 V HA -0.341 3.783 4.120 0.007 0.000 0.248 124 V C 2.645 178.621 176.094 -0.196 0.000 1.055 124 V CA 2.173 64.373 62.300 -0.167 0.000 1.038 124 V CB -0.841 30.903 31.823 -0.132 0.000 0.651 124 V HN 0.544 nan 8.190 nan 0.000 0.450 125 K N 0.111 120.407 120.400 -0.174 0.000 2.059 125 K HA -0.273 4.051 4.320 0.007 0.000 0.212 125 K C 2.371 178.833 176.600 -0.231 0.000 1.050 125 K CA 2.011 58.200 56.287 -0.163 0.000 0.927 125 K CB -0.162 32.291 32.500 -0.077 0.000 0.714 125 K HN 0.354 nan 8.250 nan 0.000 0.447 126 R N 0.142 120.435 120.500 -0.345 0.000 2.096 126 R HA -0.057 4.287 4.340 0.007 0.000 0.235 126 R C 2.326 178.433 176.300 -0.321 0.000 1.127 126 R CA 1.652 57.553 56.100 -0.332 0.000 0.968 126 R CB -0.279 29.783 30.300 -0.397 0.000 0.861 126 R HN 0.263 nan 8.270 nan 0.000 0.440 127 I N -0.139 120.194 120.570 -0.395 0.000 2.286 127 I HA -0.180 3.994 4.170 0.007 0.000 0.248 127 I C 2.449 178.241 176.117 -0.542 0.000 1.115 127 I CA 1.393 62.297 61.300 -0.660 0.000 1.392 127 I CB -0.509 37.019 38.000 -0.787 0.000 1.065 127 I HN 0.328 nan 8.210 nan 0.000 0.418 128 G N 0.400 108.998 108.800 -0.336 0.000 2.418 128 G HA2 -0.217 3.747 3.960 0.007 0.000 0.217 128 G HA3 -0.217 3.747 3.960 0.007 0.000 0.217 128 G C 1.491 176.267 174.900 -0.206 0.000 1.158 128 G CA 0.573 45.533 45.100 -0.233 0.000 0.771 128 G HN 0.403 nan 8.290 nan 0.000 0.545 129 E N 0.621 120.705 120.200 -0.192 0.000 2.058 129 E HA -0.092 4.262 4.350 0.007 0.000 0.194 129 E C 2.923 179.406 176.600 -0.196 0.000 0.997 129 E CA 0.975 57.285 56.400 -0.150 0.000 0.801 129 E CB -0.238 29.393 29.700 -0.114 0.000 0.746 129 E HN 0.404 nan 8.360 nan 0.000 0.450 130 A N 0.852 123.492 122.820 -0.299 0.000 1.933 130 A HA -0.173 4.151 4.320 0.007 0.000 0.218 130 A C 2.369 179.723 177.584 -0.383 0.000 1.175 130 A CA 1.834 53.550 52.037 -0.534 0.000 0.628 130 A CB -0.848 17.798 19.000 -0.590 0.000 0.814 130 A HN 0.184 nan 8.150 nan 0.000 0.444 131 T N 0.432 114.827 114.554 -0.265 0.000 2.684 131 T HA -0.077 4.277 4.350 0.007 0.000 0.267 131 T C 2.259 176.889 174.700 -0.117 0.000 1.036 131 T CA 1.739 63.751 62.100 -0.148 0.000 1.148 131 T CB -0.545 68.221 68.868 -0.171 0.000 0.863 131 T HN 0.622 nan 8.240 nan 0.000 0.436 132 A N 1.316 124.066 122.820 -0.116 0.000 1.892 132 A HA -0.091 4.233 4.320 0.007 0.000 0.218 132 A C 2.325 179.873 177.584 -0.059 0.000 1.188 132 A CA 1.502 53.492 52.037 -0.078 0.000 0.631 132 A CB -0.983 17.977 19.000 -0.067 0.000 0.822 132 A HN 0.499 nan 8.150 nan 0.000 0.447 133 L N -0.769 120.418 121.223 -0.060 0.000 2.046 133 L HA -0.195 4.149 4.340 0.007 0.000 0.208 133 L C 2.591 179.466 176.870 0.008 0.000 1.077 133 L CA 1.634 56.472 54.840 -0.003 0.000 0.747 133 L CB -0.606 41.489 42.059 0.059 0.000 0.896 133 L HN 0.475 nan 8.230 nan 0.000 0.432 134 E N -0.454 119.737 120.200 -0.014 0.000 2.208 134 E HA -0.123 4.231 4.350 0.007 0.000 0.193 134 E C 2.281 178.837 176.600 -0.074 0.000 0.988 134 E CA 0.886 57.279 56.400 -0.013 0.000 0.828 134 E CB 0.070 29.771 29.700 0.001 0.000 0.763 134 E HN 0.331 nan 8.360 nan 0.000 0.478 135 V N 1.426 121.291 119.914 -0.082 0.000 2.379 135 V HA -0.162 3.962 4.120 0.007 0.000 0.245 135 V C 2.227 178.271 176.094 -0.083 0.000 1.044 135 V CA 1.250 63.483 62.300 -0.111 0.000 1.036 135 V CB -0.338 31.426 31.823 -0.097 0.000 0.664 135 V HN 0.137 nan 8.190 nan 0.000 0.453 136 R N 0.451 120.925 120.500 -0.044 0.000 2.152 136 R HA 0.002 4.346 4.340 0.007 0.000 0.232 136 R C 2.317 178.610 176.300 -0.012 0.000 1.117 136 R CA 1.276 57.364 56.100 -0.019 0.000 0.981 136 R CB -1.079 29.219 30.300 -0.004 0.000 0.870 136 R HN 0.533 nan 8.270 nan 0.000 0.451 137 A N 0.672 123.482 122.820 -0.016 0.000 1.978 137 A HA -0.146 4.178 4.320 0.007 0.000 0.220 137 A C 1.945 179.522 177.584 -0.012 0.000 1.170 137 A CA 2.062 54.096 52.037 -0.006 0.000 0.636 137 A CB -0.566 18.432 19.000 -0.005 0.000 0.810 137 A HN 0.455 nan 8.150 nan 0.000 0.448 138 T N -4.913 109.602 114.554 -0.065 0.000 3.144 138 T HA 0.430 4.784 4.350 0.007 0.000 0.249 138 T C 1.304 176.017 174.700 0.022 0.000 1.089 138 T CA 0.986 63.058 62.100 -0.048 0.000 0.989 138 T CB 0.217 68.876 68.868 -0.348 0.000 0.992 138 T HN 1.658 nan 8.240 nan 0.000 0.540 139 G N 1.258 110.062 108.800 0.007 0.000 2.175 139 G HA2 -0.197 3.767 3.960 0.007 0.000 0.244 139 G HA3 -0.197 3.767 3.960 0.007 0.000 0.244 139 G C -0.014 174.887 174.900 0.003 0.000 0.982 139 G CA -0.050 45.064 45.100 0.022 0.000 0.641 139 G HN 0.635 nan 8.290 nan 0.000 0.527 140 I N 0.282 120.835 120.570 -0.028 0.000 2.499 140 I HA 0.422 4.596 4.170 0.007 0.000 0.296 140 I C 1.192 177.336 176.117 0.046 0.000 0.992 140 I CA -0.479 60.826 61.300 0.010 0.000 1.297 140 I CB 1.647 39.631 38.000 -0.027 0.000 1.410 140 I HN 0.047 nan 8.210 nan 0.000 0.507 141 Q N 3.651 123.518 119.800 0.113 0.000 2.217 141 Q HA 0.188 4.532 4.340 0.007 0.000 0.217 141 Q C -1.109 174.977 176.000 0.144 0.000 0.844 141 Q CA 0.147 56.006 55.803 0.093 0.000 0.957 141 Q CB 0.737 29.523 28.738 0.081 0.000 1.127 141 Q HN 0.531 nan 8.270 nan 0.000 0.503 142 Y N 0.338 120.608 120.300 -0.050 0.000 2.401 142 Y HA 0.704 5.258 4.550 0.007 0.000 0.330 142 Y C -1.791 173.958 175.900 -0.251 0.000 1.071 142 Y CA -2.295 55.736 58.100 -0.114 0.000 1.049 142 Y CB 0.899 39.317 38.460 -0.071 0.000 1.239 142 Y HN -0.094 nan 8.280 nan 0.000 0.437 143 A N 5.242 127.945 122.820 -0.195 0.000 2.330 143 A HA 0.664 4.988 4.320 0.007 0.000 0.327 143 A C -1.555 175.751 177.584 -0.464 0.000 1.155 143 A CA -0.575 51.230 52.037 -0.387 0.000 0.803 143 A CB 0.195 19.095 19.000 -0.165 0.000 1.208 143 A HN 0.549 nan 8.150 nan 0.000 0.477 144 F N 1.824 121.590 119.950 -0.307 0.000 2.659 144 F HA 0.505 5.037 4.527 0.007 0.000 0.360 144 F C 0.950 176.618 175.800 -0.220 0.000 1.218 144 F CA 0.223 58.051 58.000 -0.286 0.000 1.317 144 F CB -0.494 38.349 39.000 -0.263 0.000 1.697 144 F HN 0.672 nan 8.300 nan 0.000 0.637 145 A N 2.007 124.808 122.820 -0.031 0.000 2.589 145 A HA 0.774 5.098 4.320 0.007 0.000 0.296 145 A C -3.062 174.501 177.584 -0.036 0.000 1.062 145 A CA -1.455 50.542 52.037 -0.066 0.000 0.686 145 A CB 2.125 21.075 19.000 -0.082 0.000 1.282 145 A HN 0.023 nan 8.150 nan 0.000 0.404 146 P HA 0.373 nan 4.420 nan 0.000 0.287 146 P C -0.274 176.974 177.300 -0.088 0.000 1.270 146 P CA -0.519 62.559 63.100 -0.037 0.000 0.844 146 P CB 1.449 33.185 31.700 0.061 0.000 1.068 147 C N 4.778 123.996 119.300 -0.137 0.000 2.624 147 C HA 0.245 4.709 4.460 0.007 0.000 0.397 147 C C 1.633 176.592 174.990 -0.051 0.000 1.331 147 C CA -0.311 58.619 59.018 -0.146 0.000 1.716 147 C CB -2.512 25.129 27.740 -0.166 0.000 2.452 147 C HN 0.493 nan 8.230 nan 0.000 0.586 148 I N 4.240 124.795 120.570 -0.026 0.000 3.816 148 I HA 0.410 4.584 4.170 0.007 0.000 0.334 148 I C 0.999 177.164 176.117 0.080 0.000 1.551 148 I CA -0.402 60.907 61.300 0.014 0.000 1.153 148 I CB -0.664 37.236 38.000 -0.166 0.000 1.197 148 I HN 0.616 nan 8.210 nan 0.000 0.439 149 A N 1.237 124.159 122.820 0.170 0.000 2.507 149 A HA 0.390 4.714 4.320 0.007 0.000 0.235 149 A C 0.261 177.984 177.584 0.231 0.000 1.070 149 A CA 0.167 52.367 52.037 0.272 0.000 0.768 149 A CB 0.386 19.652 19.000 0.444 0.000 1.011 149 A HN 0.302 nan 8.150 nan 0.000 0.502 150 V N 2.641 122.705 119.914 0.249 0.000 2.257 150 V HA 0.148 4.272 4.120 0.007 0.000 0.269 150 V C 0.300 176.508 176.094 0.191 0.000 1.040 150 V CA -0.685 61.716 62.300 0.168 0.000 0.813 150 V CB 0.364 32.212 31.823 0.043 0.000 1.065 150 V HN 1.009 nan 8.190 nan 0.000 0.457 151 c N 6.602 125.337 118.600 0.225 0.000 2.651 151 c HA 0.223 4.797 4.570 0.007 0.000 0.410 151 c C 1.736 175.917 174.090 0.151 0.000 1.372 151 c CA -0.095 56.389 56.329 0.259 0.000 1.707 151 c CB -0.490 42.233 42.510 0.354 0.000 2.501 151 c HN 0.872 nan 8.230 nan 0.000 0.598 152 R N 2.568 123.127 120.500 0.099 0.000 2.397 152 R HA 0.225 4.569 4.340 0.007 0.000 0.241 152 R C -0.354 175.992 176.300 0.076 0.000 0.914 152 R CA 0.112 56.261 56.100 0.082 0.000 1.071 152 R CB 0.206 30.552 30.300 0.077 0.000 1.116 152 R HN 0.774 nan 8.270 nan 0.000 0.524 153 D N 0.217 120.666 120.400 0.081 0.000 2.891 153 D HA 0.139 4.783 4.640 0.007 0.000 0.224 153 D C -2.245 174.130 176.300 0.125 0.000 1.321 153 D CA -1.647 52.395 54.000 0.070 0.000 0.929 153 D CB 2.671 43.483 40.800 0.019 0.000 1.551 153 D HN -0.190 nan 8.370 nan 0.000 0.574 154 P HA 0.063 nan 4.420 nan 0.000 0.241 154 P C 0.951 178.316 177.300 0.109 0.000 1.191 154 P CA 0.143 63.325 63.100 0.137 0.000 0.771 154 P CB 0.492 32.282 31.700 0.150 0.000 0.929 155 R N -1.850 118.687 120.500 0.062 0.000 2.235 155 R HA -0.048 4.296 4.340 0.007 0.000 0.213 155 R C 0.863 177.236 176.300 0.122 0.000 1.059 155 R CA 0.121 56.241 56.100 0.034 0.000 0.997 155 R CB -0.335 29.955 30.300 -0.017 0.000 0.884 155 R HN 0.228 nan 8.270 nan 0.000 0.462 156 W N 0.952 122.228 121.300 -0.039 0.000 2.193 156 W HA 0.064 4.728 4.660 0.006 0.000 0.338 156 W C 1.196 177.695 176.519 -0.033 0.000 1.310 156 W CA -0.545 56.779 57.345 -0.035 0.000 1.243 156 W CB 0.478 29.929 29.460 -0.016 0.000 1.165 156 W HN 0.043 nan 8.180 nan 0.000 0.566 157 G N 4.223 112.967 108.800 -0.093 0.000 2.744 157 G HA2 -0.133 3.831 3.960 0.007 0.000 0.211 157 G HA3 -0.133 3.831 3.960 0.007 0.000 0.211 157 G C 1.063 175.711 174.900 -0.421 0.000 1.143 157 G CA 0.074 45.046 45.100 -0.213 0.000 0.788 157 G HN 0.534 nan 8.290 nan 0.000 0.534 158 R N -0.767 119.006 120.500 -1.211 0.000 2.509 158 R HA 0.201 4.545 4.340 0.007 0.000 0.300 158 R C 1.534 177.149 176.300 -1.142 0.000 0.985 158 R CA -0.283 54.965 56.100 -1.419 0.000 1.092 158 R CB -0.413 28.870 30.300 -1.695 0.000 1.237 158 R HN 0.253 nan 8.270 nan 0.000 0.546 159 c N 1.434 119.741 118.600 -0.488 0.000 2.411 159 c HA -0.172 4.402 4.570 0.007 0.000 0.279 159 c C 2.442 176.464 174.090 -0.113 0.000 1.288 159 c CA 0.952 57.260 56.329 -0.036 0.000 1.764 159 c CB -0.739 41.876 42.510 0.174 0.000 1.974 159 c HN 0.691 nan 8.230 nan 0.000 0.498 160 Y N 0.756 120.982 120.300 -0.124 0.000 2.571 160 Y HA 0.123 4.677 4.550 0.006 0.000 0.294 160 Y C 1.849 177.595 175.900 -0.258 0.000 1.141 160 Y CA 1.157 59.157 58.100 -0.167 0.000 1.308 160 Y CB -1.256 37.087 38.460 -0.195 0.000 1.002 160 Y HN 0.373 nan 8.280 nan 0.000 0.551 161 E N 0.618 120.418 120.200 -0.667 0.000 2.502 161 E HA -0.001 4.353 4.350 0.007 0.000 0.194 161 E C 0.301 176.689 176.600 -0.354 0.000 1.062 161 E CA 0.398 56.520 56.400 -0.462 0.000 0.867 161 E CB 0.141 29.538 29.700 -0.506 0.000 0.888 161 E HN 0.295 nan 8.360 nan 0.000 0.510 162 S N -0.549 115.007 115.700 -0.240 0.000 2.489 162 S HA 0.150 4.624 4.470 0.007 0.000 0.291 162 S C 0.500 175.007 174.600 -0.156 0.000 1.151 162 S CA -0.657 57.465 58.200 -0.129 0.000 1.082 162 S CB 0.512 63.761 63.200 0.082 0.000 1.019 162 S HN 0.068 nan 8.310 nan 0.000 0.492 163 Y N 3.098 123.383 120.300 -0.025 0.000 2.333 163 Y HA 0.159 4.712 4.550 0.006 0.000 0.290 163 Y C 1.563 177.423 175.900 -0.068 0.000 1.144 163 Y CA 0.880 58.947 58.100 -0.055 0.000 1.228 163 Y CB 0.084 38.514 38.460 -0.050 0.000 0.985 163 Y HN 0.602 nan 8.280 nan 0.000 0.542 164 S N -1.514 114.249 115.700 0.105 0.000 2.614 164 S HA 0.105 4.579 4.470 0.007 0.000 0.280 164 S C 0.202 174.842 174.600 0.067 0.000 1.111 164 S CA -0.438 57.799 58.200 0.061 0.000 0.847 164 S CB 0.540 63.776 63.200 0.060 0.000 1.079 164 S HN 0.406 nan 8.310 nan 0.000 0.452 165 E N 1.193 121.430 120.200 0.061 0.000 2.418 165 E HA -0.023 4.331 4.350 0.007 0.000 0.197 165 E C 0.007 176.623 176.600 0.027 0.000 1.026 165 E CA 0.371 56.807 56.400 0.060 0.000 0.862 165 E CB 0.031 29.779 29.700 0.080 0.000 0.799 165 E HN 0.429 nan 8.360 nan 0.000 0.518 166 D N 1.121 121.535 120.400 0.024 0.000 2.329 166 D HA 0.045 4.689 4.640 0.007 0.000 0.232 166 D C 0.851 177.147 176.300 -0.007 0.000 1.088 166 D CA -0.574 53.427 54.000 0.001 0.000 0.835 166 D CB 1.218 42.024 40.800 0.009 0.000 1.078 166 D HN 0.132 nan 8.370 nan 0.000 0.495 167 R N 3.582 124.063 120.500 -0.032 0.000 2.193 167 R HA -0.054 4.290 4.340 0.007 0.000 0.229 167 R C 1.651 177.934 176.300 -0.028 0.000 1.110 167 R CA 1.039 57.120 56.100 -0.032 0.000 0.988 167 R CB -0.389 29.876 30.300 -0.059 0.000 0.871 167 R HN 0.297 nan 8.270 nan 0.000 0.458 168 R N 0.603 121.086 120.500 -0.027 0.000 2.120 168 R HA 0.009 4.353 4.340 0.007 0.000 0.234 168 R C 2.084 178.362 176.300 -0.037 0.000 1.123 168 R CA 1.712 57.794 56.100 -0.029 0.000 0.975 168 R CB -0.535 29.752 30.300 -0.023 0.000 0.866 168 R HN 0.283 nan 8.270 nan 0.000 0.446 169 I N 0.136 120.689 120.570 -0.028 0.000 2.286 169 I HA -0.203 3.971 4.170 0.007 0.000 0.245 169 I C 2.161 178.224 176.117 -0.090 0.000 1.104 169 I CA 0.818 62.091 61.300 -0.045 0.000 1.397 169 I CB -0.171 37.822 38.000 -0.011 0.000 1.072 169 I HN -0.065 nan 8.210 nan 0.000 0.417 170 V N 0.697 120.588 119.914 -0.038 0.000 2.282 170 V HA -0.352 3.771 4.120 0.007 0.000 0.249 170 V C 2.444 178.461 176.094 -0.128 0.000 1.057 170 V CA 1.964 64.238 62.300 -0.043 0.000 1.032 170 V CB -0.924 30.934 31.823 0.059 0.000 0.645 170 V HN 0.486 nan 8.190 nan 0.000 0.447 171 Q N 0.549 120.296 119.800 -0.089 0.000 2.077 171 Q HA -0.235 4.109 4.340 0.007 0.000 0.206 171 Q C 2.497 178.424 176.000 -0.122 0.000 0.989 171 Q CA 2.333 58.081 55.803 -0.091 0.000 0.853 171 Q CB -0.412 28.293 28.738 -0.055 0.000 0.907 171 Q HN 0.822 nan 8.270 nan 0.000 0.418 172 S N -0.078 115.546 115.700 -0.126 0.000 2.428 172 S HA -0.052 4.422 4.470 0.007 0.000 0.230 172 S C 1.782 176.259 174.600 -0.205 0.000 1.014 172 S CA 0.697 58.819 58.200 -0.129 0.000 0.957 172 S CB -0.012 63.129 63.200 -0.098 0.000 0.784 172 S HN 0.198 nan 8.310 nan 0.000 0.499 173 M N 2.929 122.321 119.600 -0.348 0.000 2.659 173 M HA 0.067 4.551 4.480 0.007 0.000 0.243 173 M C 1.910 177.952 176.300 -0.432 0.000 1.111 173 M CA 1.115 56.074 55.300 -0.567 0.000 1.070 173 M CB -1.852 29.934 32.600 -1.357 0.000 1.525 173 M HN 0.688 nan 8.290 nan 0.000 0.517 174 T N -2.500 111.900 114.554 -0.256 0.000 3.098 174 T HA -0.073 4.280 4.350 0.007 0.000 0.266 174 T C 1.396 176.023 174.700 -0.122 0.000 1.145 174 T CA 0.682 62.688 62.100 -0.156 0.000 1.092 174 T CB -0.199 68.598 68.868 -0.118 0.000 0.908 174 T HN 0.190 nan 8.240 nan 0.000 0.526 175 E N 0.884 121.008 120.200 -0.127 0.000 2.333 175 E HA -0.086 4.268 4.350 0.007 0.000 0.200 175 E C 1.842 178.385 176.600 -0.094 0.000 1.010 175 E CA 0.392 56.735 56.400 -0.094 0.000 0.841 175 E CB -0.559 29.095 29.700 -0.078 0.000 0.757 175 E HN 0.513 nan 8.360 nan 0.000 0.508 176 L N 0.646 121.805 121.223 -0.107 0.000 2.051 176 L HA -0.226 4.118 4.340 0.007 0.000 0.214 176 L C 2.164 178.994 176.870 -0.066 0.000 1.076 176 L CA 1.481 56.271 54.840 -0.083 0.000 0.758 176 L CB -0.306 41.733 42.059 -0.035 0.000 0.890 176 L HN 0.107 nan 8.230 nan 0.000 0.433 177 I N -0.185 120.353 120.570 -0.053 0.000 2.163 177 I HA -0.216 3.958 4.170 0.007 0.000 0.243 177 I C -0.491 175.611 176.117 -0.025 0.000 1.085 177 I CA 1.383 62.662 61.300 -0.034 0.000 1.347 177 I CB -1.619 36.364 38.000 -0.029 0.000 1.044 177 I HN 0.316 nan 8.210 nan 0.000 0.408 178 P HA -0.027 nan 4.420 nan 0.000 0.227 178 P C 1.601 178.890 177.300 -0.019 0.000 1.161 178 P CA 1.383 64.471 63.100 -0.021 0.000 0.788 178 P CB -0.160 31.511 31.700 -0.048 0.000 0.822 179 G N 0.966 109.738 108.800 -0.046 0.000 2.433 179 G HA2 -0.210 3.754 3.960 0.007 0.000 0.216 179 G HA3 -0.210 3.754 3.960 0.007 0.000 0.216 179 G C 1.604 176.468 174.900 -0.060 0.000 1.186 179 G CA 0.532 45.593 45.100 -0.067 0.000 0.779 179 G HN 0.209 nan 8.290 nan 0.000 0.543 180 L N -0.451 120.737 121.223 -0.058 0.000 2.046 180 L HA -0.070 4.274 4.340 0.007 0.000 0.208 180 L C 3.023 179.877 176.870 -0.027 0.000 1.077 180 L CA 1.289 56.098 54.840 -0.051 0.000 0.747 180 L CB -0.179 41.854 42.059 -0.043 0.000 0.896 180 L HN 0.281 nan 8.230 nan 0.000 0.432 181 Q N -1.073 118.726 119.800 -0.002 0.000 2.378 181 Q HA 0.252 4.596 4.340 0.007 0.000 0.229 181 Q C 0.501 176.530 176.000 0.049 0.000 0.882 181 Q CA 0.429 56.238 55.803 0.010 0.000 0.936 181 Q CB 1.242 30.009 28.738 0.049 0.000 1.092 181 Q HN 0.460 nan 8.270 nan 0.000 0.535 182 G N 1.712 110.561 108.800 0.082 0.000 2.675 182 G HA2 -0.138 3.825 3.960 0.007 0.000 0.686 182 G HA3 -0.138 3.825 3.960 0.007 0.000 0.686 182 G C -1.302 173.713 174.900 0.192 0.000 1.215 182 G CA -0.880 44.313 45.100 0.155 0.000 0.777 182 G HN 0.057 nan 8.290 nan 0.000 0.638 183 D N 0.249 120.695 120.400 0.077 0.000 2.424 183 D HA 0.333 4.977 4.640 0.007 0.000 0.244 183 D C 1.469 177.573 176.300 -0.326 0.000 1.134 183 D CA 0.720 54.669 54.000 -0.084 0.000 0.881 183 D CB 1.580 42.337 