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 1j8v_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 0.000 176.346 176.300 0.077 0.000 2.045 1 D CA 0.000 54.035 54.000 0.058 0.000 0.868 1 D CB 0.000 40.838 40.800 0.063 0.000 0.688 2 Y N 0.762 121.046 120.300 -0.025 0.000 2.717 2 Y HA 0.390 4.943 4.550 0.004 0.000 0.330 2 Y C -0.444 175.423 175.900 -0.054 0.000 1.217 2 Y CA -0.035 58.041 58.100 -0.039 0.000 1.506 2 Y CB 0.534 38.974 38.460 -0.034 0.000 1.268 2 Y HN 0.241 nan 8.280 nan 0.000 0.561 3 V N 9.568 129.096 119.914 -0.644 0.000 2.294 3 V HA 0.018 4.141 4.120 0.004 0.000 0.272 3 V C 1.099 176.569 176.094 -1.041 0.000 1.027 3 V CA -0.674 61.209 62.300 -0.694 0.000 0.823 3 V CB 0.718 32.238 31.823 -0.505 0.000 1.030 3 V HN 0.944 nan 8.190 nan 0.000 0.457 4 L N 5.694 126.325 121.223 -0.986 0.000 1.997 4 L HA -0.192 4.151 4.340 0.004 0.000 0.216 4 L C 2.474 179.136 176.870 -0.346 0.000 1.074 4 L CA 2.831 57.280 54.840 -0.652 0.000 0.763 4 L CB -0.773 41.137 42.059 -0.248 0.000 0.890 4 L HN 0.890 nan 8.230 nan 0.000 0.434 5 Y N 0.119 120.259 120.300 -0.267 0.000 2.384 5 Y HA -0.166 4.387 4.550 0.005 0.000 0.289 5 Y C 2.174 178.004 175.900 -0.117 0.000 1.152 5 Y CA 1.311 59.272 58.100 -0.231 0.000 1.258 5 Y CB -0.907 37.494 38.460 -0.098 0.000 0.979 5 Y HN 0.158 nan 8.280 nan 0.000 0.549 6 K N 0.120 120.250 120.400 -0.451 0.000 2.400 6 K HA -0.040 4.283 4.320 0.004 0.000 0.194 6 K C 0.078 176.643 176.600 -0.059 0.000 1.033 6 K CA 0.439 56.599 56.287 -0.213 0.000 1.021 6 K CB 0.028 32.316 32.500 -0.354 0.000 0.808 6 K HN 0.188 nan 8.250 nan 0.000 0.505 7 D N 0.918 121.264 120.400 -0.091 0.000 2.344 7 D HA 0.078 4.721 4.640 0.004 0.000 0.253 7 D C 0.698 177.014 176.300 0.028 0.000 1.255 7 D CA -0.114 53.901 54.000 0.025 0.000 0.894 7 D CB 1.234 42.109 40.800 0.126 0.000 1.067 7 D HN 0.137 nan 8.370 nan 0.000 0.492 8 A N 3.010 125.866 122.820 0.061 0.000 2.070 8 A HA -0.131 4.192 4.320 0.004 0.000 0.220 8 A C 1.829 179.439 177.584 0.043 0.000 1.159 8 A CA 1.637 53.715 52.037 0.068 0.000 0.656 8 A CB -0.483 18.572 19.000 0.091 0.000 0.800 8 A HN 0.616 nan 8.150 nan 0.000 0.453 9 T N -2.794 111.784 114.554 0.039 0.000 3.219 9 T HA 0.206 4.559 4.350 0.004 0.000 0.249 9 T C 0.446 175.154 174.700 0.013 0.000 1.099 9 T CA -0.166 61.950 62.100 0.028 0.000 0.988 9 T CB -0.138 68.747 68.868 0.028 0.000 0.999 9 T HN 0.095 nan 8.240 nan 0.000 0.550 10 K N 2.082 122.478 120.400 -0.006 0.000 2.156 10 K HA 0.519 4.842 4.320 0.004 0.000 0.250 10 K C -2.885 173.669 176.600 -0.077 0.000 0.955 10 K CA -2.568 53.698 56.287 -0.034 0.000 0.855 10 K CB 1.377 33.853 32.500 -0.040 0.000 1.101 10 K HN 0.040 nan 8.250 nan 0.000 0.434 11 P HA -0.006 nan 4.420 nan 0.000 0.267 11 P C 1.079 178.283 177.300 -0.160 0.000 