40.800 -0.071 0.000 1.191 183 D HN 0.972 nan 8.370 nan 0.000 0.445 184 V N 0.926 120.482 119.914 -0.596 0.000 3.003 184 V HA 0.397 4.521 4.120 0.007 0.000 0.305 184 V C -2.254 173.458 176.094 -0.637 0.000 1.078 184 V CA -1.372 60.252 62.300 -1.127 0.000 1.083 184 V CB 0.206 31.129 31.823 -1.499 0.000 1.039 184 V HN 0.348 nan 8.190 nan 0.000 0.481 185 P HA 0.347 nan 4.420 nan 0.000 0.276 185 P C 0.460 177.722 177.300 -0.065 0.000 1.244 185 P CA -0.584 62.398 63.100 -0.196 0.000 0.801 185 P CB 0.665 32.310 31.700 -0.091 0.000 1.006 186 K N 1.353 121.733 120.400 -0.033 0.000 2.127 186 K HA -0.248 4.076 4.320 0.007 0.000 0.208 186 K C 1.350 177.971 176.600 0.034 0.000 1.047 186 K CA 2.029 58.317 56.287 0.002 0.000 0.927 186 K CB -0.445 32.052 32.500 -0.004 0.000 0.716 186 K HN 0.627 nan 8.250 nan 0.000 0.450 187 D N -0.152 120.271 120.400 0.038 0.000 2.397 187 D HA -0.226 4.418 4.640 0.007 0.000 0.219 187 D C 0.202 176.526 176.300 0.039 0.000 0.975 187 D CA 0.652 54.674 54.000 0.036 0.000 0.940 187 D CB -0.349 40.472 40.800 0.036 0.000 0.884 187 D HN 0.128 nan 8.370 nan 0.000 0.505 188 F N 0.901 120.808 119.950 -0.073 0.000 2.394 188 F HA 0.421 4.951 4.527 0.006 0.000 0.340 188 F C -0.182 175.588 175.800 -0.050 0.000 1.105 188 F CA -0.683 57.267 58.000 -0.083 0.000 1.124 188 F CB 1.441 40.354 39.000 -0.146 0.000 1.145 188 F HN -0.318 nan 8.300 nan 0.000 0.505 189 T N 4.781 118.683 114.554 -1.085 0.000 2.767 189 T HA 0.184 4.538 4.350 0.007 0.000 0.284 189 T C -0.196 174.020 174.700 -0.807 0.000 0.973 189 T CA -0.466 61.213 62.100 -0.701 0.000 0.996 189 T CB 1.072 69.686 68.868 -0.425 0.000 0.927 189 T HN 0.713 nan 8.240 nan 0.000 0.456 190 S N 2.384 117.932 115.700 -0.253 0.000 2.558 190 S HA 0.342 4.816 4.470 0.007 0.000 0.293 190 S C 1.647 176.244 174.600 -0.006 0.000 1.292 190 S CA 1.058 59.268 58.200 0.017 0.000 1.063 190 S CB -0.445 62.790 63.200 0.057 0.000 0.831 190 S HN 1.260 nan 8.310 nan 0.000 0.499 191 G N 4.056 112.946 108.800 0.150 0.000 2.253 191 G HA2 -0.212 3.752 3.960 0.007 0.000 0.251 191 G HA3 -0.212 3.752 3.960 0.007 0.000 0.251 191 G C 0.242 175.204 174.900 0.103 0.000 0.998 191 G CA 0.304 45.512 45.100 0.180 0.000 0.621 191 G HN 0.647 nan 8.290 nan 0.000 0.524 192 M N 2.438 122.035 119.600 -0.006 0.000 2.228 192 M HA 0.289 4.773 4.480 0.007 0.000 0.351 192 M C -1.843 174.634 176.300 0.294 0.000 1.233 192 M CA -2.425 52.893 55.300 0.030 0.000 1.129 192 M CB 0.039 32.541 32.600 -0.165 0.000 1.604 192 M HN 0.117 nan 8.290 nan 0.000 0.457 193 P HA 0.254 nan 4.420 nan 0.000 0.275 193 P C -1.246 176.257 177.300 0.338 0.000 1.227 193 P CA -0.043 63.183 63.100 0.210 0.000 0.781 193 P CB 0.577 32.311 31.700 0.057 0.000 0.906 194 F N 3.165 123.187 119.950 0.119 0.000 2.588 194 F HA 0.500 5.030 4.527 0.005 0.000 0.314 194 F C -1.798 174.016 175.800 0.023 0.000 1.134 194 F CA -0.673 57.376 58.000 0.082 0.000 0.961 194 F CB 1.686 40.702 39.000 0.026 0.000 1.239 194 F HN 0.071 nan 8.300 nan 0.000 0.448 195 V N 5.515 124.931 119.914 -0.831 0.000 2.841 195 V HA 0.605 4.729 4.120 0.007 0.000 0.310 195 V C 0.283 175.824 176.094 -0.921 0.000 1.090 195 V CA -0.101 61.818 62.300 -0.635 0.000 0.930 195 V CB 1.525 33.185 31.823 -0.272 0.000 1.014 195 V HN 0.972 nan 8.190 nan 0.000 0.425 196 A N 2.427 124.896 122.820 -0.584 0.000 2.030 196 A HA 0.735 5.059 4.320 0.007 0.000 0.215 196 A C 1.036 178.515 177.584 -0.176 0.000 1.164 196 A CA 1.202 53.016 52.037 -0.373 0.000 0.697 196 A CB 0.018 19.020 19.000 0.004 0.000 0.827 196 A HN 1.640 nan 8.150 nan 0.000 0.457 197 G N -0.594 108.124 108.800 -0.136 0.000 2.360 197 G HA2 0.241 4.205 3.960 0.007 0.000 0.276 197 G HA3 0.241 4.205 3.960 0.007 0.000 0.276 197 G C 0.224 175.100 174.900 -0.039 0.000 1.256 197 G CA 0.053 45.115 45.100 -0.064 0.000 0.890 197 G HN 0.288 nan 8.290 nan 0.000 0.486 198 K N -0.353 120.040 120.400 -0.012 0.000 2.486 198 K HA 0.123 4.447 4.320 0.007 0.000 0.194 198 K C 0.958 177.558 176.600 0.001 0.000 1.033 198 K CA 1.282 57.569 56.287 -0.001 0.000 1.004 198 K CB -0.081 32.427 32.500 0.014 0.000 0.798 198 K HN 0.315 nan 8.250 nan 0.000 0.495 199 N N 0.359 119.058 118.700 -0.001 0.000 2.336 199 N HA 0.034 4.778 4.740 0.007 0.000 0.189 199 N C -0.553 174.950 175.510 -0.012 0.000 1.113 199 N CA 0.020 53.070 53.050 0.001 0.000 0.858 199 N CB 0.395 38.888 38.487 0.010 0.000 0.970 199 N HN 0.030 nan 8.380 nan 0.000 0.471 200 K N 0.749 121.135 120.400 -0.023 0.000 2.350 200 K HA 0.522 4.846 4.320 0.007 0.000 0.241 200 K C -0.485 176.096 176.600 -0.032 0.000 0.994 200 K CA -0.839 55.427 56.287 -0.034 0.000 0.839 200 K CB 2.186 34.656 32.500 -0.049 0.000 1.244 200 K HN -0.157 nan 8.250 nan 0.000 0.443 201 V N -2.310 117.588 119.914 -0.027 0.000 2.864 201 V HA 0.813 4.937 4.120 0.007 0.000 0.314 201 V C -0.099 175.999 176.094 0.007 0.000 1.073 201 V CA -1.288 61.010 62.300 -0.003 0.000 0.956 201 V CB 1.583 33.407 31.823 0.001 0.000 1.023 201 V HN 0.798 nan 8.190 nan 0.000 0.435 202 A N 2.163 125.005 122.820 0.036 0.000 2.462 202 A HA 0.807 5.131 4.320 0.007 0.000 0.243 202 A C 0.555 178.231 177.584 0.154 0.000 1.076 202 A CA 0.395 52.453 52.037 0.036 0.000 0.773 202 A CB 0.081 19.020 19.000 -0.101 0.000 1.010 202 A HN 2.186 nan 8.150 nan 0.000 0.493 203 A N 0.438 123.323 122.820 0.107 0.000 2.352 203 A HA 0.708 5.032 4.320 0.007 0.000 0.299 203 A C -0.298 177.393 177.584 0.179 0.000 1.160 203 A CA -0.099 52.008 52.037 0.116 0.000 0.933 203 A CB 0.879 19.906 19.000 0.044 0.000 1.387 203 A HN 1.893 nan 8.150 nan 0.000 0.487 204 C N 0.162 119.533 119.300 0.118 0.000 2.789 204 C HA 0.646 5.110 4.460 0.007 0.000 0.367 204 C C 0.186 175.193 174.990 0.029 0.000 1.062 204 C CA -0.117 58.977 59.018 0.126 0.000 1.297 204 C CB -0.587 27.292 27.740 0.231 0.000 1.794 204 C HN 1.321 nan 8.230 nan 0.000 0.474 205 A N 6.136 128.957 122.820 0.002 0.000 2.454 205 A HA 0.630 4.954 4.320 0.007 0.000 0.260 205 A C -0.026 177.588 177.584 0.050 0.000 1.106 205 A CA 0.232 52.250 52.037 -0.031 0.000 0.780 205 A CB 0.167 19.116 19.000 -0.085 0.000 1.044 205 A HN 0.967 nan 8.150 nan 0.000 0.498 206 K N 2.167 122.546 120.400 -0.035 0.000 2.533 206 K HA 0.652 4.976 4.320 0.007 0.000 0.272 206 K C -1.625 174.951 176.600 -0.041 0.000 0.985 206 K CA -0.978 55.258 56.287 -0.086 0.000 0.876 206 K CB 1.098 33.311 32.500 -0.479 0.000 1.452 206 K HN 0.646 nan 8.250 nan 0.000 0.439 207 H N 0.498 119.715 119.070 0.245 0.000 2.481 207 H HA 0.325 4.885 4.556 0.007 0.000 0.333 207 H C -1.493 173.968 175.328 0.223 0.000 1.066 207 H CA -0.599 55.574 56.048 0.209 0.000 1.209 207 H CB 0.903 30.745 29.762 0.134 0.000 1.445 207 H HN 0.479 nan 8.280 nan 0.000 0.488 208 F N 4.235 124.230 119.950 0.074 0.000 2.445 208 F HA 0.413 4.944 4.527 0.007 0.000 0.359 208 F C -0.484 175.223 175.800 -0.156 0.000 1.101 208 F CA -0.235 57.633 58.000 -0.221 0.000 1.177 208 F CB 0.264 39.017 39.000 -0.411 0.000 1.110 208 F HN 0.369 nan 8.300 nan 0.000 0.522 209 V N 5.793 125.361 119.914 -0.578 0.000 3.087 209 V HA 0.698 4.822 4.120 0.007 0.000 0.306 209 V C 0.021 175.837 176.094 -0.463 0.000 1.187 209 V CA 0.010 61.891 62.300 -0.699 0.000 0.999 209 V CB 1.655 32.606 31.823 -1.454 0.000 1.049 209 V HN 1.180 nan 8.190 nan 0.000 0.431 210 G N 4.199 112.776 108.800 -0.371 0.000 2.149 210 G HA2 -0.199 3.765 3.960 0.007 0.000 0.235 210 G HA3 -0.199 3.765 3.960 0.007 0.000 0.235 210 G C 0.244 174.853 174.900 -0.485 0.000 1.018 210 G CA 0.684 45.382 45.100 -0.670 0.000 0.728 210 G HN 1.209 nan 8.290 nan 0.000 0.508 211 D N 0.096 120.369 120.400 -0.211 0.000 2.178 211 D HA 0.010 4.654 4.640 0.007 0.000 0.201 211 D C 2.031 177.980 176.300 -0.585 0.000 0.980 211 D CA 1.417 55.314 54.000 -0.170 0.000 0.842 211 D CB -0.924 39.990 40.800 0.189 0.000 0.948 211 D HN 0.782 nan 8.370 nan 0.000 0.472 212 G N -0.329 108.202 108.800 -0.449 0.000 3.233 212 G HA2 0.290 4.254 3.960 0.007 0.000 0.227 212 G HA3 0.290 4.254 3.960 0.007 0.000 0.227 212 G C 1.161 175.836 174.900 -0.375 0.000 1.175 212 G CA 0.138 44.861 45.100 -0.627 0.000 0.781 212 G HN 0.444 nan 8.290 nan 0.000 0.542 213 G N 0.318 108.852 108.800 -0.442 0.000 3.277 213 G HA2 0.273 4.237 3.960 0.007 0.000 0.243 213 G HA3 0.273 4.237 3.960 0.007 0.000 0.243 213 G C 0.876 175.623 174.900 -0.255 0.000 1.107 213 G CA 0.517 45.457 45.100 -0.267 0.000 0.771 213 G HN 0.465 nan 8.290 nan 0.000 0.544 214 T N -1.860 112.475 114.554 -0.365 0.000 2.813 214 T HA 0.396 4.750 4.350 0.007 0.000 0.297 214 T C 0.466 175.065 174.700 -0.169 0.000 1.036 214 T CA -0.545 61.401 62.100 -0.258 0.000 1.044 214 T CB 2.030 70.725 68.868 -0.289 0.000 0.993 214 T HN 0.272 nan 8.240 nan 0.000 0.535 215 V N 2.579 122.430 119.914 -0.106 0.000 2.479 215 V HA 0.197 4.321 4.120 0.007 0.000 0.281 215 V C -0.048 176.007 176.094 -0.065 0.000 1.031 215 V CA 0.323 62.582 62.300 -0.068 0.000 1.038 215 V CB -1.047 30.748 31.823 -0.047 0.000 0.981 215 V HN 1.042 nan 8.190 nan 0.000 0.478 216 D N 4.216 124.584 120.400 -0.054 0.000 2.945 216 D HA -0.181 4.463 4.640 0.007 0.000 0.225 216 D C 1.096 177.374 176.300 -0.038 0.000 1.158 216 D CA 1.560 55.534 54.000 -0.043 0.000 0.805 216 D CB -1.516 39.263 40.800 -0.036 0.000 1.098 216 D HN 1.657 nan 8.370 nan 0.000 0.426 217 G N 0.060 108.820 108.800 -0.066 0.000 2.416 217 G HA2 -0.338 3.626 3.960 0.007 0.000 0.301 217 G HA3 -0.338 3.626 3.960 0.007 0.000 0.301 217 G C 0.476 175.373 174.900 -0.005 0.000 0.985 217 G CA 0.560 45.615 45.100 -0.075 0.000 0.934 217 G HN 0.618 nan 8.290 nan 0.000 0.513 218 I N 0.337 120.884 120.570 -0.038 0.000 2.471 218 I HA 0.047 4.221 4.170 0.007 0.000 0.286 218 I C 1.167 177.316 176.117 0.052 0.000 1.079 218 I CA -0.289 61.026 61.300 0.024 0.000 1.398 218 I CB 0.683 38.681 38.000 -0.004 0.000 1.403 218 I HN 0.280 nan 8.210 nan 0.000 0.530 219 N N 6.358 125.176 118.700 0.196 0.000 2.454 219 N HA -0.040 4.704 4.740 0.007 0.000 0.260 219 N C 0.043 175.649 175.510 0.160 0.000 1.218 219 N CA 0.261 53.510 53.050 0.332 0.000 0.904 219 N CB 0.412 39.088 38.487 0.316 0.000 1.065 219 N HN 0.715 nan 8.380 nan 0.000 0.462 220 E N -0.954 119.347 120.200 0.168 0.000 4.047 220 E HA -0.272 4.082 4.350 0.007 0.000 0.340 220 E C -0.311 176.327 176.600 0.062 0.000 0.720 220 E CA 0.359 56.837 56.400 0.130 0.000 1.320 220 E CB -1.362 28.362 29.700 0.039 0.000 1.685 220 E HN 0.702 nan 8.360 nan 0.000 0.416 221 N N 0.729 119.436 118.700 0.011 0.000 2.694 221 N HA 0.130 4.874 4.740 0.007 0.000 0.303 221 N C -0.278 175.222 175.510 -0.017 0.000 1.364 221 N CA -0.322 52.724 53.050 -0.007 0.000 0.862 221 N CB 0.574 39.046 38.487 -0.024 0.000 1.107 221 N HN -0.040 nan 8.380 nan 0.000 0.512 222 N N -0.073 118.610 118.700 -0.028 0.000 2.419 222 N HA 0.218 4.962 4.740 0.007 0.000 0.277 222 N C -1.597 173.891 175.510 -0.037 0.000 1.006 222 N CA 0.002 53.041 53.050 -0.019 0.000 0.923 222 N CB 0.889 39.367 38.487 -0.016 0.000 1.140 222 N HN 0.229 nan 8.380 nan 0.000 0.488 223 T N 4.621 119.167 114.554 -0.014 0.000 2.747 223 T HA 0.388 4.742 4.350 0.007 0.000 0.301 223 T C 0.528 175.284 174.700 0.093 0.000 0.952 223 T CA -0.216 61.875 62.100 -0.015 0.000 0.983 223 T CB -0.275 68.536 68.868 -0.095 0.000 0.930 223 T HN 0.341 nan 8.240 nan 0.000 0.494 224 I N 5.298 125.895 120.570 0.045 0.000 2.307 224 I HA 0.565 4.739 4.170 0.007 0.000 0.287 224 I C -0.147 176.021 176.117 0.086 0.000 1.054 224 I CA -0.283 61.044 61.300 0.045 0.000 1.218 224 I CB 0.439 38.437 38.000 -0.004 0.000 1.398 224 I HN 0.530 nan 8.210 nan 0.000 0.475 225 I N 5.843 126.514 120.570 0.168 0.000 2.882 225 I HA 0.291 4.465 4.170 0.007 0.000 0.298 225 I C -1.389 174.906 176.117 0.296 0.000 1.462 225 I CA -0.657 60.763 61.300 0.200 0.000 1.000 225 I CB 2.073 40.193 38.000 0.200 0.000 1.340 225 I HN 0.572 nan 8.210 nan 0.000 0.462 226 N N 5.137 123.960 118.700 0.204 0.000 2.463 226 N HA 0.315 5.059 4.740 0.007 0.000 0.270 226 N C 0.554 176.239 175.510 0.291 0.000 1.205 226 N CA -0.488 52.684 53.050 0.204 0.000 0.974 226 N CB 0.804 39.348 38.487 0.095 0.000 1.197 226 N HN 0.680 nan 8.380 nan 0.000 0.504 227 R N -0.072 120.621 120.500 0.322 0.000 2.103 227 R HA -0.156 4.188 4.340 0.007 0.000 0.242 227 R C 1.127 177.467 176.300 0.067 0.000 1.142 227 R CA 1.630 57.899 56.100 0.282 0.000 0.960 227 R CB -0.011 30.428 30.300 0.231 0.000 0.858 227 R HN 0.676 nan 8.270 nan 0.000 0.439 228 E N -0.965 119.271 120.200 0.061 0.000 2.077 228 E HA -0.146 4.208 4.350 0.007 0.000 0.193 228 E C 1.946 178.548 176.600 0.003 0.000 0.989 228 E CA 1.250 57.661 56.400 0.018 0.000 0.800 228 E CB -0.283 29.431 29.700 0.024 0.000 0.746 228 E HN 0.566 nan 8.360 nan 0.000 0.452 229 G N 2.367 111.185 108.800 0.029 0.000 2.459 229 G HA2 -0.263 3.701 3.960 0.007 0.000 0.217 229 G HA3 -0.263 3.701 3.960 0.007 0.000 0.217 229 G C 1.619 176.518 174.900 -0.003 0.000 1.183 229 G CA 0.452 45.565 45.100 0.022 0.000 0.776 229 G HN 0.135 nan 8.290 nan 0.000 0.552 230 L N -0.151 121.055 121.223 -0.028 0.000 1.997 230 L HA -0.129 4.215 4.340 0.007 0.000 0.216 230 L C 2.923 179.693 176.870 -0.168 0.000 1.074 230 L CA 1.707 56.440 54.840 -0.178 0.000 0.763 230 L CB -0.255 41.458 42.059 -0.577 0.000 0.890 230 L HN 0.236 nan 8.230 nan 0.000 0.434 231 M N -1.021 118.482 119.600 -0.161 0.000 2.419 231 M HA -0.104 4.379 4.480 0.007 0.000 0.264 231 M C 1.746 178.006 176.300 -0.067 0.000 1.082 231 M CA 1.389 56.604 55.300 -0.142 0.000 1.119 231 M CB -1.332 31.189 32.600 -0.131 0.000 1.398 231 M HN 0.465 nan 8.290 nan 0.000 0.453 232 N N 0.139 118.802 118.700 -0.062 0.000 2.322 232 N HA 0.089 4.833 4.740 0.007 0.000 0.181 232 N C 1.296 176.755 175.510 -0.085 0.000 1.088 232 N CA 0.333 53.353 53.050 -0.050 0.000 0.885 232 N CB 0.391 38.858 38.487 -0.034 0.000 1.013 232 N HN 0.248 nan 8.380 nan 0.000 0.472 233 I N -0.903 119.582 120.570 -0.143 0.000 2.962 233 I HA 0.075 4.249 4.170 0.007 0.000 0.246 233 I C 1.297 177.228 176.117 -0.310 0.000 1.091 233 I CA 0.309 61.438 61.300 -0.284 0.000 1.469 233 I CB -0.120 37.598 38.000 -0.469 0.000 1.324 233 I HN 0.133 nan 8.210 nan 0.000 0.461 234 H N -0.596 118.434 119.070 -0.067 0.000 2.535 234 H HA 0.048 4.608 4.556 0.006 0.000 0.273 234 H C 1.699 177.036 175.328 0.016 0.000 0.983 234 H CA 0.785 56.801 56.048 -0.052 0.000 1.238 234 H CB 0.457 30.131 29.762 -0.147 0.000 1.412 234 H HN 0.176 nan 8.280 nan 0.000 0.562 235 M N 0.238 119.888 119.600 0.084 0.000 2.545 235 M HA 0.158 4.642 4.480 0.007 0.000 0.264 235 M C -1.305 175.135 176.300 0.233 0.000 1.155 235 M CA 0.161 55.549 55.300 0.148 0.000 1.162 235 M CB 0.054 32.645 32.600 -0.015 0.000 1.330 235 M HN -0.066 nan 8.290 nan 0.000 0.479 236 P HA -0.028 nan 4.420 nan 0.000 0.218 236 P C 0.992 178.343 177.300 0.085 0.000 1.148 236 P CA 1.862 65.020 63.100 0.097 0.000 0.822 236 P CB -0.222 31.500 31.700 0.036 0.000 0.784 237 A N -1.887 120.959 122.820 0.044 0.000 2.015 237 A HA -0.182 4.142 4.320 0.007 0.000 0.219 237 A C 1.806 179.310 177.584 -0.133 0.000 1.163 237 A CA 1.076 53.075 52.037 -0.064 0.000 0.646 237 A CB -1.706 17.221 19.000 -0.121 0.000 0.806 237 A HN 0.131 nan 8.150 nan 0.000 0.448 238 Y N 0.206 120.550 120.300 0.073 0.000 2.207 238 Y HA -0.235 4.319 4.550 0.006 0.000 0.287 238 Y C 2.424 178.353 175.900 0.048 0.000 1.156 238 Y CA 1.975 60.120 58.100 0.075 0.000 1.182 238 Y CB -0.173 38.396 38.460 0.182 0.000 0.979 238 Y HN 0.355 nan 8.280 nan 0.000 0.521 239 K N 0.617 121.133 120.400 0.193 0.000 2.103 239 K HA -0.106 4.218 4.320 0.007 0.000 0.204 239 K C 1.370 178.014 176.600 0.073 0.000 1.052 239 K CA 1.695 58.056 56.287 0.124 0.000 0.945 239 K CB -0.286 32.289 32.500 0.125 0.000 0.722 239 K HN 0.231 nan 8.250 nan 0.000 0.443 240 N N 0.478 119.201 118.700 0.039 0.000 2.120 240 N HA -0.111 4.633 4.740 0.007 0.000 0.188 240 N C 1.612 177.123 175.510 0.003 0.000 1.024 240 N CA 1.475 54.529 53.050 0.008 0.000 0.852 240 N CB -0.331 38.141 38.487 -0.026 0.000 1.003 240 N HN 0.332 nan 8.380 nan 0.000 0.424 241 A N 1.197 124.007 122.820 -0.017 0.000 1.883 241 A HA -0.179 4.145 4.320 0.007 0.000 0.217 241 A C 2.045 179.663 177.584 0.058 0.000 1.186 241 A CA 1.457 53.486 52.037 -0.013 0.000 0.624 241 A CB -0.476 18.478 19.000 -0.077 0.000 0.822 241 A HN 0.123 nan 8.150 nan 0.000 0.444 242 M N 0.167 119.821 119.600 0.090 0.000 2.106 242 M HA -0.176 4.308 4.480 0.007 0.000 0.259 242 M C 1.334 177.757 176.300 0.205 0.000 1.068 242 M CA 1.632 57.029 55.300 0.162 0.000 1.100 242 M CB -1.713 30.969 32.600 0.137 0.000 1.351 242 M HN 0.348 nan 8.290 nan 0.000 0.404 243 D N 0.435 120.922 120.400 0.145 0.000 2.219 243 D HA -0.090 4.553 4.640 0.007 0.000 0.205 243 D C 1.532 177.903 176.300 0.118 0.000 0.970 243 D CA 1.051 55.151 54.000 0.167 0.000 0.851 243 D CB -0.170 40.682 40.800 0.086 0.000 0.943 243 D HN 0.396 nan 8.370 nan 0.000 0.488 244 K N -0.644 119.776 120.400 0.033 0.000 2.387 244 K HA 0.269 4.593 4.320 0.007 0.000 0.198 244 K C 0.810 177.336 176.600 -0.122 0.000 1.022 244 K CA 0.260 56.484 56.287 -0.105 0.000 1.128 244 K CB 0.947 33.405 32.500 -0.069 0.000 0.853 244 K HN 0.077 nan 8.250 nan 0.000 0.523 245 G N 1.391 110.244 108.800 0.088 0.000 2.142 245 G HA2 -0.230 3.734 3.960 0.007 0.000 0.225 245 G HA3 -0.230 3.734 3.960 0.007 0.000 0.225 245 G C 0.007 175.041 174.900 0.223 0.000 1.015 245 G CA -0.011 45.234 45.100 0.242 0.000 0.716 245 G HN 0.215 nan 8.290 nan 0.000 0.508 246 V N 0.550 120.572 119.914 0.180 0.000 2.617 246 V HA 0.361 4.485 4.120 0.007 0.000 0.304 246 V C 1.575 177.806 176.094 0.228 0.000 1.040 246 V CA 1.558 63.942 62.300 0.141 0.000 1.149 246 V CB 1.207 33.069 31.823 0.065 0.000 0.914 246 V HN 0.476 nan 8.190 nan 0.000 0.487 247 S N 3.418 119.194 115.700 0.127 0.000 2.425 247 S HA 0.061 4.535 4.470 0.007 0.000 0.225 247 S C 0.616 175.234 174.600 0.029 0.000 1.024 247 S CA 0.858 59.093 58.200 0.058 0.000 0.951 247 S CB 0.048 63.204 63.200 -0.073 0.000 0.796 247 S HN 1.066 nan 8.310 nan 0.000 0.498 248 T N -1.262 113.307 114.554 0.025 0.000 2.883 248 T HA 0.714 5.068 4.350 0.007 0.000 0.301 248 T C -1.083 173.612 174.700 -0.007 0.000 1.158 248 T CA -0.730 61.321 62.100 -0.081 0.000 1.007 248 T CB 1.814 70.376 68.868 -0.510 0.000 1.186 248 T HN -0.171 nan 8.240 nan 0.000 0.499 249 V N 2.772 122.654 119.914 -0.053 0.000 2.735 249 V HA 0.623 4.747 4.120 0.007 0.000 0.310 249 V C -0.308 175.782 176.094 -0.006 0.000 1.061 249 V CA -0.978 61.243 62.300 -0.130 0.000 0.913 249 V CB 1.930 33.479 31.823 -0.456 0.000 1.005 249 V HN 1.078 nan 8.190 nan 0.000 0.428 250 M N 5.181 124.804 119.600 0.039 0.000 2.268 250 M HA 0.569 5.053 4.480 0.007 0.000 0.344 250 M C -1.225 175.117 176.300 0.070 0.000 1.106 250 M CA -0.606 54.725 55.300 0.051 0.000 1.010 250 M CB 1.085 33.699 32.600 0.024 0.000 1.649 250 M HN 0.418 nan 8.290 nan 0.000 0.443 251 I N 2.764 123.324 120.570 -0.017 0.000 2.472 251 I HA 0.209 4.383 4.170 0.007 0.000 0.290 251 I C 0.582 176.688 176.117 -0.018 0.000 1.016 251 I CA 0.001 61.246 61.300 -0.091 0.000 1.348 251 I CB 1.216 38.926 38.000 -0.484 0.000 1.417 251 I HN 0.695 nan 8.210 nan 0.000 0.521 252 S N 3.672 119.424 115.700 0.087 0.000 2.592 252 S HA 0.157 4.631 4.470 0.007 0.000 0.271 252 S C 0.922 175.674 174.600 0.253 0.000 1.326 252 S CA -0.115 58.170 58.200 0.142 0.000 1.024 252 S CB 0.362 63.631 63.200 0.116 0.000 0.921 252 S HN 0.361 nan 8.310 nan 0.000 0.527 253 Y N 2.266 122.708 120.300 0.235 0.000 2.421 253 Y HA -0.009 4.545 4.550 0.007 0.000 0.292 253 Y C 1.882 177.858 175.900 0.126 0.000 1.136 253 Y CA 0.749 58.950 58.100 0.168 0.000 1.255 253 Y CB -0.856 37.654 38.460 0.083 0.000 0.991 253 Y HN 0.630 nan 8.280 nan 0.000 0.552 254 S N -0.572 115.273 115.700 0.241 0.000 2.600 254 S HA 0.356 4.830 4.470 0.007 0.000 0.265 254 S C 0.314 174.981 174.600 0.111 0.000 1.325 254 S CA -0.810 57.463 58.200 0.122 0.000 1.002 254 S CB 1.367 64.581 63.200 0.023 0.000 0.921 254 S HN 0.082 nan 8.310 nan 0.000 0.554 255 S N 0.235 115.982 115.700 0.078 0.000 2.681 255 S HA 0.538 5.012 4.470 0.007 0.000 0.299 255 S C -1.283 173.402 174.600 0.141 0.000 1.113 255 S CA -0.616 57.644 58.200 0.101 0.000 1.013 255 S CB 0.635 63.879 63.200 0.074 0.000 1.076 255 S HN 0.822 nan 8.310 nan 0.000 0.534 256 W N 2.768 124.030 121.300 -0.064 0.000 2.362 256 W HA 0.441 5.105 4.660 0.007 0.000 0.316 256 W C -0.612 175.870 176.519 -0.062 0.000 1.024 256 W CA -1.115 56.175 57.345 -0.091 0.000 1.270 256 W CB -0.533 28.856 29.460 -0.118 0.000 1.273 256 W HN 0.730 nan 8.180 nan 0.000 0.424 257 N N 4.344 122.919 118.700 -0.209 0.000 2.714 257 N HA -0.187 4.557 4.740 0.007 0.000 0.253 257 N C 1.040 176.420 175.510 -0.215 0.000 1.024 257 N CA 2.146 54.997 53.050 -0.332 0.000 0.726 257 N CB -1.301 36.796 38.487 -0.650 0.000 0.908 257 N HN 1.268 nan 8.380 nan 0.000 0.542 258 G N -2.835 105.908 108.800 -0.094 0.000 2.212 258 G HA2 -0.346 3.618 3.960 0.007 0.000 0.266 258 G HA3 -0.346 3.618 3.960 0.007 0.000 0.266 258 G C 0.071 174.956 174.900 -0.026 0.000 0.978 258 G CA 0.459 45.527 45.100 -0.055 0.000 0.632 258 G HN 0.561 nan 8.290 nan 0.000 0.537 259 V N 2.410 122.313 119.914 -0.018 0.000 2.364 259 V HA 0.372 4.496 4.120 0.007 0.000 0.272 259 V C 0.641 176.796 176.094 0.102 0.000 1.036 259 V CA -1.383 60.942 62.300 0.041 0.000 0.880 259 V CB 1.591 33.432 31.823 0.031 0.000 0.991 259 V HN 0.226 nan 8.190 nan 0.000 0.460 260 K N 5.368 125.836 120.400 0.114 0.000 2.473 260 K HA 0.016 4.339 4.320 0.007 0.000 0.277 260 K C 1.137 177.841 176.600 0.174 0.000 1.052 260 K CA 0.121 56.501 56.287 0.154 0.000 1.114 260 K CB 0.344 32.943 32.500 0.165 0.000 0.869 260 K HN 0.507 nan 8.250 nan 0.000 0.481 261 M N 2.037 121.747 119.600 0.182 0.000 2.149 261 M HA -0.159 4.324 4.480 0.007 0.000 0.261 261 M C 1.612 177.998 176.300 0.142 0.000 1.064 261 M CA 1.709 57.094 55.300 0.142 0.000 1.102 261 M CB -0.706 31.951 32.600 0.094 0.000 1.369 261 M HN 0.549 nan 8.290 nan 0.000 0.408 262 H N -1.126 118.008 119.070 0.107 0.000 2.546 262 H HA 0.110 4.670 4.556 0.007 0.000 0.277 262 H C 1.046 176.414 175.328 0.066 0.000 1.004 262 H CA 1.048 57.150 56.048 0.090 0.000 1.231 262 H CB 0.312 30.127 29.762 0.088 0.000 1.382 262 H HN 0.342 nan 8.280 nan 0.000 0.580 263 A N 0.687 123.608 122.820 0.169 0.000 2.535 263 A HA 0.033 4.357 4.320 0.007 0.000 0.273 263 A C 0.534 178.177 177.584 0.099 0.000 1.267 263 A CA -0.367 51.730 52.037 0.101 0.000 0.940 263 A CB 0.073 19.128 19.000 0.092 0.000 1.101 263 A HN 0.096 nan 8.150 nan 0.000 0.521 264 N N 1.225 119.995 118.700 0.117 0.000 2.521 264 N HA 0.062 4.806 4.740 0.007 0.000 0.236 264 N C 0.794 176.378 175.510 0.123 0.000 1.067 264 N CA 0.034 53.161 53.050 0.128 0.000 0.939 264 N CB 0.839 39.423 38.487 0.162 0.000 1.201 264 N HN 0.603 nan 8.380 nan 0.000 0.511 265 Q N 2.452 122.311 119.800 0.099 0.000 2.124 265 Q HA -0.147 4.197 4.340 0.007 0.000 0.202 265 Q C 0.383 176.452 176.000 0.114 0.000 0.977 265 Q CA 1.347 57.204 55.803 0.090 0.000 0.850 265 Q CB 0.279 29.055 28.738 0.064 0.000 0.901 265 Q HN 0.526 nan 8.270 nan 0.000 0.429 266 D N 0.433 120.911 120.400 0.130 0.000 2.104 266 D HA -0.177 4.467 4.640 0.007 0.000 0.194 266 D C 1.958 178.379 176.300 0.201 0.000 0.994 266 D CA 1.127 55.219 54.000 0.153 0.000 0.830 266 D CB -0.050 40.846 40.800 0.161 0.000 0.959 266 D HN 0.335 nan 8.370 nan 0.000 0.452 267 L N 0.394 121.748 121.223 0.218 0.000 2.095 267 L HA -0.083 4.261 4.340 0.007 0.000 0.204 267 L C 2.526 179.624 176.870 0.379 0.000 1.080 267 L CA 0.475 55.484 54.840 0.282 0.000 0.759 267 L CB -0.052 42.101 42.059 0.157 0.000 0.914 267 L HN -0.072 nan 8.230 nan 0.000 0.439 268 V N -0.911 119.160 119.914 0.260 0.000 2.346 268 V HA -0.184 3.940 4.120 0.007 0.000 0.244 268 V C 2.378 178.513 176.094 0.068 0.000 1.037 268 V CA 2.088 64.471 62.300 0.137 0.000 1.029 268 V CB -0.242 31.638 31.823 0.095 0.000 0.663 268 V HN 0.423 nan 8.190 nan 0.000 0.454 269 T N -0.143 114.465 114.554 0.090 0.000 2.925 269 T HA 0.072 4.426 4.350 0.007 0.000 0.245 269 T C 1.900 176.647 174.700 0.078 0.000 1.025 269 T CA 1.106 63.245 62.100 0.066 0.000 1.149 269 T CB -0.475 68.428 68.868 0.057 0.000 0.866 269 T HN 0.530 nan 8.240 nan 0.000 0.437 270 G N -0.247 108.622 108.800 0.115 0.000 2.418 270 G HA2 -0.187 3.777 3.960 0.007 0.000 0.217 270 G HA3 -0.187 3.777 3.960 0.007 0.000 0.217 270 G C 1.359 176.354 174.900 0.158 0.000 1.158 270 G CA 0.663 45.839 45.100 0.125 0.000 0.771 270 G HN 0.455 nan 8.290 nan 0.000 0.545 271 Y N -0.135 120.213 120.300 0.080 0.000 2.222 271 Y HA 0.290 4.844 4.550 0.007 0.000 0.290 271 Y C 2.446 178.383 175.900 0.062 0.000 1.123 271 Y CA 0.622 58.772 58.100 0.083 0.000 1.120 271 Y CB -0.468 38.063 38.460 0.118 0.000 1.060 271 Y HN 0.078 nan 8.280 nan 0.000 0.508 272 L N 1.034 122.291 121.223 0.056 0.000 1.970 272 L HA -0.184 4.160 4.340 0.007 0.000 0.212 272 L C 2.020 178.844 176.870 -0.078 0.000 1.071 272 L CA 2.129 56.873 54.840 -0.160 0.000 0.751 272 L CB -0.780 40.984 42.059 -0.491 0.000 0.889 272 L HN 0.142 nan 8.230 nan 0.000 0.432 273 K N -0.883 119.513 120.400 -0.006 0.000 2.021 273 K HA -0.072 4.252 4.320 0.007 0.000 0.205 273 K C 1.677 178.272 176.600 -0.010 0.000 1.047 273 K CA 1.464 57.773 56.287 0.037 0.000 0.943 273 K CB -0.180 32.345 32.500 0.041 0.000 0.725 273 K HN 0.322 nan 8.250 nan 0.000 0.439 274 D N -0.376 120.013 120.400 -0.018 0.000 2.305 274 D HA -0.019 4.625 4.640 0.007 0.000 0.206 274 D C 1.475 177.738 176.300 -0.062 0.000 0.974 274 D CA 0.970 54.955 54.000 -0.025 0.000 0.871 274 D CB 0.318 41.119 40.800 0.003 0.000 0.947 274 D HN 0.129 nan 8.370 nan 0.000 0.516 275 T N 0.391 114.860 114.554 -0.142 0.000 2.988 275 T HA 0.143 4.496 4.350 0.007 0.000 0.240 275 T C 2.102 176.657 174.700 -0.242 0.000 1.014 275 T CA 0.022 61.997 62.100 -0.208 0.000 1.155 275 T CB 0.052 68.714 68.868 -0.344 0.000 0.872 275 T HN 0.022 nan 8.240 nan 0.000 0.440 276 L N 0.584 121.604 121.223 -0.338 0.000 2.456 276 L HA 0.131 4.475 4.340 0.007 0.000 0.224 276 L C 0.803 177.642 176.870 -0.051 0.000 1.148 276 L CA 0.661 55.395 54.840 -0.177 0.000 0.825 276 L CB -0.541 41.422 42.059 -0.160 0.000 0.937 276 L HN 0.299 nan 8.230 nan 0.000 0.450 277 K N -0.657 119.718 120.400 -0.042 0.000 3.129 277 K HA -0.245 4.079 4.320 0.007 0.000 0.273 277 K C 0.027 176.655 176.600 0.047 0.000 1.123 277 K CA 0.157 56.437 56.287 -0.011 0.000 0.800 277 K CB -1.667 30.813 32.500 -0.034 0.000 1.238 277 K HN 0.128 nan 8.250 nan 0.000 0.492 278 F N 1.227 121.128 119.950 -0.082 0.000 2.578 278 F HA 0.070 4.601 4.527 0.007 0.000 0.381 278 F C 1.047 176.824 175.800 -0.039 0.000 1.069 278 F CA 0.343 58.309 58.000 -0.058 0.000 1.231 278 F CB 0.688 39.636 39.000 -0.088 0.000 1.086 278 F HN -0.057 nan 8.300 nan 0.000 0.564 279 K N 3.868 123.919 120.400 -0.582 0.000 2.387 279 K HA 0.301 4.625 4.320 0.007 0.000 0.203 279 K C 0.927 177.123 176.600 -0.673 0.000 1.030 279 K CA 0.090 56.075 56.287 -0.503 0.000 1.099 279 K CB 0.537 32.899 32.500 -0.229 0.000 0.863 279 K HN 0.782 nan 8.250 nan 0.000 0.529 280 G N 0.220 108.179 108.800 -1.403 0.000 2.531 280 G HA2 0.336 4.300 3.960 0.007 0.000 0.253 280 G HA3 0.336 4.300 3.960 0.007 0.000 0.253 280 G C -0.492 174.097 174.900 -0.518 0.000 1.439 280 G CA -0.554 44.063 45.100 -0.805 0.000 1.056 280 G HN 0.185 nan 8.290 nan 0.000 0.555 281 F N -1.524 118.362 119.950 -0.105 0.000 2.507 281 F HA 0.743 5.273 4.527 0.006 0.000 0.327 281 F C -0.580 175.392 175.800 0.286 0.000 1.068 281 F CA -1.730 56.304 58.000 0.057 0.000 0.965 281 F CB 1.699 40.708 39.000 0.016 0.000 1.192 281 F HN 0.229 nan 8.300 nan 0.000 0.476 282 V N 4.768 124.965 119.914 0.472 0.000 2.394 282 V HA 0.407 4.531 4.120 0.007 0.000 0.282 282 V C -0.181 176.105 176.094 0.320 0.000 1.031 282 V CA -0.711 61.770 62.300 0.301 0.000 0.881 282 V CB 1.269 33.191 31.823 0.164 0.000 0.982 282 V HN 0.887 nan 8.190 nan 0.000 0.451 283 I N 4.340 125.075 120.570 0.276 0.000 2.493 283 I HA 0.573 4.747 4.170 0.007 0.000 0.298 283 I C 0.780 176.972 176.117 0.125 0.000 0.998 283 I CA -0.124 61.339 61.300 0.271 0.000 1.137 283 I CB 2.138 40.391 38.000 0.421 0.000 1.310 283 I HN 0.805 nan 8.210 nan 0.000 0.445 284 S N 5.016 120.783 115.700 0.112 0.000 2.617 284 S HA 0.225 4.699 4.470 0.007 0.000 0.259 284 S C -0.158 174.540 174.600 0.163 0.000 1.301 284 S CA -0.472 57.829 58.200 0.169 0.000 0.984 284 S CB 1.177 64.531 63.200 0.256 0.000 0.954 284 S HN 0.707 nan 8.310 nan 0.000 0.572 285 D N -0.640 119.934 120.400 0.289 0.000 2.466 285 D HA 0.155 4.799 4.640 0.007 0.000 0.262 285 D C -0.725 175.645 176.300 0.117 0.000 1.177 285 D CA -0.786 53.226 54.000 0.021 0.000 1.035 285 D CB 0.643 41.211 40.800 -0.386 0.000 1.105 285 D HN 0.694 nan 8.370 nan 0.000 0.551 286 W N 2.003 123.292 121.300 -0.019 0.000 2.565 286 W HA 0.086 4.750 4.660 0.006 0.000 0.325 286 W C -0.070 176.559 176.519 0.184 0.000 1.408 286 W CA 0.218 57.610 57.345 0.079 0.000 1.350 286 W CB -0.730 28.780 29.460 0.083 0.000 1.426 286 W HN 0.646 nan 8.180 nan 0.000 0.538 287 E N 2.462 122.732 120.200 0.116 0.000 2.403 287 E HA -0.254 4.099 4.350 0.007 0.000 0.241 287 E C 1.458 178.182 176.600 0.206 0.000 1.201 287 E CA 0.537 57.022 56.400 0.143 0.000 0.721 287 E CB -1.119 28.684 29.700 0.171 0.000 1.245 287 E HN 0.733 nan 8.360 nan 0.000 0.392 288 G N 0.919 109.777 108.800 0.097 0.000 2.422 288 G HA2 -0.222 3.742 3.960 0.007 0.000 0.218 288 G HA3 -0.222 3.742 3.960 0.007 0.000 0.218 288 G C 1.426 176.120 174.900 -0.344 0.000 1.146 288 G CA 0.924 45.822 45.100 -0.336 0.000 0.769 288 G HN 0.553 nan 8.290 nan 0.000 0.547 289 I N -0.875 119.644 120.570 -0.084 0.000 2.439 289 I HA -0.015 4.159 4.170 0.007 0.000 0.251 289 I C 1.725 177.870 176.117 0.046 0.000 1.139 289 I CA 1.707 63.004 61.300 -0.004 0.000 1.438 289 I CB -0.341 37.662 38.000 0.004 0.000 1.085 289 I HN -0.070 nan 8.210 nan 0.000 0.427 290 D N 1.816 122.303 120.400 0.144 0.000 2.123 290 D HA -0.171 4.473 4.640 0.007 0.000 0.196 290 D C 2.017 178.396 176.300 0.131 0.000 0.992 290 D CA 1.414 55.540 54.000 0.210 0.000 0.833 290 D CB -0.328 40.600 40.800 0.213 0.000 0.954 290 D HN 0.443 nan 8.370 nan 0.000 0.455 291 R N 0.093 120.644 120.500 0.085 0.000 2.319 291 R HA 0.196 4.540 4.340 0.007 0.000 0.204 291 R C 1.717 178.063 176.300 0.076 0.000 0.954 291 R CA -0.065 56.072 56.100 0.063 0.000 1.066 291 R CB -0.042 30.278 30.300 0.032 0.000 0.991 291 R HN 0.293 nan 8.270 nan 0.000 0.486 292 I N 0.753 121.379 120.570 0.095 0.000 2.493 292 I HA -0.157 4.017 4.170 0.007 0.000 0.254 292 I C 1.058 177.264 176.117 0.149 0.000 1.160 292 I CA 1.022 62.401 61.300 0.131 0.000 1.445 292 I CB -0.101 37.985 38.000 0.142 0.000 1.086 292 I HN 0.176 nan 8.210 nan 0.000 0.433 293 T N -2.444 112.193 114.554 0.139 0.000 2.940 293 T HA 0.471 4.825 4.350 0.007 0.000 0.288 293 T C -0.147 174.598 174.700 0.074 0.000 1.033 293 T CA -0.645 61.525 62.100 0.117 0.000 1.033 293 T CB 2.122 71.068 68.868 0.131 0.000 1.079 293 T HN 0.071 nan 8.240 nan 0.000 0.496 294 T N 0.924 115.507 114.554 0.048 0.000 2.848 294 T HA 0.643 4.997 4.350 0.007 0.000 0.285 294 T C -2.695 172.020 174.700 0.025 0.000 0.995 294 T CA -1.451 60.669 62.100 0.034 0.000 0.970 294 T CB 0.464 69.346 68.868 0.022 0.000 0.976 294 T HN 0.655 nan 8.240 nan 0.000 0.441 295 P HA 0.368 nan 4.420 nan 0.000 0.267 295 P C -0.208 177.122 177.300 0.050 0.000 1.201 295 P CA -0.434 62.685 63.100 0.032 0.000 0.775 295 P CB -0.052 31.664 31.700 0.027 0.000 0.854 296 A N 1.815 124.664 122.820 0.049 0.000 2.565 296 A HA 0.383 4.707 4.320 0.007 0.000 0.237 296 A C 1.503 179.139 177.584 0.087 0.000 1.053 296 A CA 0.564 52.642 52.037 0.068 0.000 0.755 296 A CB -1.303 17.727 19.000 0.050 0.000 0.980 296 A HN 1.155 nan 8.150 nan 0.000 0.506 297 G N 1.332 110.214 108.800 0.137 0.000 2.160 297 G HA2 -0.235 3.729 3.960 0.007 0.000 0.251 297 G HA3 -0.235 3.729 3.960 0.007 0.000 0.251 297 G C 0.926 175.909 174.900 0.137 0.000 1.008 297 G CA 1.226 46.427 45.100 0.168 0.000 0.724 297 G HN 2.164 nan 8.290 nan 0.000 0.514 298 S N -1.709 114.065 115.700 0.123 0.000 2.503 298 S HA 0.330 4.804 4.470 0.007 0.000 0.215 298 S C 0.568 175.237 174.600 0.115 0.000 1.003 298 S CA 0.923 59.178 58.200 0.093 0.000 0.910 298 S CB 0.629 63.867 63.200 0.062 0.000 0.790 298 S HN 0.415 nan 8.310 nan 0.000 0.514 299 D N 0.105 120.604 120.400 0.165 0.000 2.517 299 D HA 0.224 4.868 4.640 0.007 0.000 0.263 299 D C -0.163 176.290 176.300 0.255 0.000 1.233 299 D CA -0.690 53.425 54.000 0.192 0.000 0.849 299 D CB 0.053 40.946 40.800 0.155 0.000 1.261 299 D HN 0.069 nan 8.370 nan 0.000 0.516 300 Y N 1.888 122.259 120.300 0.119 0.000 2.224 300 Y HA -0.150 4.404 4.550 0.006 0.000 0.289 300 Y C 2.221 178.206 175.900 0.140 0.000 1.146 300 Y CA 2.079 60.248 58.100 0.115 0.000 1.182 300 Y CB 0.023 38.531 38.460 0.081 0.000 0.983 300 Y HN 0.362 nan 8.280 nan 0.000 0.524 301 S N -0.987 114.829 115.700 0.193 0.000 2.368 301 S HA -0.287 4.187 4.470 0.007 0.000 0.225 301 S C 2.052 176.773 174.600 0.201 0.000 1.030 301 S CA 1.490 59.804 58.200 0.190 0.000 0.999 301 S CB -0.937 62.386 63.200 0.205 0.000 0.844 301 S HN 0.639 nan 8.310 nan 0.000 0.459 302 Y N 2.202 122.544 120.300 0.070 0.000 2.165 302 Y HA -0.097 4.457 4.550 0.007 0.000 0.286 302 Y C 2.596 178.487 175.900 -0.015 0.000 1.155 302 Y CA 1.857 59.967 58.100 0.017 0.000 1.164 302 Y CB -0.875 37.599 38.460 0.023 0.000 0.978 302 Y HN 0.300 nan 8.280 nan 0.000 0.513 303 S N -0.565 115.049 115.700 -0.143 0.000 2.359 303 S HA -0.213 4.260 4.470 0.007 0.000 0.224 303 S C 2.139 176.570 174.600 -0.283 0.000 1.035 303 S CA 1.614 59.672 58.200 -0.236 0.000 1.018 303 S CB -0.805 62.277 63.200 -0.197 0.000 0.876 303 S HN 0.341 nan 8.310 nan 0.000 0.448 304 V N 2.032 121.776 119.914 -0.284 0.000 2.295 304 V HA -0.211 3.913 4.120 0.007 0.000 0.246 304 V C 2.395 178.431 176.094 -0.096 0.000 1.049 304 V CA 1.949 64.174 62.300 -0.124 0.000 1.024 304 V CB -0.594 31.183 31.823 -0.076 0.000 0.648 304 V HN 0.444 nan 8.190 nan 0.000 0.447 305 K N 0.343 120.630 120.400 -0.188 0.000 2.026 305 K HA -0.184 4.140 4.320 0.007 0.000 0.208 305 K C 2.191 178.624 176.600 -0.278 0.000 1.048 305 K CA 1.700 57.800 56.287 -0.311 0.000 0.929 305 K CB -0.357 31.864 32.500 -0.466 0.000 0.713 305 K HN 0.416 nan 8.250 nan 0.000 0.439 306 A N 0.718 123.276 122.820 -0.437 0.000 1.930 306 A HA -0.131 4.193 4.320 0.007 0.000 0.217 306 A C 2.105 179.594 177.584 -0.157 0.000 1.175 306 A CA 2.019 53.840 52.037 -0.359 0.000 0.627 306 A CB -0.591 18.016 19.000 -0.655 0.000 0.815 306 A HN 0.565 nan 8.150 nan 0.000 0.443 307 S N -0.254 115.374 115.700 -0.119 0.000 2.395 307 S HA -0.033 4.441 4.470 0.007 0.000 0.225 307 S C 1.732 176.341 174.600 0.016 0.000 1.027 307 S CA 1.067 59.264 58.200 -0.005 0.000 0.965 307 S CB -0.399 62.834 63.200 0.057 0.000 0.812 307 S HN 0.295 nan 8.310 nan 0.000 0.482 308 I N 2.190 122.765 120.570 0.009 0.000 2.315 308 I HA 0.028 4.202 4.170 0.007 0.000 0.248 308 I C 2.277 178.397 176.117 0.005 0.000 1.117 308 I CA 0.853 62.171 61.300 0.031 0.000 1.404 308 I CB -1.381 36.647 38.000 0.047 0.000 1.071 308 I HN 0.310 nan 8.210 nan 0.000 0.419 309 L N 0.566 121.772 121.223 -0.028 0.000 2.291 309 L HA -0.062 4.282 4.340 0.007 0.000 0.214 309 L C 2.602 179.473 176.870 0.001 0.000 1.120 309 L CA 0.752 55.579 54.840 -0.021 0.000 0.799 309 L CB -0.558 41.474 42.059 -0.045 0.000 0.925 309 L HN 0.143 nan 8.230 nan 0.000 0.446 310 A N -0.307 122.518 122.820 0.008 0.000 2.067 310 A HA 0.124 4.448 4.320 0.007 0.000 0.219 310 A C 1.876 179.485 177.584 0.042 0.000 1.158 310 A CA 1.356 53.413 52.037 0.034 0.000 0.661 310 A CB -0.355 18.672 19.000 0.045 0.000 0.801 310 A HN 0.514 nan 8.150 nan 0.000 0.452 311 G N -2.779 106.043 108.800 0.037 0.000 2.227 311 G HA2 -0.074 3.890 3.960 0.007 0.000 0.168 311 G HA3 -0.074 3.890 3.960 0.007 0.000 0.168 311 G C -0.137 174.795 174.900 0.052 0.000 1.006 311 G CA -0.127 44.999 45.100 0.043 0.000 0.684 311 G HN 0.277 nan 8.290 nan 0.000 0.489 312 L N 1.881 123.136 121.223 0.054 0.000 2.453 312 L HA 0.387 4.731 4.340 0.007 0.000 0.272 312 L C 1.181 178.102 176.870 0.086 0.000 1.182 312 L CA 0.594 55.476 54.840 0.069 0.000 0.858 312 L CB 0.727 42.827 42.059 0.068 0.000 1.120 312 L HN 0.110 nan 8.230 nan 0.000 0.474 313 D N 1.604 122.071 120.400 0.111 0.000 2.338 313 D HA 0.097 4.741 4.640 0.007 0.000 0.224 313 D C 0.398 176.724 176.300 0.044 0.000 0.967 313 D CA 0.779 54.832 54.000 0.087 0.000 0.896 313 D CB 0.439 41.318 40.800 0.133 0.000 1.028 313 D HN 0.419 nan 8.370 nan 0.000 0.493 314 M N 1.178 120.818 119.600 0.066 0.000 2.326 314 M HA 0.335 4.819 4.480 0.007 0.000 0.306 314 M C -1.949 174.355 176.300 0.007 0.000 1.054 314 M CA -0.607 54.687 55.300 -0.011 0.000 0.922 314 M CB 2.301 34.830 32.600 -0.119 0.000 1.632 314 M HN -0.347 nan 8.290 nan 0.000 0.436 315 I N 5.686 126.188 120.570 -0.113 0.000 2.339 315 I HA 0.294 4.467 4.170 0.007 0.000 0.290 315 I C -0.187 175.790 176.117 -0.234 0.000 0.994 315 I CA -0.516 60.653 61.300 -0.218 0.000 1.191 315 I CB 1.420 39.085 38.000 -0.559 0.000 1.343 315 I HN 0.919 nan 8.210 nan 0.000 0.458 316 M N 7.324 126.849 119.600 -0.126 0.000 2.383 316 M HA 0.139 4.623 4.480 0.007 0.000 0.337 316 M C 0.222 176.376 176.300 -0.243 0.000 1.422 316 M CA -0.001 55.212 55.300 -0.145 0.000 1.333 316 M CB 0.422 32.981 32.600 -0.068 0.000 1.488 316 M HN 0.472 nan 8.290 nan 0.000 0.454 317 V N 6.331 126.064 119.914 -0.302 0.000 2.261 317 V HA -0.081 4.043 4.120 0.007 0.000 0.246 317 V C -0.998 174.899 176.094 -0.328 0.000 1.047 317 V CA 1.845 63.977 62.300 -0.280 0.000 1.015 317 V CB -1.377 30.320 31.823 -0.211 0.000 0.642 317 V HN 0.769 nan 8.190 nan 0.000 0.446 318 P HA 0.167 nan 4.420 nan 0.000 0.291 318 P C 0.514 177.635 177.300 -0.298 0.000 1.341 318 P CA 0.380 63.207 63.100 -0.455 0.000 0.999 318 P CB 0.512 31.730 31.700 -0.804 0.000 1.501 319 N N 0.904 119.451 118.700 -0.255 0.000 2.420 319 N HA 0.050 4.794 4.740 0.007 0.000 0.185 319 N C 0.836 176.298 175.510 -0.079 0.000 1.033 319 N CA 0.658 53.635 53.050 -0.122 0.000 0.879 319 N CB -0.096 38.312 38.487 -0.133 0.000 1.071 319 N HN 0.127 nan 8.380 nan 0.000 0.437 320 K N 2.339 122.640 120.400 -0.166 0.000 2.737 320 K HA 0.042 4.366 4.320 0.007 0.000 0.251 320 K C 0.508 176.986 176.600 -0.203 0.000 1.280 320 K CA -0.228 55.906 56.287 -0.256 0.000 1.219 320 K CB -0.359 31.974 32.500 -0.278 0.000 1.587 320 K HN 0.388 nan 8.250 nan 0.000 0.279 321 Y N -1.366 118.923 120.300 -0.019 0.000 2.293 321 Y HA -0.168 4.387 4.550 0.007 0.000 0.291 321 Y C 2.081 178.050 175.900 0.114 0.000 1.137 321 Y CA 0.632 58.775 58.100 0.072 0.000 1.202 321 Y CB -0.368 38.106 38.460 0.023 0.000 0.990 321 Y HN 0.283 nan 8.280 nan 0.000 0.537 322 Q N 0.836 120.330 119.800 -0.511 0.000 2.084 322 Q HA -0.298 4.046 4.340 0.007 0.000 0.202 322 Q C 2.482 178.437 176.000 -0.075 0.000 0.978 322 Q CA 2.099 57.767 55.803 -0.226 0.000 0.844 322 Q CB -0.127 28.402 28.738 -0.348 0.000 0.898 322 Q HN 0.820 nan 8.270 nan 0.000 0.426 323 Q N -0.580 119.165 119.800 -0.092 0.000 2.079 323 Q HA -0.192 4.152 4.340 0.007 0.000 0.200 323 Q C 1.890 177.976 176.000 0.144 0.000 0.974 323 Q CA 1.383 57.175 55.803 -0.018 0.000 0.840 323 Q CB -0.372 28.292 28.738 -0.124 0.000 0.898 323 Q HN 0.415 nan 8.270 nan 0.000 0.430 324 F N 1.095 121.121 119.950 0.127 0.000 2.102 324 F HA -0.112 4.419 4.527 0.006 0.000 0.298 324 F C 1.796 177.667 175.800 0.119 0.000 1.105 324 F CA 1.423 59.571 58.000 0.248 0.000 1.239 324 F CB -0.168 38.970 39.000 0.231 0.000 0.991 324 F HN 0.071 nan 8.300 nan 0.000 0.474 325 I N -0.768 119.785 120.570 -0.029 0.000 2.252 325 I HA -0.276 3.898 4.170 0.007 0.000 0.245 325 I C 2.717 178.738 176.117 -0.160 0.000 1.102 325 I CA 1.379 62.598 61.300 -0.136 0.000 1.385 325 I CB -0.716 37.343 38.000 0.097 0.000 1.064 325 I HN 0.216 nan 8.210 nan 0.000 0.414 326 S N 1.009 116.655 115.700 -0.091 0.000 2.359 326 S HA -0.160 4.314 4.470 0.007 0.000 0.224 326 S C 2.043 176.547 174.600 -0.161 0.000 1.035 326 S CA 1.452 59.595 58.200 -0.095 0.000 1.018 326 S CB -0.239 62.927 63.200 -0.057 0.000 0.876 326 S HN 0.294 nan 8.310 nan 0.000 0.448 327 I N 0.844 121.303 120.570 -0.184 0.000 2.252 327 I HA -0.124 4.049 4.170 0.007 0.000 0.245 327 I C 2.225 178.080 176.117 -0.436 0.000 1.102 327 I CA 0.710 61.836 61.300 -0.291 0.000 1.385 327 I CB -0.213 37.691 38.000 -0.159 0.000 1.064 327 I HN 0.325 nan 8.210 nan 0.000 0.414 328 L N 0.183 121.166 121.223 -0.399 0.000 2.056 328 L HA -0.144 4.200 4.340 0.007 0.000 0.207 328 L C 2.437 179.176 176.870 -0.217 0.000 1.078 328 L CA 2.075 56.709 54.840 -0.342 0.000 0.749 328 L CB -1.005 40.702 42.059 -0.586 0.000 0.901 328 L HN 0.145 nan 8.230 nan 0.000 0.433 329 T N -0.323 114.114 114.554 -0.195 0.000 2.720 329 T HA -0.134 4.220 4.350 0.007 0.000 0.268 329 T C 1.759 176.399 174.700 -0.101 0.000 1.037 329 T CA 1.305 63.337 62.100 -0.114 0.000 1.144 329 T CB -1.057 67.760 68.868 -0.084 0.000 0.864 329 T HN 0.586 nan 8.240 nan 0.000 0.444 330 G N 0.769 109.477 108.800 -0.153 0.000 2.476 330 G HA2 -0.292 3.672 3.960 0.007 0.000 0.218 330 G HA3 -0.292 3.672 3.960 0.007 0.000 0.218 330 G C 1.232 176.080 174.900 -0.087 0.000 1.164 330 G CA 1.105 46.117 45.100 -0.146 0.000 0.768 330 G HN 0.616 nan 8.290 nan 0.000 0.560 331 H N -0.810 118.228 119.070 -0.052 0.000 2.389 331 H HA 0.002 4.562 4.556 0.006 0.000 0.299 331 H C 2.769 178.074 175.328 -0.038 0.000 1.081 331 H CA 0.661 56.683 56.048 -0.043 0.000 1.345 331 H CB 0.198 29.926 29.762 -0.057 0.000 1.393 331 H HN 0.241 nan 8.280 nan 0.000 0.520 332 V N 1.153 121.109 119.914 0.070 0.000 2.307 332 V HA -0.237 3.887 4.120 0.007 0.000 0.245 332 V C 1.849 177.952 176.094 0.015 0.000 1.045 332 V CA 1.621 63.937 62.300 0.027 0.000 1.024 332 V CB -0.309 31.512 31.823 -0.002 0.000 0.651 332 V HN 0.514 nan 8.190 nan 0.000 0.449 333 N N 0.949 119.651 118.700 0.003 0.000 2.289 333 N HA -0.103 4.641 4.740 0.007 0.000 0.184 333 N C 1.721 177.238 175.510 0.011 0.000 1.016 333 N CA 1.496 54.546 53.050 0.000 0.000 0.872 333 N CB -0.429 38.052 38.487 -0.011 0.000 0.973 333 N HN 0.541 nan 8.380 nan 0.000 0.433 334 G N -1.184 107.633 108.800 0.028 0.000 2.985 334 G HA2 0.261 4.225 3.960 0.007 0.000 0.209 334 G HA3 0.261 4.225 3.960 0.007 0.000 0.209 334 G C 1.008 175.927 174.900 0.032 0.000 1.165 334 G CA 0.499 45.620 45.100 0.036 0.000 0.776 334 G HN 0.434 nan 8.290 nan 0.000 0.541 335 G N -0.822 107.994 108.800 0.027 0.000 2.179 335 G HA2 -0.340 3.624 3.960 0.007 0.000 0.260 335 G HA3 -0.340 3.624 3.960 0.007 0.000 0.260 335 G C 1.211 176.118 174.900 0.013 0.000 0.977 335 G CA 0.586 45.696 45.100 0.016 0.000 0.641 335 G HN 0.458 nan 8.290 nan 0.000 0.533 336 V N 0.306 120.233 119.914 0.022 0.000 2.379 336 V HA 0.188 4.311 4.120 0.007 0.000 0.245 336 V C 1.581 177.652 176.094 -0.039 0.000 1.044 336 V CA 1.802 64.092 62.300 -0.017 0.000 1.036 336 V CB -0.099 31.695 31.823 -0.047 0.000 0.664 336 V HN 0.470 nan 8.190 nan 0.000 0.453 337 I N 2.352 122.916 120.570 -0.010 0.000 2.339 337 I HA 0.325 4.499 4.170 0.007 0.000 0.290 337 I C -2.255 173.862 176.117 0.000 0.000 0.994 337 I CA -2.036 59.257 61.300 -0.012 0.000 1.191 337 I CB 1.793 39.792 38.000 -0.001 0.000 1.343 337 I HN 0.115 nan 8.210 nan 0.000 0.458 338 P HA 0.131 nan 4.420 nan 0.000 0.274 338 P C 0.507 177.805 177.300 -0.003 0.000 1.237 338 P CA -0.477 62.621 63.100 -0.003 0.000 0.793 338 P CB 0.850 32.548 31.700 -0.004 0.000 0.977 339 M N 1.189 120.785 119.600 -0.005 0.000 2.213 339 M HA -0.116 4.368 4.480 0.007 0.000 0.263 339 M C 1.906 178.200 176.300 -0.009 0.000 1.062 339 M CA 2.063 57.358 55.300 -0.009 0.000 1.105 339 M CB -1.621 30.973 32.600 -0.011 0.000 1.385 339 M HN 0.483 nan 8.290 nan 0.000 0.417 340 S N -0.625 115.070 115.700 -0.007 0.000 2.453 340 S HA -0.132 4.342 4.470 0.007 0.000 0.231 340 S C 1.930 176.527 174.600 -0.005 0.000 1.005 340 S CA 0.876 59.071 58.200 -0.008 0.000 0.949 340 S CB -0.349 62.847 63.200 -0.007 0.000 0.774 340 S HN 0.354 nan 8.310 nan 0.000 0.510 341 R N 1.456 121.955 120.500 -0.002 0.000 2.090 341 R HA 0.191 4.534 4.340 0.007 0.000 0.228 341 R C 1.995 178.298 176.300 0.005 0.000 1.110 341 R CA 1.277 57.379 56.100 0.003 0.000 0.973 341 R CB -0.735 29.568 30.300 0.004 0.000 0.869 341 R HN 0.411 nan 8.270 nan 0.000 0.440 342 I N 1.101 121.671 120.570 0.001 0.000 2.252 342 I HA -0.207 3.967 4.170 0.007 0.000 0.245 342 I C 1.181 177.294 176.117 -0.008 0.000 1.102 342 I CA 1.486 62.785 61.300 -0.001 0.000 1.385 342 I CB -1.064 36.931 38.000 -0.008 0.000 1.064 342 I HN 0.169 nan 8.210 nan 0.000 0.414 343 D N 0.438 120.830 120.400 -0.012 0.000 2.183 343 D HA -0.168 4.475 4.640 0.007 0.000 0.203 343 D C 1.840 178.131 176.300 -0.015 0.000 0.969 343 D CA 1.043 55.032 54.000 -0.018 0.000 0.842 343 D CB -0.191 40.598 40.800 -0.019 0.000 0.957 343 D HN 0.364 nan 8.370 nan 0.000 0.484 344 D N 0.578 120.972 120.400 -0.010 0.000 2.097 344 D HA -0.107 4.537 4.640 0.007 0.000 0.195 344 D C 1.983 178.280 176.300 -0.005 0.000 0.989 344 D CA 1.742 55.736 54.000 -0.009 0.000 0.827 344 D CB -0.035 40.763 40.800 -0.003 0.000 0.966 344 D HN 0.052 nan 8.370 nan 0.000 0.456 345 A N -0.028 122.793 122.820 0.002 0.000 1.865 345 A HA -0.154 4.170 4.320 0.007 0.000 0.217 345 A C 2.561 180.130 177.584 -0.025 0.000 1.191 345 A CA 2.003 54.042 52.037 0.003 0.000 0.623 345 A CB -1.026 17.982 19.000 0.013 0.000 0.826 345 A HN 0.234 nan 8.150 nan 0.000 0.444 346 V N -0.366 119.531 119.914 -0.030 0.000 2.427 346 V HA -0.209 3.915 4.120 0.007 0.000 0.248 346 V C 2.705 178.782 176.094 -0.028 0.000 1.051 346 V CA 2.359 64.632 62.300 -0.045 0.000 1.048 346 V CB -1.298 30.501 31.823 -0.040 0.000 0.666 346 V HN 0.615 nan 8.190 nan 0.000 0.456 347 T N -0.183 114.362 114.554 -0.015 0.000 2.699 347 T HA -0.249 4.105 4.350 0.007 0.000 0.268 347 T C 2.095 176.801 174.700 0.011 0.000 1.036 347 T CA 1.824 63.923 62.100 -0.001 0.000 1.147 347 T CB -0.236 68.625 68.868 -0.012 0.000 0.862 347 T HN 0.437 nan 8.240 nan 0.000 0.446 348 R N 0.121 120.624 120.500 0.004 0.000 2.075 348 R HA 0.126 4.469 4.340 0.007 0.000 0.232 348 R C 2.452 178.809 176.300 0.095 0.000 1.126 348 R CA 1.037 57.155 56.100 0.031 0.000 0.963 348 R CB -0.371 29.951 30.300 0.037 0.000 0.858 348 R HN 0.390 nan 8.270 nan 0.000 0.435 349 I N 0.699 121.256 120.570 -0.022 0.000 2.252 349 I HA -0.273 3.901 4.170 0.007 0.000 0.245 349 I C 2.045 178.145 176.117 -0.029 0.000 1.102 349 I CA 1.258 62.453 61.300 -0.175 0.000 1.385 349 I CB -0.186 37.572 38.000 -0.404 0.000 1.064 349 I HN 0.143 nan 8.210 nan 0.000 0.414 350 L N 0.159 121.386 121.223 0.007 0.000 2.093 350 L HA -0.173 4.171 4.340 0.007 0.000 0.208 350 L C 2.750 179.733 176.870 0.187 0.000 1.085 350 L CA 1.061 55.940 54.840 0.065 0.000 0.755 350 L CB -0.598 41.539 42.059 0.131 0.000 0.904 350 L HN 0.227 nan 8.230 nan 0.000 0.435 351 R N 0.263 120.862 120.500 0.164 0.000 2.096 351 R HA -0.178 4.166 4.340 0.007 0.000 0.240 351 R C 2.188 178.580 176.300 0.153 0.000 1.139 351 R CA 1.933 58.129 56.100 0.160 0.000 0.952 351 R CB -0.292 30.048 30.300 0.067 0.000 0.854 351 R HN 0.137 nan 8.270 nan 0.000 0.436 352 V N 1.365 121.362 119.914 0.139 0.000 2.427 352 V HA -0.214 3.909 4.120 0.007 0.000 0.248 352 V C 2.181 178.331 176.094 0.092 0.000 1.051 352 V CA 1.977 64.344 62.300 0.112 0.000 1.048 352 V CB -0.385 31.542 31.823 0.173 0.000 0.666 352 V HN 0.398 nan 8.190 nan 0.000 0.456 353 K N -0.714 119.735 120.400 0.082 0.000 2.057 353 K HA -0.116 4.208 4.320 0.007 0.000 0.206 353 K C 2.074 178.732 176.600 0.096 0.000 1.050 353 K CA 1.495 57.804 56.287 0.037 0.000 0.935 353 K CB -0.302 32.183 32.500 -0.024 0.000 0.715 353 K HN 0.346 nan 8.250 nan 0.000 0.439 354 F N 1.451 121.493 119.950 0.154 0.000 2.146 354 F HA -0.135 4.395 4.527 0.006 0.000 0.298 354 F C 2.560 178.382 175.800 0.036 0.000 1.096 354 F CA 1.185 59.220 58.000 0.058 0.000 1.275 354 F CB -0.805 38.135 39.000 -0.100 0.000 1.008 354 F HN -0.031 nan 8.300 nan 0.000 0.480 355 T N 0.853 115.528 114.554 0.201 0.000 2.777 355 T HA -0.212 4.142 4.350 0.007 0.000 0.266 355 T C 1.888 176.597 174.700 0.014 0.000 1.040 355 T CA 1.668 63.826 62.100 0.097 0.000 1.141 355 T CB -0.451 68.460 68.868 0.071 0.000 0.868 355 T HN 0.378 nan 8.240 nan 0.000 0.444 356 M N 0.261 119.863 119.600 0.005 0.000 2.659 356 M HA 0.390 4.874 4.480 0.007 0.000 0.243 356 M C 1.558 177.854 176.300 -0.006 0.000 1.111 356 M CA 0.945 56.213 55.300 -0.053 0.000 1.070 356 M CB -0.151 32.417 32.600 -0.054 0.000 1.525 356 M HN 0.281 nan 8.290 nan 0.000 0.517 357 G N 1.190 110.028 108.800 0.064 0.000 2.175 357 G HA2 -0.231 3.733 3.960 0.007 0.000 0.244 357 G HA3 -0.231 3.733 3.960 0.007 0.000 0.244 357 G C 0.606 175.557 174.900 0.085 0.000 0.982 357 G CA 0.289 45.435 45.100 0.077 0.000 0.641 357 G HN 0.478 nan 8.290 nan 0.000 0.527 358 L N -0.802 120.466 121.223 0.075 0.000 2.079 358 L HA 0.000 4.344 4.340 0.007 0.000 0.210 358 L C 2.624 179.479 176.870 -0.025 0.000 1.081 358 L CA 2.094 56.930 54.840 -0.007 0.000 0.752 358 L CB -0.392 41.625 42.059 -0.069 0.000 0.896 358 L HN 0.338 nan 8.230 nan 0.000 0.433 359 F N 0.178 120.085 119.950 -0.071 0.000 2.325 359 F HA -0.157 4.373 4.527 0.005 0.000 0.299 359 F C 2.342 178.147 175.800 0.008 0.000 1.090 359 F CA 0.877 58.857 58.000 -0.033 0.000 1.392 359 F CB -0.120 38.908 39.000 0.047 0.000 1.053 359 F HN 0.073 nan 8.300 nan 0.000 0.521 360 E N -0.817 119.500 120.200 0.194 0.000 2.250 360 E HA 0.040 4.394 4.350 0.007 0.000 0.192 360 E C 0.064 176.707 176.600 0.071 0.000 0.986 360 E CA 0.559 57.036 56.400 0.127 0.000 0.849 360 E CB -0.002 29.768 29.700 0.117 0.000 0.797 360 E HN 0.129 nan 8.360 nan 0.000 0.482 361 N N 0.577 119.298 118.700 0.034 0.000 2.752 361 N HA 0.126 4.870 4.740 0.007 0.000 0.260 361 N C -2.335 173.137 175.510 -0.064 0.000 1.562 361 N CA -0.736 52.321 53.050 0.013 0.000 0.788 361 N CB 1.677 40.182 38.487 0.029 0.000 1.192 361 N HN 0.024 nan 8.380 nan 0.000 0.503 362 P HA 0.041 nan 4.420 nan 0.000 0.235 362 P C -0.330 176.705 177.300 -0.441 0.000 1.177 362 P CA 0.748 63.609 63.100 -0.399 0.000 0.785 362 P CB 0.354 31.683 31.700 -0.617 0.000 0.885 363 Y N 0.163 120.469 120.300 0.010 0.000 2.528 363 Y HA 0.591 5.144 4.550 0.005 0.000 0.335 363 Y C 0.945 176.855 175.900 0.015 0.000 1.093 363 Y CA -1.675 56.433 58.100 0.013 0.000 1.134 363 Y CB 0.622 39.088 38.460 0.010 0.000 1.253 363 Y HN -0.152 nan 8.280 nan 0.000 0.478 364 A N 0.894 123.837 122.820 0.204 0.000 2.386 364 A HA 0.265 4.589 4.320 0.007 0.000 0.248 364 A C -0.547 177.093 177.584 0.094 0.000 1.082 364 A CA -0.278 51.825 52.037 0.111 0.000 0.789 364 A CB -0.009 19.046 19.000 0.092 0.000 1.025 364 A HN 0.671 nan 8.150 nan 0.000 0.490 365 D N 1.613 122.052 120.400 0.065 0.000 2.412 365 D HA 0.381 5.025 4.640 0.007 0.000 0.224 365 D C -1.783 174.541 176.300 0.039 0.000 1.093 365 D CA -2.051 51.979 54.000 0.050 0.000 0.850 365 D CB 1.275 42.100 40.800 0.042 0.000 1.046 365 D HN 0.101 nan 8.370 nan 0.000 0.507 366 P HA -0.083 nan 4.420 nan 0.000 0.219 366 P C 0.945 178.259 177.300 0.023 0.000 1.146 366 P CA 0.794 63.910 63.100 0.026 0.000 0.808 366 P CB 0.163 31.873 31.700 0.016 0.000 0.779 367 A N -1.065 121.768 122.820 0.022 0.000 2.172 367 A HA -0.052 4.272 4.320 0.007 0.000 0.216 367 A C 1.999 179.595 177.584 0.020 0.000 1.154 367 A CA 1.055 53.103 52.037 0.019 0.000 0.701 367 A CB -1.117 17.894 19.000 0.018 0.000 0.789 367 A HN 0.079 nan 8.150 nan 0.000 0.465 368 M N -1.093 118.522 119.600 0.024 0.000 2.541 368 M HA 0.069 4.553 4.480 0.007 0.000 0.252 368 M C 2.351 178.665 176.300 0.024 0.000 1.125 368 M CA 0.916 56.231 55.300 0.025 0.000 1.091 368 M CB -0.849 31.767 32.600 0.026 0.000 1.420 368 M HN 0.491 nan 8.290 nan 0.000 0.486 369 A N 1.133 123.968 122.820 0.025 0.000 1.927 369 A HA -0.197 4.127 4.320 0.007 0.000 0.220 369 A C 1.902 179.498 177.584 0.020 0.000 1.185 369 A CA 1.743 53.796 52.037 0.027 0.000 0.639 369 A CB -0.686 18.334 19.000 0.033 0.000 0.820 369 A HN 0.554 nan 8.150 nan 0.000 0.451 370 E N -0.297 119.910 120.200 0.012 0.000 2.516 370 E HA -0.120 4.234 4.350 0.007 0.000 0.199 370 E C 1.617 178.210 176.600 -0.012 0.000 1.069 370 E CA 0.311 56.710 56.400 -0.001 0.000 0.876 370 E CB -0.088 29.607 29.700 -0.008 0.000 0.843 370 E HN 0.609 nan 8.360 nan 0.000 0.530 371 Q N 0.167 119.972 119.800 0.009 0.000 2.291 371 Q HA -0.087 4.257 4.340 0.007 0.000 0.206 371 Q C 0.969 176.996 176.000 0.045 0.000 0.976 371 Q CA 0.468 56.292 55.803 0.035 0.000 0.875 371 Q CB -0.345 28.455 28.738 0.103 0.000 0.927 371 Q HN 0.242 nan 8.270 nan 0.000 0.450 372 L N 0.658 121.893 121.223 0.020 0.000 2.410 372 L HA 0.247 4.590 4.340 0.007 0.000 0.273 372 L C 0.953 177.815 176.870 -0.013 0.000 1.144 372 L CA 1.206 56.053 54.840 0.011 0.000 0.863 372 L CB 0.558 42.611 42.059 -0.009 0.000 1.140 372 L HN 0.448 nan 8.230 nan 0.000 0.463 373 G N 2.948 111.741 108.800 -0.013 0.000 2.203 373 G HA2 -0.365 3.599 3.960 0.007 0.000 0.263 373 G HA3 -0.365 3.599 3.960 0.007 0.000 0.263 373 G C 0.579 175.423 174.900 -0.094 0.000 1.012 373 G CA 0.636 45.697 45.100 -0.064 0.000 0.749 373 G HN 0.740 nan 8.290 nan 0.000 0.512 374 K N -0.401 119.905 120.400 -0.157 0.000 2.489 374 K HA 0.172 4.496 4.320 0.007 0.000 0.278 374 K C 1.714 178.160 176.600 -0.257 0.000 1.000 374 K CA 0.194 56.306 56.287 -0.291 0.000 1.012 374 K CB 0.468 32.623 32.500 -0.576 0.000 0.903 374 K HN 0.166 nan 8.250 nan 0.000 0.485 375 Q N 2.728 122.425 119.800 -0.172 0.000 2.077 375 Q HA -0.242 4.102 4.340 0.007 0.000 0.206 375 Q C 0.881 176.822 176.000 -0.098 0.000 0.989 375 Q CA 2.212 57.947 55.803 -0.113 0.000 0.853 375 Q CB 0.021 28.711 28.738 -0.080 0.000 0.907 375 Q HN 0.672 nan 8.270 nan 0.000 0.418 376 E N -1.004 119.120 120.200 -0.127 0.000 2.160 376 E HA -0.189 4.165 4.350 0.007 0.000 0.195 376 E C 1.897 178.534 176.600 0.062 0.000 0.991 376 E CA 1.443 57.818 56.400 -0.043 0.000 0.810 376 E CB -0.238 29.437 29.700 -0.041 0.000 0.742 376 E HN 0.527 nan 8.360 nan 0.000 0.466 377 H N 0.134 119.208 119.070 0.006 0.000 2.387 377 H HA 0.039 4.598 4.556 0.006 0.000 0.299 377 H C 1.938 177.238 175.328 -0.046 0.000 1.090 377 H CA 1.203 57.274 56.048 0.039 0.000 1.332 377 H CB -0.169 29.620 29.762 0.046 0.000 1.386 377 H HN 0.111 nan 8.280 nan 0.000 0.516 378 R N 0.401 120.899 120.500 -0.004 0.000 2.115 378 R HA -0.087 4.257 4.340 0.007 0.000 0.230 378 R C 1.565 177.833 176.300 -0.053 0.000 1.111 378 R CA 1.188 57.228 56.100 -0.099 0.000 0.976 378 R CB 0.059 30.296 30.300 -0.106 0.000 0.870 378 R HN 0.339 nan 8.270 nan 0.000 0.445 379 D N 0.971 121.364 120.400 -0.012 0.000 2.144 379 D HA -0.149 4.495 4.640 0.007 0.000 0.199 379 D C 1.853 178.163 176.300 0.017 0.000 0.984 379 D CA 0.790 54.789 54.000 -0.002 0.000 0.834 379 D CB -0.145 40.661 40.800 0.009 0.000 0.955 379 D HN 0.081 nan 8.370 nan 0.000 0.465 380 L N 0.891 122.158 121.223 0.073 0.000 2.083 380 L HA -0.046 4.298 4.340 0.007 0.000 0.209 380 L C 2.087 179.054 176.870 0.161 0.000 1.083 380 L CA 1.649 56.556 54.840 0.113 0.000 0.752 380 L CB -0.590 41.574 42.059 0.175 0.000 0.899 380 L HN -0.041 nan 8.230 nan 0.000 0.433 381 A N -0.304 122.607 122.820 0.152 0.000 1.930 381 A HA -0.214 4.110 4.320 0.007 0.000 0.217 381 A C 2.524 180.111 177.584 0.004 0.000 1.175 381 A CA 1.584 53.658 52.037 0.062 0.000 0.627 381 A CB -0.635 18.111 19.000 -0.423 0.000 0.815 381 A HN 0.526 nan 8.150 nan 0.000 0.443 382 R N -0.081 120.397 120.500 -0.038 0.000 2.083 382 R HA -0.198 4.146 4.340 0.007 0.000 0.237 382 R C 2.221 178.477 176.300 -0.073 0.000 1.137 382 R CA 1.905 57.975 56.100 -0.050 0.000 0.951 382 R CB -0.345 29.924 30.300 -0.051 0.000 0.851 382 R HN 0.704 nan 8.270 nan 0.000 0.434 383 E N -0.174 119.977 120.200 -0.083 0.000 2.051 383 E HA -0.218 4.136 4.350 0.007 0.000 0.192 383 E C 1.796 178.347 176.600 -0.083 0.000 0.991 383 E CA 1.283 57.597 56.400 -0.144 0.000 0.799 383 E CB -0.158 29.474 29.700 -0.113 0.000 0.748 383 E HN 0.492 nan 8.360 nan 0.000 0.449 384 A N 1.322 124.143 122.820 0.001 0.000 1.908 384 A HA -0.148 4.176 4.320 0.007 0.000 0.218 384 A C 2.422 180.038 177.584 0.053 0.000 1.181 384 A CA 2.053 54.115 52.037 0.043 0.000 0.627 384 A CB -0.852 18.220 19.000 0.121 0.000 0.818 384 A HN 0.440 nan 8.150 nan 0.000 0.445 385 A N -0.515 122.333 122.820 0.047 0.000 1.902 385 A HA -0.178 4.146 4.320 0.007 0.000 0.217 385 A C 2.303 179.913 177.584 0.043 0.000 1.181 385 A CA 1.716 53.792 52.037 0.066 0.000 0.623 385 A CB -0.538 18.486 19.000 0.039 0.000 0.818 385 A HN 0.468 nan 8.150 nan 0.000 0.443 386 R N 0.323 120.803 120.500 -0.034 0.000 2.073 386 R HA -0.122 4.222 4.340 0.007 0.000 0.234 386 R C 1.764 178.026 176.300 -0.063 0.000 1.134 386 R CA 2.024 58.067 56.100 -0.095 0.000 0.952 386 R CB -0.399 29.770 30.300 -0.218 0.000 0.850 386 R HN 0.528 nan 8.270 nan 0.000 0.433 387 K N 0.406 120.779 120.400 -0.045 0.000 2.362 387 K HA -0.049 4.275 4.320 0.007 0.000 0.200 387 K C 1.881 178.539 176.600 0.097 0.000 1.046 387 K CA 1.374 57.668 56.287 0.012 0.000 0.952 387 K CB 0.039 32.538 32.500 -0.001 0.000 0.753 387 K HN 0.297 nan 8.250 nan 0.000 0.466 388 S N 0.391 116.176 115.700 0.141 0.000 2.501 388 S HA 0.060 4.534 4.470 0.007 0.000 0.220 388 S C 0.687 175.523 174.600 0.393 0.000 0.997 388 S CA -0.278 58.075 58.200 0.255 0.000 0.919 388 S CB -0.309 63.059 63.200 0.280 0.000 0.778 388 S HN 0.087 nan 8.310 nan 0.000 0.523 389 L N 2.768 124.160 121.223 0.282 0.000 2.513 389 L HA 0.260 4.603 4.340 0.007 0.000 0.272 389 L C -0.567 176.494 176.870 0.318 0.000 1.187 389 L CA -0.473 54.535 54.840 0.280 0.000 0.895 389 L CB 0.386 42.617 42.059 0.287 0.000 1.147 389 L HN 0.054 nan 8.230 nan 0.000 0.483 390 V N 4.993 125.032 119.914 0.208 0.000 2.347 390 V HA 0.190 4.313 4.120 0.007 0.000 0.280 390 V C 0.076 176.107 176.094 -0.106 0.000 1.021 390 V CA -0.608 61.764 62.300 0.120 0.000 0.847 390 V CB 1.673 33.633 31.823 0.228 0.000 0.990 390 V HN 0.435 nan 8.190 nan 0.000 0.444 391 L N 6.154 127.224 121.223 -0.256 0.000 2.385 391 L HA 0.301 4.645 4.340 0.007 0.000 0.281 391 L C 0.715 177.354 176.870 -0.385 0.000 1.106 391 L CA 0.739 55.258 54.840 -0.535 0.000 0.856 391 L CB 0.275 41.798 42.059 -0.892 0.000 1.186 391 L HN 0.607 nan 8.230 nan 0.000 0.453 392 L N 3.687 124.683 121.223 -0.379 0.000 2.354 392 L HA 0.246 4.590 4.340 0.007 0.000 0.212 392 L C 0.745 177.473 176.870 -0.236 0.000 1.091 392 L CA 0.242 54.838 54.840 -0.405 0.000 0.828 392 L CB -0.120 41.506 42.059 -0.722 0.000 0.973 392 L HN 0.580 nan 8.230 nan 0.000 0.461 393 K N 0.201 120.463 120.400 -0.229 0.000 2.543 393 K HA 0.247 4.571 4.320 0.007 0.000 0.255 393 K C -1.349 175.148 176.600 -0.171 0.000 0.934 393 K CA -0.457 55.746 56.287 -0.139 0.000 0.810 393 K CB 1.788 34.221 32.500 -0.111 0.000 1.315 393 K HN -0.266 nan 8.250 nan 0.000 0.433 394 N N 1.924 120.546 118.700 -0.131 0.000 2.733 394 N HA 0.341 5.085 4.740 0.007 0.000 0.271 394 N C -1.658 173.802 175.510 -0.082 0.000 1.720 394 N CA 0.243 53.213 53.050 -0.134 0.000 0.803 394 N CB 1.404 39.796 38.487 -0.158 0.000 1.208 394 N HN 0.855 nan 8.380 nan 0.000 0.498 395 G N 1.049 109.808 108.800 -0.067 0.000 2.634 395 G HA2 -0.073 3.891 3.960 0.007 0.000 0.568 395 G HA3 -0.073 3.891 3.960 0.007 0.000 0.568 395 G C 0.163 175.042 174.900 -0.034 0.000 1.495 395 G CA -0.727 44.347 45.100 -0.044 0.000 0.903 395 G HN 0.229 nan 8.290 nan 0.000 0.646 396 K N -0.569 119.815 120.400 -0.027 0.000 2.217 396 K HA 0.102 4.426 4.320 0.007 0.000 0.202 396 K C 1.628 178.218 176.600 -0.017 0.000 1.051 396 K CA 1.646 57.920 56.287 -0.023 0.000 0.952 396 K CB 0.056 32.545 32.500 -0.018 0.000 0.736 396 K HN 0.853 nan 8.250 nan 0.000 0.453 397 T N -3.681 110.865 114.554 -0.014 0.000 2.887 397 T HA 0.145 4.499 4.350 0.007 0.000 0.292 397 T C 0.903 175.598 174.700 -0.008 0.000 1.087 397 T CA -0.576 61.518 62.100 -0.010 0.000 1.009 397 T CB 1.681 70.544 68.868 -0.008 0.000 1.203 397 T HN -0.023 nan 8.240 nan 0.000 0.518 398 S N -0.424 115.273 115.700 -0.005 0.000 2.507 398 S HA -0.060 4.414 4.470 0.007 0.000 0.235 398 S C 1.625 176.223 174.600 -0.003 0.000 0.988 398 S CA 1.020 59.218 58.200 -0.002 0.000 0.944 398 S CB -1.175 62.026 63.200 0.002 0.000 0.762 398 S HN 1.064 nan 8.310 nan 0.000 0.526 399 T N -2.197 112.355 114.554 -0.003 0.000 3.069 399 T HA 0.244 4.598 4.350 0.007 0.000 0.252 399 T C -0.188 174.510 174.700 -0.003 0.000 1.053 399 T CA -0.467 61.631 62.100 -0.003 0.000 0.964 399 T CB -0.268 68.599 68.868 -0.001 0.000 1.005 399 T HN 0.104 nan 8.240 nan 0.000 0.532 400 D N 2.450 122.846 120.400 -0.006 0.000 2.362 400 D HA 0.558 5.202 4.640 0.007 0.000 0.242 400 D C 0.338 176.633 176.300 -0.008 0.000 1.132 400 D CA -0.121 53.875 54.000 -0.007 0.000 0.907 400 D CB 0.945 41.739 40.800 -0.010 0.000 1.195 400 D HN 0.478 nan 8.370 nan 0.000 0.429 401 A N 2.497 125.314 122.820 -0.006 0.000 2.498 401 A HA 0.323 4.647 4.320 0.007 0.000 0.239 401 A C -2.011 175.562 177.584 -0.018 0.000 1.068 401 A CA -0.914 51.118 52.037 -0.007 0.000 0.766 401 A CB -0.382 18.618 19.000 -0.000 0.000 1.003 401 A HN 0.377 nan 8.150 nan 0.000 0.497 402 P HA 0.053 nan 4.420 nan 0.000 0.267 402 P C 0.559 177.832 177.300 -0.045 0.000 1.209 402 P CA -0.216 62.862 63.100 -0.037 0.000 0.763 402 P CB 0.726 32.408 31.700 -0.031 0.000 0.816 403 L N 4.314 125.498 121.223 -0.065 0.000 2.109 403 L HA 0.058 4.402 4.340 0.007 0.000 0.207 403 L C 0.720 177.520 176.870 -0.116 0.000 1.086 403 L CA 1.485 56.273 54.840 -0.087 0.000 0.760 403 L CB -0.215 41.786 42.059 -0.096 0.000 0.910 403 L HN 0.281 nan 8.230 nan 0.000 0.437 404 L N 1.354 122.518 121.223 -0.099 0.000 2.322 404 L HA 0.434 4.778 4.340 0.007 0.000 0.279 404 L C -2.146 174.720 176.870 -0.006 0.000 1.036 404 L CA -2.045 52.755 54.840 -0.067 0.000 0.807 404 L CB 1.112 43.153 42.059 -0.031 0.000 1.226 404 L HN -0.032 nan 8.230 nan 0.000 0.433 405 P HA 0.276 nan 4.420 nan 0.000 0.281 405 P C -0.961 176.299 177.300 -0.068 0.000 1.249 405 P CA -0.502 62.596 63.100 -0.004 0.000 0.810 405 P CB 1.176 32.900 31.700 0.040 0.000 1.008 406 L N 3.160 124.288 121.223 -0.158 0.000 2.350 406 L HA 0.366 4.710 4.340 0.007 0.000 0.275 406 L C -1.795 175.142 176.870 0.110 0.000 1.099 406 L CA -2.121 52.585 54.840 -0.223 0.000 0.808 406 L CB 0.343 42.034 42.059 -0.613 0.000 1.149 406 L HN 0.272 nan 8.230 nan 0.000 0.442 407 P HA 0.096 nan 4.420 nan 0.000 0.271 407 P C -0.499 177.009 177.300 0.345 0.000 1.216 407 P CA -0.292 62.943 63.100 0.226 0.000 0.776 407 P CB 0.830 32.644 31.700 0.191 0.000 0.881 408 K N 1.068 121.579 120.400 0.185 0.000 2.366 408 K HA -0.034 4.290 4.320 0.007 0.000 0.198 408 K C 0.946 177.566 176.600 0.034 0.000 1.044 408 K CA 0.823 57.110 56.287 -0.000 0.000 0.973 408 K CB 0.055 32.474 32.500 -0.135 0.000 0.767 408 K HN 0.364 nan 8.250 nan 0.000 0.475 409 K N 1.055 121.507 120.400 0.086 0.000 2.367 409 K HA 0.461 4.784 4.320 0.007 0.000 0.263 409 K C -1.578 175.082 176.600 0.100 0.000 1.000 409 K CA -0.441 55.883 56.287 0.062 0.000 0.891 409 K CB 1.409 33.932 32.500 0.038 0.000 1.117 409 K HN -0.006 nan 8.250 nan 0.000 0.443 410 A N 4.860 127.729 122.820 0.082 0.000 2.549 410 A HA 0.499 4.823 4.320 0.007 0.000 0.297 410 A C -2.482 175.112 177.584 0.018 0.000 1.061 410 A CA -1.440 50.639 52.037 0.070 0.000 0.690 410 A CB 1.358 20.416 19.000 0.097 0.000 1.287 410 A HN 0.584 nan 8.150 nan 0.000 0.402 411 P HA -0.066 nan 4.420 nan 0.000 0.216 411 P C 0.092 177.380 177.300 -0.019 0.000 1.150 411 P CA 1.476 64.569 63.100 -0.012 0.000 0.837 411 P CB 0.224 31.910 31.700 -0.023 0.000 0.786 412 K N -0.449 119.936 120.400 -0.026 0.000 2.580 412 K HA 0.402 4.726 4.320 0.007 0.000 0.258 412 K C -1.500 175.139 176.600 0.064 0.000 0.936 412 K CA -0.711 55.588 56.287 0.020 0.000 0.852 412 K CB 1.034 33.514 32.500 -0.033 0.000 1.329 412 K HN -0.040 nan 8.250 nan 0.000 0.430 413 I N 0.997 121.620 120.570 0.088 0.000 2.934 413 I HA 0.629 4.803 4.170 0.007 0.000 0.306 413 I C -1.750 174.336 176.117 -0.053 0.000 1.110 413 I CA -1.334 59.906 61.300 -0.101 0.000 1.019 413 I CB 1.969 39.751 38.000 -0.363 0.000 1.227 413 I HN 0.519 nan 8.210 nan 0.000 0.434 414 L N 4.999 126.028 121.223 -0.323 0.000 2.322 414 L HA 0.672 5.016 4.340 0.007 0.000 0.281 414 L C -1.107 175.696 176.870 -0.112 0.000 1.014 414 L CA -0.421 54.149 54.840 -0.450 0.000 0.815 414 L CB 1.780 43.221 42.059 -1.030 0.000 1.247 414 L HN 0.530 nan 8.230 nan 0.000 0.421 415 V N 5.403 125.337 119.914 0.034 0.000 2.384 415 V HA 0.899 5.023 4.120 0.007 0.000 0.287 415 V C 0.188 176.389 176.094 0.178 0.000 1.020 415 V CA 0.007 62.404 62.300 0.161 0.000 0.850 415 V CB 0.776 32.752 31.823 0.255 0.000 0.987 415 V HN 1.010 nan 8.190 nan 0.000 0.436 416 A N 3.634 126.517 122.820 0.106 0.000 2.485 416 A HA 1.076 5.400 4.320 0.007 0.000 0.292 416 A C 0.084 177.739 177.584 0.118 0.000 1.147 416 A CA -0.270 51.781 52.037 0.023 0.000 0.750 416 A CB 1.875 20.838 19.000 -0.061 0.000 1.331 416 A HN 2.107 nan 8.150 nan 0.000 0.419 417 G N -1.115 107.738 108.800 0.087 0.000 2.539 417 G HA2 0.303 4.267 3.960 0.007 0.000 0.686 417 G HA3 0.303 4.267 3.960 0.007 0.000 0.686 417 G C 0.457 175.498 174.900 0.236 0.000 1.258 417 G CA 0.484 45.666 45.100 0.137 0.000 0.846 417 G HN 2.019 nan 8.290 nan 0.000 0.647 418 S N -0.926 114.947 115.700 0.288 0.000 2.481 418 S HA -0.010 4.464 4.470 0.007 0.000 0.231 418 S C 1.331 176.158 174.600 0.379 0.000 0.996 418 S CA 1.804 60.206 58.200 0.337 0.000 0.942 418 S CB -0.072 63.386 63.200 0.430 0.000 0.768 418 S HN 0.784 nan 8.310 nan 0.000 0.520 419 H N 0.603 119.820 119.070 0.246 0.000 2.549 419 H HA 0.610 5.170 4.556 0.006 0.000 0.279 419 H C 1.835 177.254 175.328 0.152 0.000 1.018 419 H CA 0.094 56.288 56.048 0.243 0.000 1.175 419 H CB -0.040 29.847 29.762 0.208 0.000 1.485 419 H HN 0.510 nan 8.280 nan 0.000 0.543 420 A N -0.150 122.824 122.820 0.257 0.000 2.016 420 A HA -0.031 4.293 4.320 0.007 0.000 0.217 420 A C 0.616 178.220 177.584 0.034 0.000 1.162 420 A CA 1.312 53.458 52.037 0.181 0.000 0.662 420 A CB 0.338 19.515 19.000 0.295 0.000 0.812 420 A HN 0.251 nan 8.150 nan 0.000 0.450 421 D N -0.534 119.852 120.400 -0.022 0.000 2.945 421 D HA 0.176 4.820 4.640 0.007 0.000 0.340 421 D C -1.193 175.023 176.300 -0.141 0.000 1.240 421 D CA -0.259 53.636 54.000 -0.174 0.000 0.749 421 D CB -0.172 40.356 40.800 -0.453 0.000 1.217 421 D HN 0.127 nan 8.370 nan 0.000 0.514 422 N N 2.300 120.928 118.700 -0.119 0.000 2.664 422 N HA 0.039 4.783 4.740 0.007 0.000 0.268 422 N C 0.366 175.795 175.510 -0.135 0.000 1.222 422 N CA -0.396 52.524 53.050 -0.216 0.000 0.805 422 N CB 1.007 39.237 38.487 -0.427 0.000 1.399 422 N HN 0.149 nan 8.380 nan 0.000 0.547 423 L N 3.712 124.870 121.223 -0.109 0.000 2.042 423 L HA 0.126 4.470 4.340 0.007 0.000 0.210 423 L C 2.067 178.917 176.870 -0.032 0.000 1.076 423 L CA 2.485 57.289 54.840 -0.060 0.000 0.749 423 L CB -0.621 41.398 42.059 -0.068 0.000 0.893 423 L HN 0.655 nan 8.230 nan 0.000 0.432 424 G N -1.821 106.941 108.800 -0.063 0.000 2.422 424 G HA2 -0.297 3.666 3.960 0.007 0.000 0.218 424 G HA3 -0.297 3.666 3.960 0.007 0.000 0.218 424 G C 1.386 176.353 174.900 0.112 0.000 1.146 424 G CA 0.780 45.879 45.100 -0.001 0.000 0.769 424 G HN 0.399 nan 8.290 nan 0.000 0.547 425 Y N 0.522 120.759 120.300 -0.105 0.000 2.224 425 Y HA -0.082 4.472 4.550 0.006 0.000 0.289 425 Y C 2.843 178.744 175.900 0.001 0.000 1.146 425 Y CA 0.941 58.971 58.100 -0.116 0.000 1.182 425 Y CB -0.870 37.366 38.460 -0.373 0.000 0.983 425 Y HN 0.352 nan 8.280 nan 0.000 0.524 426 Q N -1.036 118.867 119.800 0.173 0.000 2.230 426 Q HA -0.135 4.209 4.340 0.007 0.000 0.202 426 Q C 2.023 178.090 176.000 0.111 0.000 0.963 426 Q CA 1.499 57.387 55.803 0.142 0.000 0.866 426 Q CB -0.067 28.723 28.738 0.087 0.000 0.931 426 Q HN 0.445 nan 8.270 nan 0.000 0.452 427 C N -0.282 119.075 119.300 0.095 0.000 2.512 427 C HA 0.338 4.801 4.460 0.007 0.000 0.276 427 C C 1.385 176.465 174.990 0.151 0.000 1.368 427 C CA 0.337 59.427 59.018 0.120 0.000 1.755 427 C CB -0.982 26.817 27.740 0.098 0.000 2.008 427 C HN 0.836 nan 8.230 nan 0.000 0.511 428 G N 0.185 109.021 108.800 0.060 0.000 2.645 428 G HA2 0.113 4.077 3.960 0.007 0.000 0.239 428 G HA3 0.113 4.077 3.960 0.007 0.000 0.239 428 G C 0.156 175.010 174.900 -0.077 0.000 1.331 428 G CA -0.416 44.618 45.100 -0.109 0.000 0.890 428 G HN 0.860 nan 8.290 nan 0.000 0.572 429 G N -2.768 105.851 108.800 -0.302 0.000 2.684 429 G HA2 0.464 4.428 3.960 0.007 0.000 0.255 429 G HA3 0.464 4.428 3.960 0.007 0.000 0.255 429 G C 0.428 175.446 174.900 0.196 0.000 1.219 429 G CA 0.658 45.650 45.100 -0.180 0.000 0.901 429 G HN 1.794 nan 8.290 nan 0.000 0.548 430 W N -1.531 119.832 121.300 0.104 0.000 5.963 430 W HA -0.172 4.492 4.660 0.007 0.000 0.400 430 W C 0.235 176.964 176.519 0.350 0.000 1.530 430 W CA 0.641 58.130 57.345 0.239 0.000 1.004 430 W CB -1.861 27.761 29.460 0.270 0.000 2.706 430 W HN 0.566 nan 8.180 nan 0.000 1.495 431 T N 0.894 115.688 114.554 0.399 0.000 3.066 431 T HA 0.399 4.753 4.350 0.007 0.000 0.318 431 T C 0.808 175.631 174.700 0.205 0.000 0.979 431 T CA -0.225 62.061 62.100 0.310 0.000 1.025 431 T CB 1.556 70.570 68.868 0.244 0.000 1.002 431 T HN 0.089 nan 8.240 nan 0.000 0.453 432 I N -0.321 120.372 120.570 0.204 0.000 4.608 432 I HA -0.258 3.916 4.170 0.007 0.000 0.051 432 I C 0.687 176.934 176.117 0.216 0.000 0.619 432 I CA 1.689 63.108 61.300 0.199 0.000 0.844 432 I CB -1.364 36.733 38.000 0.162 0.000 0.772 432 I HN 0.535 nan 8.210 nan 0.000 0.161 433 E N 0.446 120.754 120.200 0.179 0.000 2.250 433 E HA 0.058 4.412 4.350 0.007 0.000 0.269 433 E C 0.537 177.249 176.600 0.187 0.000 1.018 433 E CA -0.434 56.071 56.400 0.175 0.000 0.873 433 E CB 0.758 30.529 29.700 0.117 0.000 1.134 433 E HN 0.376 nan 8.360 nan 0.000 0.403 434 W N 2.412 123.671 121.300 -0.070 0.000 2.301 434 W HA -0.228 4.436 4.660 0.006 0.000 0.325 434 W C 1.400 177.671 176.519 -0.414 0.000 1.250 434 W CA 1.726 58.883 57.345 -0.313 0.000 1.261 434 W CB -0.048 29.219 29.460 -0.321 0.000 1.157 434 W HN 0.401 nan 8.180 nan 0.000 0.473 435 Q N 0.642 120.227 119.800 -0.358 0.000 2.444 435 Q HA 0.216 4.559 4.340 0.007 0.000 0.206 435 Q C 1.155 177.007 176.000 -0.246 0.000 0.948 435 Q CA 1.122 56.630 55.803 -0.492 0.000 0.946 435 Q CB -0.606 27.918 28.738 -0.357 0.000 1.027 435 Q HN 0.391 nan 8.270 nan 0.000 0.513 436 G N 1.339 110.074 108.800 -0.108 0.000 2.750 436 G HA2 -0.198 3.766 3.960 0.007 0.000 0.228 436 G HA3 -0.198 3.766 3.960 0.007 0.000 0.228 436 G C -0.674 174.228 174.900 0.004 0.000 1.367 436 G CA 0.019 45.111 45.100 -0.014 0.000 0.871 436 G HN 0.333 nan 8.290 nan 0.000 0.560 437 D N -2.648 117.771 120.400 0.033 0.000 2.713 437 D HA 0.656 5.300 4.640 0.007 0.000 0.306 437 D C -0.342 175.974 176.300 0.028 0.000 1.299 437 D CA 0.555 54.573 54.000 0.030 0.000 0.823 437 D CB 1.366 42.184 40.800 0.030 0.000 1.353 437 D HN 0.729 nan 8.370 nan 0.000 0.447 438 T N -0.502 114.030 114.554 -0.037 0.000 2.895 438 T HA 0.691 5.045 4.350 0.007 0.000 0.283 438 T C 0.352 174.927 174.700 -0.208 0.000 1.014 438 T CA 1.141 63.115 62.100 -0.209 0.000 1.037 438 T CB 0.458 69.176 68.868 -0.251 0.000 1.006 438 T HN 0.862 nan 8.240 nan 0.000 0.468 439 G N 2.888 111.515 108.800 -0.288 0.000 2.548 439 G HA2 -0.134 3.830 3.960 0.007 0.000 0.208 439 G HA3 -0.134 3.830 3.960 0.007 0.000 0.208 439 G C -0.473 174.357 174.900 -0.117 0.000 1.308 439 G CA -0.305 44.680 45.100 -0.190 0.000 0.924 439 G HN 0.886 nan 8.290 nan 0.000 0.540 440 R N 0.805 121.262 120.500 -0.072 0.000 2.870 440 R HA 0.488 4.832 4.340 0.007 0.000 0.254 440 R C 1.797 178.106 176.300 0.014 0.000 1.392 440 R CA 0.741 56.819 56.100 -0.037 0.000 1.322 440 R CB -0.372 29.910 30.300 -0.031 0.000 1.205 440 R HN 0.794 nan 8.270 nan 0.000 0.597 441 T N -1.579 112.986 114.554 0.018 0.000 3.065 441 T HA 0.061 4.415 4.350 0.007 0.000 0.252 441 T C 0.851 175.624 174.700 0.123 0.000 1.099 441 T CA 0.506 62.651 62.100 0.076 0.000 1.063 441 T CB 0.419 69.319 68.868 0.053 0.000 0.948 441 T HN 0.387 nan 8.240 nan 0.000 0.506 442 T N -0.090 114.462 114.554 -0.003 0.000 2.637 442 T HA 0.506 4.860 4.350 0.007 0.000 0.303 442 T C -1.767 172.751 174.700 -0.304 0.000 1.288 442 T CA -0.520 61.424 62.100 -0.261 0.000 1.040 442 T CB 1.239 69.959 68.868 -0.246 0.000 1.644 442 T HN -0.033 nan 8.240 nan 0.000 0.480 443 V N 1.602 121.267 119.914 -0.415 0.000 2.465 443 V HA 0.785 4.908 4.120 0.007 0.000 0.279 443 V C 1.034 177.017 176.094 -0.185 0.000 1.045 443 V CA 0.665 62.816 62.300 -0.247 0.000 0.938 443 V CB 0.392 32.061 31.823 -0.257 0.000 0.986 443 V HN 1.241 nan 8.190 nan 0.000 0.467 444 G N 3.337 112.059 108.800 -0.129 0.000 2.341 444 G HA2 0.492 4.456 3.960 0.007 0.000 0.299 444 G HA3 0.492 4.456 3.960 0.007 0.000 0.299 444 G C -1.065 173.785 174.900 -0.083 0.000 1.274 444 G CA -0.423 44.609 45.100 -0.114 0.000 0.853 444 G HN 0.515 nan 8.290 nan 0.000 0.493 445 T N 1.135 115.647 114.554 -0.070 0.000 2.841 445 T HA 0.632 4.986 4.350 0.007 0.000 0.285 445 T C 0.624 175.299 174.700 -0.041 0.000 0.991 445 T CA 0.147 62.216 62.100 -0.052 0.000 0.966 445 T CB 1.234 70.078 68.868 -0.040 0.000 0.962 445 T HN 1.037 nan 8.240 nan 0.000 0.438 446 T N 0.674 115.200 114.554 -0.047 0.000 2.732 446 T HA 0.439 4.793 4.350 0.007 0.000 0.287 446 T C 1.687 176.379 174.700 -0.013 0.000 0.993 446 T CA -0.705 61.373 62.100 -0.038 0.000 0.966 446 T CB 0.375 69.199 68.868 -0.073 0.000 1.047 446 T HN 0.425 nan 8.240 nan 0.000 0.527 447 I N 0.273 120.849 120.570 0.010 0.000 2.179 447 I HA -0.070 4.103 4.170 0.007 0.000 0.242 447 I C 2.426 178.566 176.117 0.038 0.000 1.088 447 I CA 1.070 62.396 61.300 0.044 0.000 1.357 447 I CB -0.462 37.581 38.000 0.073 0.000 1.051 447 I HN 0.535 nan 8.210 nan 0.000 0.409 448 L N 0.990 122.203 121.223 -0.017 0.000 2.046 448 L HA -0.217 4.127 4.340 0.007 0.000 0.208 448 L C 2.265 179.116 176.870 -0.032 0.000 1.077 448 L CA 1.926 56.739 54.840 -0.045 0.000 0.747 448 L CB -0.603 41.309 42.059 -0.245 0.000 0.896 448 L HN 0.198 nan 8.230 nan 0.000 0.432 449 E N -0.383 119.786 120.200 -0.052 0.000 2.150 449 E HA -0.148 4.206 4.350 0.007 0.000 0.193 449 E C 2.180 178.780 176.600 -0.001 0.000 0.985 449 E CA 1.006 57.384 56.400 -0.036 0.000 0.814 449 E CB -0.303 29.369 29.700 -0.048 0.000 0.752 449 E HN 0.673 nan 8.360 nan 0.000 0.466 450 A N 0.809 123.643 122.820 0.023 0.000 1.930 450 A HA -0.107 4.217 4.320 0.007 0.000 0.217 450 A C 2.461 180.100 177.584 0.091 0.000 1.175 450 A CA 0.889 52.958 52.037 0.053 0.000 0.627 450 A CB -0.498 18.544 19.000 0.071 0.000 0.815 450 A HN 0.106 nan 8.150 nan 0.000 0.443 451 V N 0.266 120.257 119.914 0.128 0.000 2.261 451 V HA -0.283 3.841 4.120 0.007 0.000 0.246 451 V C 2.423 178.547 176.094 0.050 0.000 1.047 451 V CA 2.395 64.804 62.300 0.181 0.000 1.015 451 V CB -0.704 31.265 31.823 0.244 0.000 0.642 451 V HN 0.551 nan 8.190 nan 0.000 0.446 452 K N 0.328 120.747 120.400 0.031 0.000 2.152 452 K HA -0.155 4.169 4.320 0.007 0.000 0.206 452 K C 2.143 178.727 176.600 -0.027 0.000 1.048 452 K CA 1.535 57.822 56.287 -0.001 0.000 0.933 452 K CB -0.382 32.117 32.500 -0.002 0.000 0.721 452 K HN 0.502 nan 8.250 nan 0.000 0.447 453 A N 0.729 123.535 122.820 -0.023 0.000 2.067 453 A HA 0.079 4.403 4.320 0.007 0.000 0.217 453 A C 2.145 179.693 177.584 -0.060 0.000 1.156 453 A CA 1.361 53.379 52.037 -0.031 0.000 0.683 453 A CB -0.219 18.773 19.000 -0.014 0.000 0.808 453 A HN 0.301 nan 8.150 nan 0.000 0.455 454 A N -0.267 122.492 122.820 -0.103 0.000 2.044 454 A HA 0.409 4.733 4.320 0.007 0.000 0.213 454 A C 1.175 178.572 177.584 -0.312 0.000 1.169 454 A CA 0.780 52.696 52.037 -0.201 0.000 0.724 454 A CB -0.776 18.067 19.000 -0.262 0.000 0.840 454 A HN 0.830 nan 8.150 nan 0.000 0.463 455 V N -1.476 118.264 119.914 -0.291 0.000 3.036 455 V HA 0.277 4.401 4.120 0.007 0.000 0.308 455 V C 0.169 176.180 176.094 -0.139 0.000 1.070 455 V CA -1.194 60.940 62.300 -0.277 0.000 1.056 455 V CB 0.599 32.309 31.823 -0.188 0.000 1.084 455 V HN 0.364 nan 8.190 nan 0.000 0.471 456 D N 3.226 123.565 120.400 -0.102 0.000 2.472 456 D HA 0.062 4.706 4.640 0.007 0.000 0.237 456 D C -1.401 174.876 176.300 -0.039 0.000 1.141 456 D CA -0.845 53.123 54.000 -0.054 0.000 0.875 456 D CB 1.797 42.579 40.800 -0.030 0.000 1.192 456 D HN 0.505 nan 8.370 nan 0.000 0.450 457 P HA -0.141 nan 4.420 nan 0.000 0.221 457 P C 1.117 178.410 177.300 -0.011 0.000 1.145 457 P CA 0.948 64.037 63.100 -0.019 0.000 0.795 457 P CB 0.041 31.731 31.700 -0.016 0.000 0.775 458 S N -2.366 113.328 115.700 -0.009 0.000 2.527 458 S HA 0.026 4.500 4.470 0.007 0.000 0.222 458 S C 0.954 175.553 174.600 -0.001 0.000 0.985 458 S CA 0.029 58.226 58.200 -0.004 0.000 0.921 458 S CB -1.401 61.798 63.200 -0.003 0.000 0.772 458 S HN 0.022 nan 8.310 nan 0.000 0.529 459 T N 3.155 117.708 114.554 -0.001 0.000 2.853 459 T HA 0.357 4.710 4.350 0.007 0.000 0.298 459 T C -0.163 174.545 174.700 0.012 0.000 0.978 459 T CA -0.198 61.905 62.100 0.006 0.000 1.152 459 T CB 1.034 69.905 68.868 0.005 0.000 0.914 459 T HN 0.101 nan 8.240 nan 0.000 0.539 460 V N 4.801 124.726 119.914 0.020 0.000 2.465 460 V HA 0.290 4.414 4.120 0.007 0.000 0.279 460 V C 0.181 176.317 176.094 0.070 0.000 1.045 460 V CA -0.553 61.770 62.300 0.039 0.000 0.938 460 V CB 1.598 33.441 31.823 0.034 0.000 0.986 460 V HN 0.650 nan 8.190 nan 0.000 0.467 461 V N 6.069 126.035 119.914 0.086 0.000 2.357 461 V HA 0.411 4.535 4.120 0.007 0.000 0.284 461 V C -0.126 176.064 176.094 0.160 0.000 1.018 461 V CA -0.476 61.891 62.300 0.113 0.000 0.841 461 V CB 1.704 33.584 31.823 0.096 0.000 0.991 461 V HN 0.602 nan 8.190 nan 0.000 0.437 462 V N 5.582 125.618 119.914 0.203 0.000 2.483 462 V HA 0.480 4.603 4.120 0.007 0.000 0.295 462 V C -0.526 175.712 176.094 0.240 0.000 1.035 462 V CA -0.628 61.823 62.300 0.250 0.000 0.896 462 V CB 1.773 33.827 31.823 0.386 0.000 0.986 462 V HN 0.697 nan 8.190 nan 0.000 0.447 463 F N 4.180 124.182 119.950 0.088 0.000 2.436 463 F HA 0.810 5.341 4.527 0.007 0.000 0.340 463 F C 0.077 175.896 175.800 0.032 0.000 1.113 463 F CA -0.834 57.194 58.000 0.046 0.000 1.022 463 F CB 1.180 40.200 39.000 0.034 0.000 1.128 463 F HN 0.575 nan 8.300 nan 0.000 0.466 464 A N 5.429 127.733 122.820 -0.861 0.000 2.408 464 A HA 0.363 4.686 4.320 0.007 0.000 0.295 464 A C 0.386 177.407 177.584 -0.938 0.000 1.040 464 A CA -0.456 51.049 52.037 -0.887 0.000 0.707 464 A CB 1.191 19.846 19.000 -0.576 0.000 1.235 464 A HN 0.919 nan 8.150 nan 0.000 0.418 465 E N 1.838 121.526 120.200 -0.853 0.000 2.072 465 E HA -0.065 4.289 4.350 0.007 0.000 0.190 465 E C 0.051 176.528 176.600 -0.204 0.000 0.982 465 E CA 0.878 57.027 56.400 -0.419 0.000 0.803 465 E CB 0.072 29.678 29.700 -0.155 0.000 0.755 465 E HN 0.608 nan 8.360 nan 0.000 0.453 466 N N 1.194 119.759 118.700 -0.224 0.000 2.711 466 N HA 0.183 4.927 4.740 0.007 0.000 0.263 466 N C -2.695 172.706 175.510 -0.181 0.000 1.667 466 N CA -0.867 52.098 53.050 -0.142 0.000 0.785 466 N CB 1.487 39.928 38.487 -0.077 0.000 1.231 466 N HN 0.161 nan 8.380 nan 0.000 0.503 467 P HA 0.121 nan 4.420 nan 0.000 0.272 467 P C -0.448 176.790 177.300 -0.102 0.000 1.223 467 P CA -0.016 62.909 63.100 -0.291 0.000 0.784 467 P CB 1.067 32.617 31.700 -0.251 0.000 0.923 468 D N -0.160 120.207 120.400 -0.054 0.000 2.354 468 D HA 0.335 4.979 4.640 0.007 0.000 0.247 468 D C 1.376 177.743 176.300 0.112 0.000 1.138 468 D CA -0.713 53.306 54.000 0.032 0.000 0.958 468 D CB 0.343 41.162 40.800 0.032 0.000 1.144 468 D HN 0.284 nan 8.370 nan 0.000 0.458 469 A N 0.465 123.337 122.820 0.087 0.000 1.948 469 A HA -0.282 4.042 4.320 0.007 0.000 0.220 469 A C 1.939 179.595 177.584 0.120 0.000 1.177 469 A CA 1.689 53.783 52.037 0.095 0.000 0.636 469 A CB -0.868 18.168 19.000 0.060 0.000 0.815 469 A HN 0.762 nan 8.150 nan 0.000 0.449 470 E N -1.836 118.437 120.200 0.122 0.000 2.158 470 E HA -0.073 4.281 4.350 0.007 0.000 0.191 470 E C 1.685 178.376 176.600 0.151 0.000 0.982 470 E CA 0.827 57.292 56.400 0.108 0.000 0.823 470 E CB -0.193 29.556 29.700 0.083 0.000 0.766 470 E HN 0.732 nan 8.360 nan 0.000 0.468 471 F N 1.150 121.129 119.950 0.049 0.000 2.134 471 F HA -0.236 4.295 4.527 0.006 0.000 0.299 471 F C 1.936 177.831 175.800 0.158 0.000 1.097 471 F CA 1.142 59.189 58.000 0.079 0.000 1.264 471 F CB -0.134 38.904 39.000 0.063 0.000 1.001 471 F HN -0.195 nan 8.300 nan 0.000 0.479 472 V N 1.211 121.332 119.914 0.346 0.000 2.270 472 V HA -0.300 3.823 4.120 0.007 0.000 0.245 472 V C 2.246 178.449 176.094 0.181 0.000 1.043 472 V CA 2.354 64.834 62.300 0.300 0.000 1.014 472 V CB -0.872 31.084 31.823 0.223 0.000 0.645 472 V HN 0.298 nan 8.190 nan 0.000 0.447 473 K N 1.365 121.827 120.400 0.102 0.000 2.283 473 K HA -0.064 4.260 4.320 0.007 0.000 0.202 473 K C 2.026 178.612 176.600 -0.024 0.000 1.048 473 K CA 1.579 57.894 56.287 0.047 0.000 0.948 473 K CB -0.299 32.221 32.500 0.035 0.000 0.742 473 K HN 0.636 nan 8.250 nan 0.000 0.458 474 S N 0.041 115.699 115.700 -0.070 0.000 2.535 474 S HA 0.071 4.545 4.470 0.007 0.000 0.214 474 S C 1.919 176.355 174.600 -0.274 0.000 0.980 474 S CA 0.100 58.219 58.200 -0.136 0.000 0.907 474 S CB 0.376 63.513 63.200 -0.104 0.000 0.790 474 S HN 0.348 nan 8.310 nan 0.000 0.510 475 G N 1.464 110.018 108.800 -0.410 0.000 2.650 475 G HA2 0.366 4.330 3.960 0.007 0.000 0.214 475 G HA3 0.366 4.330 3.960 0.007 0.000 0.214 475 G C 1.116 175.456 174.900 -0.934 0.000 1.136 475 G CA 0.058 44.652 45.100 -0.842 0.000 0.789 475 G HN 1.311 nan 8.290 nan 0.000 0.536 476 G N -0.771 107.686 108.800 -0.571 0.000 2.212 476 G HA2 -0.243 3.721 3.960 0.007 0.000 0.255 476 G HA3 -0.243 3.721 3.960 0.007 0.000 0.255 476 G C 0.010 174.671 174.900 -0.398 0.000 1.062 476 G CA -0.250 44.615 45.100 -0.393 0.000 0.815 476 G HN 0.269 nan 8.290 nan 0.000 0.497 477 F N 0.782 120.679 119.950 -0.089 0.000 2.399 477 F HA 0.453 4.984 4.527 0.007 0.000 0.342 477 F C 1.805 177.557 175.800 -0.080 0.000 1.106 477 F CA 0.037 57.978 58.000 -0.097 0.000 1.196 477 F CB 1.409 40.360 39.000 -0.081 0.000 1.163 477 F HN 0.061 nan 8.300 nan 0.000 0.547 478 S N 1.354 117.088 115.700 0.057 0.000 2.436 478 S HA 0.008 4.482 4.470 0.007 0.000 0.228 478 S C -0.579 174.119 174.600 0.164 0.000 1.014 478 S CA 0.758 59.000 58.200 0.069 0.000 0.950 478 S CB -0.496 62.750 63.200 0.077 0.000 0.784 478 S HN 0.662 nan 8.310 nan 0.000 0.504 479 Y N -1.673 118.714 120.300 0.144 0.000 2.741 479 Y HA 0.754 5.307 4.550 0.006 0.000 0.339 479 Y C -1.298 174.627 175.900 0.041 0.000 1.226 479 Y CA -2.074 56.075 58.100 0.082 0.000 1.072 479 Y CB 0.516 39.013 38.460 0.062 0.000 1.331 479 Y HN 0.012 nan 8.280 nan 0.000 0.453 480 A N 1.508 124.489 122.820 0.268 0.000 2.414 480 A HA 0.829 5.153 4.320 0.007 0.000 0.306 480 A C -1.674 176.013 177.584 0.172 0.000 1.054 480 A CA -0.817 51.286 52.037 0.110 0.000 0.724 480 A CB 1.040 20.030 19.000 -0.017 0.000 1.267 480 A HN 0.704 nan 8.150 nan 0.000 0.418 481 I N 2.037 122.691 120.570 0.141 0.000 2.354 481 I HA 0.474 4.648 4.170 0.007 0.000 0.292 481 I C -0.743 175.417 176.117 0.071 0.000 0.989 481 I CA -0.627 60.730 61.300 0.095 0.000 1.188 481 I CB 1.871 39.939 38.000 0.113 0.000 1.342 481 I HN 0.332 nan 8.210 nan 0.000 0.457 482 V N 5.163 125.104 119.914 0.045 0.000 2.540 482 V HA 0.806 4.930 4.120 0.007 0.000 0.302 482 V C -0.120 175.999 176.094 0.043 0.000 1.035 482 V CA -0.679 61.647 62.300 0.045 0.000 0.873 482 V CB 1.592 33.426 31.823 0.019 0.000 0.992 482 V HN 0.788 nan 8.190 nan 0.000 0.428 483 A N 4.627 127.496 122.820 0.080 0.000 2.335 483 A HA 0.950 5.274 4.320 0.007 0.000 0.304 483 A C -0.568 177.065 177.584 0.082 0.000 1.118 483 A CA -0.474 51.612 52.037 0.081 0.000 0.757 483 A CB 1.570 20.655 19.000 0.142 0.000 1.188 483 A HN 1.558 nan 8.150 nan 0.000 0.460 484 V N -0.253 119.607 119.914 -0.089 0.000 3.165 484 V HA 1.081 5.205 4.120 0.007 0.000 0.309 484 V C 0.248 175.886 176.094 -0.761 0.000 1.267 484 V CA -0.093 62.045 62.300 -0.271 0.000 1.067 484 V CB 1.133 32.894 31.823 -0.104 0.000 1.082 484 V HN 2.383 nan 8.190 nan 0.000 0.451 485 G N -0.015 108.248 108.800 -0.896 0.000 2.373 485 G HA2 0.248 4.212 3.960 0.007 0.000 0.250 485 G HA3 0.248 4.212 3.960 0.007 0.000 0.250 485 G C -1.204 173.528 174.900 -0.281 0.000 1.304 485 G CA -0.375 44.401 45.100 -0.541 0.000 0.948 485 G HN 0.958 nan 8.290 nan 0.000 0.474 486 E N -0.012 120.149 120.200 -0.066 0.000 2.374 486 E HA 0.389 4.743 4.350 0.007 0.000 0.260 486 E C -0.225 176.435 176.600 0.101 0.000 1.101 486 E CA -0.245 56.165 56.400 0.015 0.000 0.907 486 E CB 0.637 30.430 29.700 0.154 0.000 1.014 486 E HN 0.499 nan 8.360 nan 0.000 0.427 487 H N 0.484 119.499 119.070 -0.091 0.000 2.508 487 H HA 0.205 4.765 4.556 0.006 0.000 0.358 487 H C -2.028 173.219 175.328 -0.135 0.000 1.212 487 H CA -2.302 53.563 56.048 -0.305 0.000 1.356 487 H CB 0.637 30.261 29.762 -0.229 0.000 1.525 487 H HN 0.217 nan 8.280 nan 0.000 0.578 488 P HA 0.008 nan 4.420 nan 0.000 0.271 488 P C -1.368 175.836 177.300 -0.160 0.000 1.216 488 P CA 0.427 63.411 63.100 -0.193 0.000 0.771 488 P CB 0.274 31.922 31.700 -0.087 0.000 0.864 489 Y N -1.191 119.012 120.300 -0.161 0.000 2.638 489 Y HA 0.824 5.378 4.550 0.007 0.000 0.335 489 Y C -0.958 174.805 175.900 -0.230 0.000 1.155 489 Y CA -1.104 56.880 58.100 -0.194 0.000 1.046 489 Y CB 0.694 39.077 38.460 -0.127 0.000 1.303 489 Y HN 0.150 nan 8.280 nan 0.000 0.460 490 T N 1.520 115.940 114.554 -0.224 0.000 2.933 490 T HA 0.443 4.797 4.350 0.007 0.000 0.305 490 T C -0.822 173.661 174.700 -0.361 0.000 1.092 490 T CA -0.427 61.420 62.100 -0.421 0.000 1.008 490 T CB 2.272 70.452 68.868 -1.146 0.000 1.102 490 T HN 0.925 nan 8.240 nan 0.000 0.469 491 E N 0.394 120.464 120.200 -0.217 0.000 3.374 491 E HA -0.270 4.084 4.350 0.007 0.000 0.319 491 E C 0.879 177.418 176.600 -0.102 0.000 1.492 491 E CA 1.481 57.809 56.400 -0.120 0.000 1.899 491 E CB -1.245 28.476 29.700 0.034 0.000 1.894 491 E HN 0.680 nan 8.360 nan 0.000 0.484 492 T N 0.890 115.418 114.554 -0.044 0.000 2.995 492 T HA -0.072 4.282 4.350 0.007 0.000 0.269 492 T C 1.466 176.128 174.700 -0.063 0.000 1.091 492 T CA 1.256 63.346 62.100 -0.016 0.000 1.128 492 T CB -0.081 68.796 68.868 0.015 0.000 0.891 492 T HN 0.182 nan 8.240 nan 0.000 0.492 493 K N 0.681 121.013 120.400 -0.112 0.000 2.209 493 K HA -0.012 4.312 4.320 0.007 0.000 0.204 493 K C 2.362 178.884 176.600 -0.130 0.000 1.048 493 K CA 1.040 57.259 56.287 -0.113 0.000 0.940 493 K CB -0.233 32.172 32.500 -0.158 0.000 0.729 493 K HN 0.381 nan 8.250 nan 0.000 0.451 494 G N 0.987 109.697 108.800 -0.150 0.000 2.880 494 G HA2 -0.088 3.875 3.960 0.007 0.000 0.209 494 G HA3 -0.088 3.875 3.960 0.007 0.000 0.209 494 G C -0.016 174.656 174.900 -0.380 0.000 1.157 494 G CA -0.192 44.612 45.100 -0.492 0.000 0.779 494 G HN 0.158 nan 8.290 nan 0.000 0.539 495 D N 1.002 121.306 120.400 -0.161 0.000 2.533 495 D HA 0.122 4.766 4.640 0.007 0.000 0.236 495 D C -0.078 176.150 176.300 -0.120 0.000 1.137 495 D CA 0.644 54.600 54.000 -0.073 0.000 0.867 495 D CB 0.630 41.433 40.800 0.006 0.000 1.170 495 D HN 0.143 nan 8.370 nan 0.000 0.474 496 N N 2.831 121.468 118.700 -0.105 0.000 2.478 496 N HA 0.123 4.867 4.740 0.007 0.000 0.291 496 N C -0.052 175.410 175.510 -0.079 0.000 1.090 496 N CA -0.412 52.569 53.050 -0.116 0.000 0.911 496 N CB 1.137 39.518 38.487 -0.176 0.000 1.546 496 N HN 0.193 nan 8.380 nan 0.000 0.500 497 L N 2.538 123.720 121.223 -0.067 0.000 2.416 497 L HA 0.098 4.442 4.340 0.007 0.000 0.216 497 L C 1.613 178.442 176.870 -0.069 0.000 1.098 497 L CA 0.606 55.407 54.840 -0.065 0.000 0.840 497 L CB -0.053 41.975 42.059 -0.051 0.000 0.981 497 L HN 0.578 nan 8.230 nan 0.000 0.462 498 N N 0.004 118.671 118.700 -0.055 0.000 2.415 498 N HA -0.035 4.709 4.740 0.007 0.000 0.174 498 N C 0.986 176.488 175.510 -0.013 0.000 1.048 498 N CA -0.083 52.945 53.050 -0.036 0.000 0.895 498 N CB -0.028 38.444 38.487 -0.025 0.000 1.036 498 N HN 0.064 nan 8.380 nan 0.000 0.449 499 L N 0.742 121.957 121.223 -0.013 0.000 3.843 499 L HA -0.212 4.132 4.340 0.007 0.000 0.411 499 L C -0.644 176.283 176.870 0.096 0.000 1.205 499 L CA 0.788 55.658 54.840 0.050 0.000 0.945 499 L CB -2.756 39.370 42.059 0.112 0.000 1.929 499 L HN 0.671 nan 8.230 nan 0.000 0.934 500 T N -1.902 112.678 114.554 0.042 0.000 2.888 500 T HA 0.729 5.083 4.350 0.007 0.000 0.284 500 T C 0.279 174.976 174.700 -0.005 0.000 1.017 500 T CA -0.856 61.268 62.100 0.041 0.000 1.022 500 T CB 2.425 71.311 68.868 0.031 0.000 1.013 500 T HN 0.313 nan 8.240 nan 0.000 0.465 501 I N 0.530 121.093 120.570 -0.012 0.000 2.638 501 I HA 0.473 4.647 4.170 0.007 0.000 0.286 501 I C -2.121 173.943 176.117 -0.088 0.000 1.088 501 I CA -2.297 58.964 61.300 -0.065 0.000 1.397 501 I CB 0.043 38.002 38.000 -0.069 0.000 1.414 501 I HN 0.414 nan 8.210 nan 0.000 0.566 502 P HA 0.060 nan 4.420 nan 0.000 0.267 502 P C -0.642 176.618 177.300 -0.067 0.000 1.200 502 P CA 0.153 63.160 63.100 -0.154 0.000 0.772 502 P CB 0.504 31.990 31.700 -0.357 0.000 0.855 503 E N 2.350 122.540 120.200 -0.016 0.000 2.349 503 E HA 0.278 4.631 4.350 0.007 0.000 0.262 503 E C -1.796 174.841 176.600 0.063 0.000 1.088 503 E CA -1.662 54.750 56.400 0.021 0.000 0.899 503 E CB -0.472 29.239 29.700 0.017 0.000 1.044 503 E HN 0.424 nan 8.360 nan 0.000 0.420 504 P HA 0.203 nan 4.420 nan 0.000 0.271 504 P C 0.037 177.376 177.300 0.065 0.000 1.226 504 P CA -0.108 63.027 63.100 0.057 0.000 0.765 504 P CB 1.048 32.780 31.700 0.054 0.000 0.835 505 G N 1.549 110.368 108.800 0.031 0.000 2.652 505 G HA2 -0.039 3.924 3.960 0.007 0.000 0.187 505 G HA3 -0.039 3.924 3.960 0.007 0.000 0.187 505 G C 0.747 175.648 174.900 0.003 0.000 1.219 505 G CA 0.037 45.145 45.100 0.014 0.000 0.667 505 G HN 0.472 nan 8.290 nan 0.000 0.781 506 L N 2.444 123.666 121.223 -0.002 0.000 2.046 506 L HA 0.009 4.353 4.340 0.007 0.000 0.208 506 L C 2.860 179.731 176.870 0.002 0.000 1.077 506 L CA 3.141 57.980 54.840 -0.002 0.000 0.747 506 L CB -0.589 41.470 42.059 -0.000 0.000 0.896 506 L HN 0.358 nan 8.230 nan 0.000 0.432 507 S N -2.824 112.880 115.700 0.007 0.000 2.406 507 S HA -0.129 4.345 4.470 0.007 0.000 0.228 507 S C 1.805 176.409 174.600 0.007 0.000 1.020 507 S CA 1.125 59.330 58.200 0.007 0.000 0.965 507 S CB -1.108 62.097 63.200 0.009 0.000 0.798 507 S HN 0.523 nan 8.310 nan 0.000 0.488 508 T N 2.796 117.355 114.554 0.008 0.000 2.674 508 T HA -0.057 4.297 4.350 0.007 0.000 0.265 508 T C 1.934 176.636 174.700 0.004 0.000 1.039 508 T CA 1.511 63.614 62.100 0.004 0.000 1.150 508 T CB -0.778 68.098 68.868 0.012 0.000 0.864 508 T HN 0.268 nan 8.240 nan 0.000 0.427 509 V N 1.757 121.673 119.914 0.002 0.000 2.252 509 V HA -0.301 3.823 4.120 0.007 0.000 0.249 509 V C 2.701 178.796 176.094 0.001 0.000 1.056 509 V CA 1.902 64.201 62.300 -0.002 0.000 1.022 509 V CB -0.802 31.015 31.823 -0.011 0.000 0.641 509 V HN 0.533 nan 8.190 nan 0.000 0.445 510 Q N -0.425 119.376 119.800 0.002 0.000 2.030 510 Q HA -0.227 4.117 4.340 0.007 0.000 0.204 510 Q C 2.440 178.448 176.000 0.014 0.000 0.986 510 Q CA 1.945 57.752 55.803 0.006 0.000 0.843 510 Q CB -0.492 28.249 28.738 0.005 0.000 0.904 510 Q HN 0.689 nan 8.270 nan 0.000 0.420 511 A N 0.280 123.109 122.820 0.016 0.000 1.883 511 A HA -0.167 4.157 4.320 0.007 0.000 0.217 511 A C 2.341 179.946 177.584 0.036 0.000 1.186 511 A CA 1.634 53.687 52.037 0.027 0.000 0.624 511 A CB -0.785 18.229 19.000 0.023 0.000 0.822 511 A HN 0.229 nan 8.150 nan 0.000 0.444 512 V N -1.150 118.779 119.914 0.024 0.000 2.323 512 V HA -0.255 3.869 4.120 0.007 0.000 0.244 512 V C 2.577 178.690 176.094 0.031 0.000 1.041 512 V CA 1.996 64.311 62.300 0.025 0.000 1.025 512 V CB -0.763 31.061 31.823 0.001 0.000 0.656 512 V HN 0.703 nan 8.190 nan 0.000 0.451 513 c N 0.753 119.366 118.600 0.022 0.000 2.448 513 c HA 0.065 4.639 4.570 0.007 0.000 0.280 513 c C 2.750 176.856 174.090 0.026 0.000 1.398 513 c CA 0.438 56.780 56.329 0.021 0.000 1.774 513 c CB -1.559 40.956 42.510 0.007 0.000 1.888 513 c HN 0.682 nan 8.230 nan 0.000 0.519 514 G N 0.230 109.047 108.800 0.028 0.000 2.534 514 G HA2 0.142 4.106 3.960 0.007 0.000 0.217 514 G HA3 0.142 4.106 3.960 0.007 0.000 0.217 514 G C 1.589 176.513 174.900 0.039 0.000 1.128 514 G CA 1.114 46.231 45.100 0.029 0.000 0.784 514 G HN 0.579 nan 8.290 nan 0.000 0.542 515 G N -1.406 107.427 108.800 0.054 0.000 2.784 515 G HA2 0.399 4.363 3.960 0.007 0.000 0.208 515 G HA3 0.399 4.363 3.960 0.007 0.000 0.208 515 G C -0.256 174.692 174.900 0.080 0.000 1.120 515 G CA 0.747 45.888 45.100 0.069 0.000 0.774 515 G HN 0.487 nan 8.290 nan 0.000 0.528 516 V N 0.495 120.455 119.914 0.078 0.000 3.077 516 V HA 0.475 4.599 4.120 0.007 0.000 0.299 516 V C -0.887 175.256 176.094 0.081 0.000 1.276 516 V CA -1.408 60.949 62.300 0.094 0.000 0.993 516 V CB 2.114 34.019 31.823 0.137 0.000 1.076 516 V HN 0.551 nan 8.190 nan 0.000 0.434 517 R N 4.108 124.662 120.500 0.091 0.000 2.570 517 R HA 0.493 4.837 4.340 0.007 0.000 0.277 517 R C -0.341 176.013 176.300 0.090 0.000 1.039 517 R CA 0.282 56.428 56.100 0.076 0.000 1.065 517 R CB -0.023 30.321 30.300 0.074 0.000 0.964 517 R HN 0.988 nan 8.270 nan 0.000 0.428 518 c N 0.772 119.399 118.600 0.044 0.000 2.609 518 c HA 0.858 5.432 4.570 0.007 0.000 0.313 518 c C -0.122 173.960 174.090 -0.012 0.000 1.175 518 c CA -0.904 55.446 56.329 0.034 0.000 1.434 518 c CB 1.161 43.683 42.510 0.020 0.000 2.005 518 c HN 1.003 nan 8.230 nan 0.000 0.471 519 A N 2.815 125.622 122.820 -0.021 0.000 2.260 519 A HA 0.717 5.041 4.320 0.007 0.000 0.314 519 A C 0.176 177.733 177.584 -0.045 0.000 1.257 519 A CA -0.013 51.986 52.037 -0.063 0.000 0.871 519 A CB 0.255 19.193 19.000 -0.102 0.000 1.166 519 A HN 0.966 nan 8.150 nan 0.000 0.522 520 T N 2.552 117.068 114.554 -0.063 0.000 2.744 520 T HA 0.420 4.774 4.350 0.007 0.000 0.291 520 T C -0.203 174.454 174.700 -0.071 0.000 0.957 520 T CA -0.136 61.930 62.100 -0.056 0.000 1.002 520 T CB 0.853 69.682 68.868 -0.064 0.000 0.919 520 T HN 0.361 nan 8.240 nan 0.000 0.468 521 V N 5.367 125.253 119.914 -0.046 0.000 2.333 521 V HA 0.356 4.480 4.120 0.007 0.000 0.274 521 V C -0.176 175.875 176.094 -0.072 0.000 1.028 521 V CA -0.807 61.463 62.300 -0.050 0.000 0.851 521 V CB 1.091 32.911 31.823 -0.004 0.000 1.000 521 V HN 0.653 nan 8.190 nan 0.000 0.456 522 L N 7.441 128.596 121.223 -0.113 0.000 2.257 522 L HA 0.546 4.890 4.340 0.007 0.000 0.290 522 L C -0.357 176.433 176.870 -0.133 0.000 1.044 522 L CA 0.168 54.931 54.840 -0.130 0.000 0.810 522 L CB 0.845 42.836 42.059 -0.115 0.000 1.193 522 L HN 0.388 nan 8.230 nan 0.000 0.425 523 I N 5.215 125.712 120.570 -0.121 0.000 2.312 523 I HA 0.444 4.618 4.170 0.007 0.000 0.291 523 I C 0.245 176.347 176.117 -0.025 0.000 1.031 523 I CA 0.116 61.396 61.300 -0.035 0.000 1.293 523 I CB 0.326 38.376 38.000 0.083 0.000 1.403 523 I HN 0.832 nan 8.210 nan 0.000 0.484 524 S N 3.140 118.862 115.700 0.036 0.000 2.625 524 S HA 0.639 5.112 4.470 0.007 0.000 0.271 524 S C 0.366 175.087 174.600 0.201 0.000 1.161 524 S CA -0.338 57.919 58.200 0.095 0.000 0.820 524 S CB 1.592 64.836 63.200 0.073 0.000 1.137 524 S HN 0.625 nan 8.310 nan 0.000 0.470 525 G N 0.083 109.010 108.800 0.211 0.000 3.042 525 G HA2 0.463 4.426 3.960 0.007 0.000 0.212 525 G HA3 0.463 4.426 3.960 0.007 0.000 0.212 525 G C 0.339 175.454 174.900 0.357 0.000 1.166 525 G CA -0.265 44.979 45.100 0.240 0.000 0.767 525 G HN 0.984 nan 8.290 nan 0.000 0.546 526 R N -2.109 118.599 120.500 0.347 0.000 2.780 526 R HA 0.331 4.675 4.340 0.007 0.000 0.280 526 R C -3.539 172.793 176.300 0.053 0.000 1.016 526 R CA -1.666 54.581 56.100 0.246 0.000 0.854 526 R CB -0.218 30.183 30.300 0.168 0.000 1.293 526 R HN -0.219 nan 8.270 nan 0.000 0.483 527 P HA 0.094 nan 4.420 nan 0.000 0.268 527 P C -0.466 176.539 177.300 -0.490 0.000 1.205 527 P CA -0.373 62.004 63.100 -1.205 0.000 0.771 527 P CB 0.790 31.485 31.700 -1.675 0.000 0.858 528 V N 0.285 120.014 119.914 -0.309 0.000 3.141 528 V HA 0.480 4.604 4.120 0.007 0.000 0.312 528 V C -0.198 176.037 176.094 0.235 0.000 1.157 528 V CA -1.260 61.117 62.300 0.128 0.000 1.041 528 V CB 1.670 33.572 31.823 0.131 0.000 1.071 528 V HN 0.155 nan 8.190 nan 0.000 0.441 529 V N 1.486 121.584 119.914 0.306 0.000 2.493 529 V HA 0.100 4.224 4.120 0.007 0.000 0.292 529 V C 1.037 177.253 176.094 0.204 0.000 1.016 529 V CA 1.122 63.591 62.300 0.282 0.000 1.097 529 V CB 0.930 32.893 31.823 0.233 0.000 0.947 529 V HN 0.843 nan 8.190 nan 0.000 0.479 530 V N 3.998 124.019 119.914 0.178 0.000 3.604 530 V HA 0.043 4.167 4.120 0.007 0.000 0.277 530 V C 1.742 177.822 176.094 -0.024 0.000 1.399 530 V CA 0.663 63.008 62.300 0.074 0.000 1.034 530 V CB 0.965 32.782 31.823 -0.010 0.000 0.824 530 V HN 0.956 nan 8.190 nan 0.000 0.439 531 Q N 1.264 121.051 119.800 -0.022 0.000 2.050 531 Q HA -0.103 4.241 4.340 0.007 0.000 0.202 531 Q C -0.417 175.559 176.000 -0.040 0.000 0.980 531 Q CA 2.663 58.433 55.803 -0.055 0.000 0.840 531 Q CB -1.174 27.535 28.738 -0.048 0.000 0.898 531 Q HN 0.535 nan 8.270 nan 0.000 0.424 532 P HA -0.134 nan 4.420 nan 0.000 0.217 532 P C 0.915 178.201 177.300 -0.023 0.000 1.150 532 P CA 1.090 64.180 63.100 -0.016 0.000 0.832 532 P CB 0.006 31.705 31.700 -0.003 0.000 0.787 533 L N -1.525 119.682 121.223 -0.027 0.000 2.046 533 L HA -0.159 4.185 4.340 0.007 0.000 0.208 533 L C 2.397 179.232 176.870 -0.057 0.000 1.077 533 L CA 0.950 55.767 54.840 -0.039 0.000 0.747 533 L CB -1.015 41.018 42.059 -0.043 0.000 0.896 533 L HN -0.043 nan 8.230 nan 0.000 0.432 534 L N 0.094 121.275 121.223 -0.070 0.000 2.012 534 L HA -0.179 4.165 4.340 0.007 0.000 0.210 534 L C 2.721 179.557 176.870 -0.056 0.000 1.073 534 L CA 2.146 56.941 54.840 -0.075 0.000 0.748 534 L CB -1.147 40.864 42.059 -0.079 0.000 0.891 534 L HN 0.185 nan 8.230 nan 0.000 0.431 535 A N -1.315 121.477 122.820 -0.047 0.000 1.969 535 A HA -0.042 4.282 4.320 0.007 0.000 0.218 535 A C 2.346 179.913 177.584 -0.029 0.000 1.169 535 A CA 1.553 53.568 52.037 -0.037 0.000 0.635 535 A CB -0.701 18.279 19.000 -0.032 0.000 0.810 535 A HN 0.425 nan 8.150 nan 0.000 0.445 536 A N -0.926 121.877 122.820 -0.028 0.000 2.072 536 A HA 0.313 4.637 4.320 0.007 0.000 0.216 536 A C 1.289 178.860 177.584 -0.022 0.000 1.156 536 A CA 0.705 52.731 52.037 -0.019 0.000 0.701 536 A CB -0.182 18.809 19.000 -0.015 0.000 0.816 536 A HN 0.335 nan 8.150 nan 0.000 0.458 537 S N 0.691 116.370 115.700 -0.035 0.000 2.554 537 S HA 0.234 4.708 4.470 0.007 0.000 0.278 537 S C 0.151 174.726 174.600 -0.042 0.000 1.242 537 S CA -0.598 57.578 58.200 -0.040 0.000 1.051 537 S CB 1.182 64.345 63.200 -0.061 0.000 0.986 537 S HN 0.431 nan 8.310 nan 0.000 0.502 538 D N 1.529 121.906 120.400 -0.038 0.000 2.103 538 D HA 0.045 4.689 4.640 0.007 0.000 0.199 538 D C 0.621 176.878 176.300 -0.071 0.000 0.978 538 D CA 0.865 54.839 54.000 -0.044 0.000 0.829 538 D CB 0.215 40.996 40.800 -0.031 0.000 0.981 538 D HN 0.539 nan 8.370 nan 0.000 0.464 539 A N 0.273 123.039 122.820 -0.089 0.000 2.435 539 A HA 0.659 4.983 4.320 0.007 0.000 0.304 539 A C -1.376 176.123 177.584 -0.140 0.000 1.064 539 A CA -0.521 51.437 52.037 -0.131 0.000 0.727 539 A CB 1.994 20.902 19.000 -0.154 0.000 1.284 539 A HN 0.152 nan 8.150 nan 0.000 0.415 540 L N 2.097 123.208 121.223 -0.185 0.000 2.470 540 L HA 0.714 5.058 4.340 0.007 0.000 0.268 540 L C -1.693 175.023 176.870 -0.257 0.000 0.964 540 L CA -0.486 54.237 54.840 -0.196 0.000 0.839 540 L CB 2.163 44.103 42.059 -0.198 0.000 1.276 540 L HN 0.488 nan 8.230 nan 0.000 0.403 541 V N 4.181 123.963 119.914 -0.219 0.000 2.444 541 V HA 0.653 4.777 4.120 0.007 0.000 0.294 541 V C 0.215 176.176 176.094 -0.223 0.000 1.022 541 V CA -0.551 61.621 62.300 -0.214 0.000 0.850 541 V CB 1.685 33.456 31.823 -0.087 0.000 0.992 541 V HN 0.843 nan 8.190 nan 0.000 0.426 542 A N 3.646 126.283 122.820 -0.305 0.000 2.350 542 A HA 0.677 5.001 4.320 0.007 0.000 0.293 542 A C 1.033 178.275 177.584 -0.569 0.000 1.231 542 A CA 0.340 52.076 52.037 -0.502 0.000 0.883 542 A CB 0.646 19.227 19.000 -0.699 0.000 1.133 542 A HN 1.303 nan 8.150 nan 0.000 0.533 543 A N 2.672 125.242 122.820 -0.417 0.000 2.267 543 A HA 0.455 4.779 4.320 0.007 0.000 0.213 543 A C 0.681 178.223 177.584 -0.070 0.000 1.192 543 A CA 0.392 52.324 52.037 -0.174 0.000 0.851 543 A CB -0.768 18.215 19.000 -0.028 0.000 0.881 543 A HN 1.208 nan 8.150 nan 0.000 0.494 544 W N -1.813 119.552 121.300 0.109 0.000 2.034 544 W HA -0.293 4.371 4.660 0.007 0.000 0.277 544 W C 0.101 176.666 176.519 0.077 0.000 1.199 544 W CA 0.587 57.990 57.345 0.096 0.000 1.148 544 W CB -1.354 28.172 29.460 0.110 0.000 0.887 544 W HN 0.079 nan 8.180 nan 0.000 0.537 545 L N 2.262 123.700 121.223 0.358 0.000 2.457 545 L HA 0.251 4.595 4.340 0.007 0.000 0.252 545 L C -1.546 175.449 176.870 0.208 0.000 1.132 545 L CA -1.554 53.416 54.840 0.217 0.000 0.938 545 L CB 1.127 43.285 42.059 0.165 0.000 1.246 545 L HN 0.007 nan 8.230 nan 0.000 0.476 546 P HA 0.066 nan 4.420 nan 0.000 0.236 546 P C 0.862 178.210 177.300 0.080 0.000 1.177 546 P CA 0.868 64.053 63.100 0.142 0.000 0.773 546 P CB 0.914 32.684 31.700 0.116 0.000 0.878 547 G N 0.700 109.535 108.800 0.057 0.000 2.508 547 G HA2 -0.239 3.725 3.960 0.007 0.000 0.220 547 G HA3 -0.239 3.725 3.960 0.007 0.000 0.220 547 G C 0.913 175.772 174.900 -0.068 0.000 1.287 547 G CA 0.288 45.376 45.100 -0.020 0.000 0.916 547 G HN 0.226 nan 8.290 nan 0.000 0.574 548 S N -0.378 115.231 115.700 -0.152 0.000 2.489 548 S HA 0.185 4.659 4.470 0.007 0.000 0.228 548 S C 0.629 175.159 174.600 -0.116 0.000 0.995 548 S CA 1.683 59.795 58.200 -0.146 0.000 0.934 548 S CB 0.226 63.304 63.200 -0.204 0.000 0.771 548 S HN 0.587 nan 8.310 nan 0.000 0.522 549 E N 1.876 122.008 120.200 -0.112 0.000 2.136 549 E HA 0.382 4.736 4.350 0.007 0.000 0.246 549 E C 0.873 177.449 176.600 -0.040 0.000 1.017 549 E CA -0.235 56.113 56.400 -0.086 0.000 0.883 549 E CB 0.399 30.035 29.700 -0.107 0.000 1.199 549 E HN 0.444 nan 8.360 nan 0.000 0.447 550 G N 1.681 110.467 108.800 -0.025 0.000 2.598 550 G HA2 -0.247 3.717 3.960 0.007 0.000 0.215 550 G HA3 -0.247 3.717 3.960 0.007 0.000 0.215 550 G C 1.180 176.092 174.900 0.020 0.000 1.131 550 G CA 0.165 45.268 45.100 0.005 0.000 0.785 550 G HN 0.349 nan 8.290 nan 0.000 0.539 551 Q N 0.104 119.911 119.800 0.012 0.000 2.437 551 Q HA 0.013 4.357 4.340 0.007 0.000 0.210 551 Q C 2.640 178.656 176.000 0.027 0.000 0.972 551 Q CA 0.607 56.430 55.803 0.033 0.000 0.903 551 Q CB -0.117 28.637 28.738 0.026 0.000 0.967 551 Q HN 0.450 nan 8.270 nan 0.000 0.486 552 G N 0.038 108.837 108.800 -0.002 0.000 2.432 552 G HA2 -0.205 3.759 3.960 0.007 0.000 0.219 552 G HA3 -0.205 3.759 3.960 0.007 0.000 0.219 552 G C 1.410 176.301 174.900 -0.015 0.000 1.135 552 G CA 0.679 45.764 45.100 -0.025 0.000 0.767 552 G HN 0.224 nan 8.290 nan 0.000 0.550 553 V N 1.538 121.462 119.914 0.017 0.000 2.323 553 V HA -0.144 3.980 4.120 0.007 0.000 0.244 553 V C 3.278 179.383 176.094 0.018 0.000 1.041 553 V CA 2.348 64.660 62.300 0.021 0.000 1.025 553 V CB -0.823 31.027 31.823 0.045 0.000 0.656 553 V HN 0.620 nan 8.190 nan 0.000 0.451 554 T N -2.749 111.854 114.554 0.082 0.000 2.951 554 T HA -0.161 4.193 4.350 0.007 0.000 0.268 554 T C 1.496 176.322 174.700 0.211 0.000 1.073 554 T CA 1.158 63.369 62.100 0.184 0.000 1.134 554 T CB -0.415 68.653 68.868 0.334 0.000 0.884 554 T HN 0.366 nan 8.240 nan 0.000 0.479 555 D N 2.413 122.896 120.400 0.139 0.000 2.133 555 D HA -0.098 4.546 4.640 0.007 0.000 0.192 555 D C 2.335 178.692 176.300 0.095 0.000 1.001 555 D CA 1.792 55.896 54.000 0.173 0.000 0.844 555 D CB -0.585 40.321 40.800 0.176 0.000 0.944 555 D HN 0.616 nan 8.370 nan 0.000 0.447 556 A N 0.064 122.811 122.820 -0.122 0.000 1.975 556 A HA 0.032 4.356 4.320 0.007 0.000 0.215 556 A C 2.377 179.771 177.584 -0.316 0.000 1.170 556 A CA 0.339 52.103 52.037 -0.455 0.000 0.656 556 A CB -0.479 17.836 19.000 -1.142 0.000 0.821 556 A HN 0.173 nan 8.150 nan 0.000 0.449 557 L N -2.034 119.085 121.223 -0.172 0.000 2.141 557 L HA -0.078 4.266 4.340 0.007 0.000 0.209 557 L C 1.531 178.197 176.870 -0.340 0.000 1.094 557 L CA 1.106 55.811 54.840 -0.225 0.000 0.763 557 L CB -0.280 41.517 42.059 -0.438 0.000 0.908 557 L HN 0.404 nan 8.230 nan 0.000 0.437 558 F N -0.775 119.180 119.950 0.009 0.000 2.664 558 F HA 0.299 4.830 4.527 0.006 0.000 0.303 558 F C 1.580 177.378 175.800 -0.004 0.000 1.092 558 F CA 0.391 58.395 58.000 0.006 0.000 1.305 558 F CB 0.316 39.331 39.000 0.024 0.000 1.054 558 F HN 0.095 nan 8.300 nan 0.000 0.565 559 G N 0.144 109.003 108.800 0.098 0.000 2.143 559 G HA2 -0.294 3.670 3.960 0.007 0.000 0.249 559 G HA3 -0.294 3.670 3.960 0.007 0.000 0.249 559 G C 0.915 175.817 174.900 0.003 0.000 0.981 559 G CA 0.525 45.653 45.100 0.047 0.000 0.665 559 G HN 0.283 nan 8.290 nan 0.000 0.528 560 D N -0.592 119.814 120.400 0.010 0.000 2.178 560 D HA 0.091 4.735 4.640 0.007 0.000 0.201 560 D C 0.880 176.926 176.300 -0.424 0.000 0.980 560 D CA 1.081 54.977 54.000 -0.173 0.000 0.842 560 D CB 0.034 40.783 40.800 -0.084 0.000 0.948 560 D HN 0.479 nan 8.370 nan 0.000 0.472 561 F N -0.734 119.181 119.950 -0.059 0.000 2.620 561 F HA 0.543 5.074 4.527 0.006 0.000 0.320 561 F C 1.061 176.792 175.800 -0.114 0.000 1.069 561 F CA -1.217 56.739 58.000 -0.074 0.000 0.953 561 F CB 1.661 40.608 39.000 -0.088 0.000 1.322 561 F HN -0.285 nan 8.300 nan 0.000 0.479 562 G N 0.248 109.117 108.800 0.114 0.000 2.476 562 G HA2 0.447 4.411 3.960 0.007 0.000 0.286 562 G HA3 0.447 4.411 3.960 0.007 0.000 0.286 562 G C -1.260 173.649 174.900 0.016 0.000 1.177 562 G CA -0.410 44.732 45.100 0.071 0.000 0.870 562 G HN 0.353 nan 8.290 nan 0.000 0.528 563 F N 0.066 120.039 119.950 0.039 0.000 2.443 563 F HA 0.332 4.863 4.527 0.007 0.000 0.353 563 F C 1.695 177.503 175.800 0.014 0.000 1.101 563 F CA 0.568 58.580 58.000 0.020 0.000 1.226 563 F CB 1.759 40.748 39.000 -0.018 0.000 1.140 563 F HN 0.504 nan 8.300 nan 0.000 0.557 564 T N -1.294 113.374 114.554 0.191 0.000 3.130 564 T HA 0.276 4.630 4.350 0.007 0.000 0.288 564 T C 0.672 175.438 174.700 0.110 0.000 0.936 564 T CA -0.035 62.134 62.100 0.116 0.000 0.897 564 T CB -0.283 68.633 68.868 0.081 0.000 1.178 564 T HN 0.673 nan 8.240 nan 0.000 0.543 565 G N 1.838 110.732 108.800 0.155 0.000 2.527 565 G HA2 0.563 4.527 3.960 0.007 0.000 0.248 565 G HA3 0.563 4.527 3.960 0.007 0.000 0.248 565 G C -0.519 174.465 174.900 0.140 0.000 1.231 565 G CA -0.617 44.583 45.100 0.167 0.000 0.838 565 G HN 0.282 nan 8.290 nan 0.000 0.570 566 R N 0.932 121.520 120.500 0.148 0.000 2.744 566 R HA 0.303 4.647 4.340 0.007 0.000 0.279 566 R C -0.443 175.985 176.300 0.213 0.000 0.977 566 R CA -1.027 55.157 56.100 0.140 0.000 0.906 566 R CB 1.780 32.142 30.300 0.104 0.000 1.197 566 R HN 0.429 nan 8.270 nan 0.000 0.463 567 L N 4.035 125.421 121.223 0.271 0.000 2.540 567 L HA 0.049 4.393 4.340 0.007 0.000 0.276 567 L C -1.127 175.863 176.870 0.201 0.000 1.212 567 L CA -0.663 54.382 54.840 0.343 0.000 0.893 567 L CB 0.439 42.758 42.059 0.433 0.000 1.138 567 L HN 0.331 nan 8.230 nan 0.000 0.491 568 P HA 0.114 nan 4.420 nan 0.000 0.264 568 P C -0.111 177.215 177.300 0.042 0.000 1.259 568 P CA 0.394 63.507 63.100 0.022 0.000 0.841 568 P CB 0.747 32.383 31.700 -0.108 0.000 1.232 569 R N -1.393 119.165 120.500 0.097 0.000 2.855 569 R HA 0.521 4.865 4.340 0.007 0.000 0.266 569 R C -0.396 176.043 176.300 0.233 0.000 1.034 569 R CA -0.646 55.532 56.100 0.130 0.000 0.944 569 R CB 0.746 31.095 30.300 0.081 0.000 1.219 569 R HN -0.275 nan 8.270 nan 0.000 0.474 570 T N 1.286 115.985 114.554 0.241 0.000 2.901 570 T HA 0.059 4.413 4.350 0.007 0.000 0.301 570 T C -0.788 174.073 174.700 0.267 0.000 1.012 570 T CA 0.090 62.367 62.100 0.295 0.000 1.135 570 T CB 0.456 69.516 68.868 0.320 0.000 0.936 570 T HN 0.211 nan 8.240 nan 0.000 0.539 571 W N 6.879 128.256 121.300 0.129 0.000 2.316 571 W HA 0.358 5.022 4.660 0.006 0.000 0.308 571 W C -0.610 175.826 176.519 -0.138 0.000 1.106 571 W CA -2.176 55.158 57.345 -0.018 0.000 1.262 571 W CB 0.110 29.633 29.460 0.106 0.000 1.233 571 W HN 0.649 nan 8.180 nan 0.000 0.447 572 F N 3.320 123.377 119.950 0.177 0.000 2.440 572 F HA 0.298 4.829 4.527 0.006 0.000 0.323 572 F C 1.150 177.029 175.800 0.131 0.000 1.192 572 F CA -0.225 57.821 58.000 0.077 0.000 1.252 572 F CB 0.481 39.490 39.000 0.015 0.000 1.214 572 F HN 0.261 nan 8.300 nan 0.000 0.578 573 K N 0.045 120.594 120.400 0.248 0.000 2.128 573 K HA 0.142 4.466 4.320 0.007 0.000 0.202 573 K C -0.040 176.738 176.600 0.296 0.000 1.050 573 K CA 1.065 57.441 56.287 0.149 0.000 0.966 573 K CB -0.007 32.505 32.500 0.019 0.000 0.759 573 K HN 0.787 nan 8.250 nan 0.000 0.454 574 S N -0.815 115.090 115.700 0.341 0.000 2.579 574 S HA 0.181 4.655 4.470 0.007 0.000 0.272 574 S C 0.733 175.326 174.600 -0.011 0.000 1.141 574 S CA -0.723 57.616 58.200 0.232 0.000 0.843 574 S CB 1.609 64.866 63.200 0.095 0.000 1.122 574 S HN -0.052 nan 8.310 nan 0.000 0.468 575 V N -1.570 118.251 119.914 -0.155 0.000 2.913 575 V HA -0.037 4.086 4.120 0.007 0.000 0.260 575 V C 1.174 177.160 176.094 -0.181 0.000 1.098 575 V CA 1.890 63.976 62.300 -0.356 0.000 1.121 575 V CB -1.555 30.096 31.823 -0.286 0.000 0.714 575 V HN 0.871 nan 8.190 nan 0.000 0.487 576 D N 0.627 120.980 120.400 -0.078 0.000 2.350 576 D HA -0.141 4.503 4.640 0.007 0.000 0.216 576 D C 1.957 178.258 176.300 0.001 0.000 0.968 576 D CA 0.821 54.799 54.000 -0.036 0.000 0.894 576 D CB -0.441 40.354 40.800 -0.009 0.000 0.909 576 D HN 0.586 nan 8.370 nan 0.000 0.520 577 Q N 0.093 119.897 119.800 0.006 0.000 2.436 577 Q HA 0.078 4.421 4.340 0.007 0.000 0.209 577 Q C 0.299 176.377 176.000 0.130 0.000 0.965 577 Q CA 0.344 56.202 55.803 0.091 0.000 0.910 577 Q CB 0.215 28.980 28.738 0.045 0.000 0.980 577 Q HN 0.411 nan 8.270 nan 0.000 0.491 578 L N 2.559 123.784 121.223 0.003 0.000 2.357 578 L HA 0.350 4.694 4.340 0.007 0.000 0.273 578 L C -1.965 174.931 176.870 0.045 0.000 1.080 578 L CA -2.152 52.691 54.840 0.006 0.000 0.803 578 L CB 0.505 42.479 42.059 -0.142 0.000 1.174 578 L HN -0.044 nan 8.230 nan 0.000 0.443 579 P HA 0.267 nan 4.420 nan 0.000 0.282 579 P C -1.202 176.233 177.300 0.226 0.000 1.249 579 P CA -0.533 62.630 63.100 0.105 0.000 0.806 579 P CB 1.735 33.485 31.700 0.084 0.000 0.984 580 M N 2.692 122.393 119.600 0.169 0.000 2.149 580 M HA 0.334 4.818 4.480 0.007 0.000 0.273 580 M C -1.842 174.591 176.300 0.221 0.000 0.972 580 M CA -0.313 55.072 55.300 0.142 0.000 0.984 580 M CB 1.200 33.720 32.600 -0.134 0.000 1.699 580 M HN 0.248 nan 8.290 nan 0.000 0.462 581 N N 1.951 120.798 118.700 0.246 0.000 2.265 581 N HA 0.590 5.334 4.740 0.007 0.000 0.300 581 N C -1.023 174.509 175.510 0.038 0.000 1.148 581 N CA -0.695 52.473 53.050 0.196 0.000 0.772 581 N CB 2.314 40.860 38.487 0.098 0.000 1.434 581 N HN 0.434 nan 8.380 nan 0.000 0.481 582 V N 0.445 120.286 119.914 -0.121 0.000 2.780 582 V HA 0.177 4.301 4.120 0.007 0.000 0.301 582 V C 1.519 177.409 176.094 -0.340 0.000 1.168 582 V CA 1.082 63.072 62.300 -0.516 0.000 1.305 582 V CB -0.731 30.940 31.823 -0.254 0.000 0.858 582 V HN 1.072 nan 8.190 nan 0.000 0.502 583 G N 2.542 111.097 108.800 -0.409 0.000 2.284 583 G HA2 -0.186 3.778 3.960 0.007 0.000 0.216 583 G HA3 -0.186 3.778 3.960 0.007 0.000 0.216 583 G C -0.026 174.829 174.900 -0.073 0.000 1.009 583 G CA 0.079 45.075 45.100 -0.173 0.000 0.625 583 G HN 0.761 nan 8.290 nan 0.000 0.501 584 D N 0.450 120.839 120.400 -0.017 0.000 2.354 584 D HA 0.571 5.215 4.640 0.007 0.000 0.238 584 D C 1.660 178.065 176.300 0.175 0.000 1.250 584 D CA 0.624 54.712 54.000 0.146 0.000 0.911 584 D CB 0.668 41.651 40.800 0.305 0.000 1.163 584 D HN 0.478 nan 8.370 nan 0.000 0.456 585 A N 0.544 123.497 122.820 0.222 0.000 1.872 585 A HA -0.144 4.179 4.320 0.007 0.000 0.214 585 A C 1.388 179.125 177.584 0.255 0.000 1.187 585 A CA 1.434 53.582 52.037 0.186 0.000 0.614 585 A CB -0.971 18.105 19.000 0.126 0.000 0.826 585 A HN 0.803 nan 8.150 nan 0.000 0.442 586 H N -4.113 115.016 119.070 0.099 0.000 2.607 586 H HA 0.250 4.810 4.556 0.006 0.000 0.288 586 H C -0.073 175.326 175.328 0.118 0.000 1.058 586 H CA -0.592 55.508 56.048 0.086 0.000 1.178 586 H CB -0.641 29.153 29.762 0.054 0.000 1.340 586 H HN 0.373 nan 8.280 nan 0.000 0.591 587 Y N 2.524 122.773 120.300 -0.085 0.000 2.828 587 Y HA -0.018 4.535 4.550 0.007 0.000 0.359 587 Y C -0.335 175.517 175.900 -0.079 0.000 1.258 587 Y CA -0.226 57.796 58.100 -0.131 0.000 1.652 587 Y CB -0.134 38.302 38.460 -0.040 0.000 1.232 587 Y HN 0.464 nan 8.280 nan 0.000 0.513 588 D N 8.049 128.195 120.400 -0.423 0.000 2.468 588 D HA 0.275 4.918 4.640 0.007 0.000 0.272 588 D C -3.100 172.981 176.300 -0.365 0.000 1.221 588 D CA -1.816 52.001 54.000 -0.305 0.000 0.860 588 D CB 1.059 41.772 40.800 -0.145 0.000 1.190 588 D HN 0.183 nan 8.370 nan 0.000 0.509 589 P HA 0.152 nan 4.420 nan 0.000 0.285 589 P C 0.702 177.836 177.300 -0.276 0.000 1.269 589 P CA -0.752 62.130 63.100 -0.363 0.000 0.844 589 P CB 2.092 33.530 31.700 -0.436 0.000 1.094 590 L N 1.368 122.431 121.223 -0.266 0.000 2.072 590 L HA 0.180 4.524 4.340 0.007 0.000 0.205 590 L C 0.106 176.441 176.870 -0.892 0.000 1.079 590 L CA 1.929 56.431 54.840 -0.563 0.000 0.752 590 L CB -0.544 41.191 42.059 -0.539 0.000 0.906 590 L HN 0.253 nan 8.230 nan 0.000 0.436 591 F N -0.618 119.229 119.950 -0.170 0.000 2.561 591 F HA 0.487 5.018 4.527 0.007 0.000 0.313 591 F C 0.261 176.055 175.800 -0.010 0.000 1.126 591 F CA -1.016 56.825 58.000 -0.266 0.000 0.918 591 F CB 1.029 39.755 39.000 -0.457 0.000 1.199 591 F HN -0.345 nan 8.300 nan 0.000 0.444 592 R N 1.562 122.192 120.500 0.217 0.000 2.543 592 R HA 0.313 4.657 4.340 0.007 0.000 0.277 592 R C -0.395 176.120 176.300 0.358 0.000 1.074 592 R CA -0.943 55.343 56.100 0.310 0.000 1.076 592 R CB 0.738 31.220 30.300 0.302 0.000 0.993 592 R HN 0.664 nan 8.270 nan 0.000 0.459 593 L N 2.231 123.663 121.223 0.350 0.000 2.769 593 L HA -0.193 4.151 4.340 0.007 0.000 0.293 593 L C 1.178 178.194 176.870 0.244 0.000 1.224 593 L CA 2.364 57.365 54.840 0.269 0.000 0.906 593 L CB 0.133 42.308 42.059 0.193 0.000 1.193 593 L HN 0.978 nan 8.230 nan 0.000 0.488 594 G N 2.314 111.251 108.800 0.228 0.000 2.213 594 G HA2 -0.345 3.619 3.960 0.007 0.000 0.236 594 G HA3 -0.345 3.619 3.960 0.007 0.000 0.236 594 G C 0.056 175.078 174.900 0.203 0.000 0.991 594 G CA 0.115 45.323 45.100 0.180 0.000 0.629 594 G HN 0.936 nan 8.290 nan 0.000 0.517 595 Y N 1.899 122.279 120.300 0.134 0.000 2.425 595 Y HA 0.456 5.010 4.550 0.007 0.000 0.331 595 Y C 0.641 176.571 175.900 0.050 0.000 1.157 595 Y CA 0.969 59.127 58.100 0.097 0.000 1.372 595 Y CB 1.048 39.596 38.460 0.146 0.000 1.253 595 Y HN 0.705 nan 8.280 nan 0.000 0.536 596 G N 6.152 114.622 108.800 -0.550 0.000 2.733 596 G HA2 0.407 4.370 3.960 0.007 0.000 0.297 596 G HA3 0.407 4.370 3.960 0.007 0.000 0.297 596 G C -1.935 172.618 174.900 -0.579 0.000 1.452 596 G CA -1.072 43.708 45.100 -0.534 0.000 0.940 596 G HN 0.794 nan 8.290 nan 0.000 0.547 597 L N 1.024 121.931 121.223 -0.526 0.000 2.453 597 L HA 0.628 4.972 4.340 0.007 0.000 0.261 597 L C 1.282 178.041 176.870 -0.184 0.000 1.179 597 L CA -0.591 54.053 54.840 -0.326 0.000 0.813 597 L CB 1.257 43.142 42.059 -0.290 0.000 1.110 597 L HN 0.735 nan 8.230 nan 0.000 0.466 598 T N -2.128 112.370 114.554 -0.092 0.000 2.940 598 T HA 0.767 5.121 4.350 0.007 0.000 0.288 598 T C -0.229 174.502 174.700 0.052 0.000 1.045 598 T CA -0.557 61.556 62.100 0.021 0.000 1.018 598 T CB 2.062 70.944 68.868 0.025 0.000 1.151 598 T HN 0.764 nan 8.240 nan 0.000 0.529 599 T N -0.865 113.781 114.554 0.154 0.000 2.838 599 T HA 0.635 4.989 4.350 0.007 0.000 0.292 599 T C -0.933 173.829 174.700 0.103 0.000 1.113 599 T CA -1.091 61.089 62.100 0.134 0.000 1.008 599 T CB 1.013 70.021 68.868 0.233 0.000 1.259 599 T HN 0.718 nan 8.240 nan 0.000 0.520 600 N N -0.238 118.503 118.700 0.068 0.000 2.370 600 N HA 0.642 5.386 4.740 0.007 0.000 0.303 600 N C -0.282 175.248 175.510 0.033 0.000 1.103 600 N CA -0.858 52.220 53.050 0.046 0.000 0.848 600 N CB 1.455 39.958 38.487 0.027 0.000 1.235 600 N HN 1.021 nan 8.380 nan 0.000 0.496 601 A N 0.663 123.488 122.820 0.008 0.000 2.561 601 A HA 0.155 4.479 4.320 0.007 0.000 0.234 601 A C 0.930 178.499 177.584 -0.026 0.000 1.055 601 A CA 0.026 52.043 52.037 -0.034 0.000 0.756 601 A CB -0.364 18.574 19.000 -0.103 0.000 0.986 601 A HN 0.697 nan 8.150 nan 0.000 0.505 602 T N 0.000 114.540 114.554 -0.024 0.000 3.816 602 T HA 0.000 4.354 4.350 0.007 0.000 0.228 602 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 602 T CB 0.000 68.869 68.868 0.002 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658