1.200 11 P CA -0.170 62.882 63.100 -0.081 0.000 0.772 11 P CB 0.585 32.251 31.700 -0.058 0.000 0.855 12 V N 2.385 122.220 119.914 -0.132 0.000 2.252 12 V HA -0.265 3.857 4.120 0.004 0.000 0.249 12 V C 2.184 178.140 176.094 -0.230 0.000 1.056 12 V CA 1.899 64.085 62.300 -0.189 0.000 1.022 12 V CB -0.872 30.934 31.823 -0.028 0.000 0.641 12 V HN 0.618 nan 8.190 nan 0.000 0.445 13 E N -0.044 120.079 120.200 -0.129 0.000 2.085 13 E HA -0.225 4.128 4.350 0.004 0.000 0.194 13 E C 2.003 178.517 176.600 -0.144 0.000 0.994 13 E CA 1.495 57.828 56.400 -0.111 0.000 0.801 13 E CB -0.539 29.118 29.700 -0.071 0.000 0.743 13 E HN 0.649 nan 8.360 nan 0.000 0.453 14 D N 0.442 120.750 120.400 -0.153 0.000 2.117 14 D HA -0.113 4.529 4.640 0.004 0.000 0.197 14 D C 2.100 178.272 176.300 -0.213 0.000 0.987 14 D CA 0.803 54.718 54.000 -0.142 0.000 0.829 14 D CB -0.178 40.558 40.800 -0.106 0.000 0.961 14 D HN 0.175 nan 8.370 nan 0.000 0.460 15 R N 0.548 120.818 120.500 -0.384 0.000 2.081 15 R HA -0.060 4.282 4.340 0.004 0.000 0.235 15 R C 2.528 178.498 176.300 -0.550 0.000 1.131 15 R CA 0.597 56.324 56.100 -0.622 0.000 0.960 15 R CB -0.491 29.034 30.300 -1.292 0.000 0.856 15 R HN 0.048 nan 8.270 nan 0.000 0.436 16 V N 1.349 120.986 119.914 -0.461 0.000 2.255 16 V HA -0.295 3.827 4.120 0.004 0.000 0.247 16 V C 2.518 178.570 176.094 -0.071 0.000 1.051 16 V CA 2.118 64.358 62.300 -0.101 0.000 1.018 16 V CB -0.835 30.977 31.823 -0.017 0.000 0.641 16 V HN 0.443 nan 8.190 nan 0.000 0.445 17 A N -0.200 122.565 122.820 -0.092 0.000 1.908 17 A HA -0.339 3.984 4.320 0.004 0.000 0.218 17 A C 2.031 179.585 177.584 -0.051 0.000 1.181 17 A CA 2.450 54.450 52.037 -0.062 0.000 0.627 17 A CB -0.799 18.165 19.000 -0.060 0.000 0.818 17 A HN 0.632 nan 8.150 nan 0.000 0.445 18 D N -0.900 119.465 120.400 -0.058 0.000 2.097 18 D HA -0.140 4.503 4.640 0.004 0.000 0.195 18 D C 1.806 178.117 176.300 0.018 0.000 0.989 18 D CA 1.384 55.378 54.000 -0.010 0.000 0.827 18 D CB -0.152 40.648 40.800 -0.000 0.000 0.966 18 D HN 0.261 nan 8.370 nan 0.000 0.456 19 L N 0.115 121.315 121.223 -0.038 0.000 2.027 19 L HA -0.019 4.323 4.340 0.004 0.000 0.206 19 L C 2.089 178.866 176.870 -0.154 0.000 1.074 19 L CA 1.393 56.087 54.840 -0.242 0.000 0.745 19 L CB -1.034 40.782 42.059 -0.405 0.000 0.898 19 L HN 0.217 nan 8.230 nan 0.000 0.433 20 L N 0.373 121.545 121.223 -0.087 0.000 1.990 20 L HA -0.089 4.254 4.340 0.004 0.000 0.213 20 L C 2.310 179.144 176.870 -0.061 0.000 1.072 20 L CA 2.254 57.054 54.840 -0.068 0.000 0.755 20 L CB -1.591 40.442 42.059 -0.043 0.000 0.889 20 L HN 0.343 nan 8.230 nan 0.000 0.432 21 G N -1.229 107.545 108.800 -0.043 0.000 2.564 21 G HA2 -0.221 3.741 3.960 0.004 0.000 0.216 21 G HA3 -0.221 3.741 3.960 0.004 0.000 0.216 21 G C 1.574 176.458 174.900 -0.027 0.000 1.124 21 G CA 0.776 45.857 45.100 -0.031 0.000 0.764 21 G HN 0.509 nan 8.290 nan 0.000 0.550 22 R N -1.174 119.305 120.500 -0.036 0.000 2.307 22 R HA 0.314 4.657 4.340 0.004 0.000 0.200 22 R C 0.740 177.003 176.300 -0.061 0.000 0.893 22 R CA -0.265 55.820 56.100 -0.025 0.000 1.042 22 R CB 0.261 30.574 30.300 0.021 0.000 1.059 22 R HN 0.324 nan 8.270 nan 0.000 0.530 23 M N 1.626 121.171 119.600 -0.092 0.000 2.238 23 M HA 0.085 4.568 4.480 0.004 0.000 0.347 23 M C 0.616 176.840 176.300 -0.127 0.000 1.173 23 M CA 0.159 55.381 55.300 -0.131 0.000 1.147 23 M CB 1.088 33.605 32.600 -0.139 0.000 1.547 23 M HN 0.022 nan 8.290 nan 0.000 0.455 24 T N -0.570 113.878 114.554 -0.176 0.000 2.881 24 T HA 0.286 4.638 4.350 0.004 0.000 0.278 24 T C 0.788 175.398 174.700 -0.150 0.000 0.982 24 T CA -1.031 60.978 62.100 -0.152 0.000 0.989 24 T CB 1.083 69.844 68.868 -0.178 0.000 1.058 24 T HN 0.626 nan 8.240 nan 0.000 0.529 25 L N 1.689 122.850 121.223 -0.103 0.000 2.013 25 L HA 0.004 4.347 4.340 0.004 0.000 0.212 25 L C 2.792 179.606 176.870 -0.093 0.000 1.073 25 L CA 2.596 57.387 54.840 -0.082 0.000 0.753 25 L CB -1.582 40.444 42.059 -0.055 0.000 0.890 25 L HN 0.946 nan 8.230 nan 0.000 0.432 26 A N -1.001 121.757 122.820 -0.103 0.000 1.940 26 A HA -0.253 4.069 4.320 0.004 0.000 0.219 26 A C 2.161 179.662 177.584 -0.138 0.000 1.176 26 A CA 2.006 54.009 52.037 -0.058 0.000 0.631 26 A CB -0.630 18.381 19.000 0.018 0.000 0.814 26 A HN 0.664 nan 8.150 nan 0.000 0.446 27 E N -0.379 119.587 120.200 -0.390 0.000 2.158 27 E HA -0.117 4.236 4.350 0.004 0.000 0.191 27 E C 2.022 178.526 176.600 -0.160 0.000 0.982 27 E CA 1.027 57.176 56.400 -0.419 0.000 0.823 27 E CB -0.069 29.300 29.700 -0.552 0.000 0.766 27 E HN 0.607 nan 8.360 nan 0.000 0.468 28 K N 0.704 121.026 120.400 -0.130 0.000 2.001 28 K HA -0.060 4.262 4.320 0.004 0.000 0.208 28 K C 2.164 178.743 176.600 -0.036 0.000 1.048 28 K CA 0.996 57.237 56.287 -0.078 0.000 0.932 28 K CB -0.108 32.350 32.500 -0.071 0.000 0.715 28 K HN 0.094 nan 8.250 nan 0.000 0.437 29 I N 1.092 121.647 120.570 -0.026 0.000 2.361 29 I HA -0.188 3.985 4.170 0.004 0.000 0.251 29 I C 2.434 178.593 176.117 0.070 0.000 1.133 29 I CA 1.192 62.496 61.300 0.006 0.000 1.413 29 I CB -0.600 37.375 38.000 -0.041 0.000 1.073 29 I HN 0.325 nan 8.210 nan 0.000 0.424 30 G N -0.079 108.766 108.800 0.074 0.000 2.432 30 G HA2 -0.215 3.748 3.960 0.004 0.000 0.219 30 G HA3 -0.215 3.748 3.960 0.004 0.000 0.219 30 G C 1.574 176.509 174.900 0.057 0.000 1.135 30 G CA 0.257 45.426 45.100 0.115 0.000 0.767 30 G HN 0.276 nan 8.290 nan 0.000 0.550 31 Q N -0.174 119.633 119.800 0.010 0.000 2.224 31 Q HA 0.106 4.448 4.340 0.004 0.000 0.203 31 Q C 2.457 178.417 176.000 -0.066 0.000 0.970 31 Q CA 0.743 56.516 55.803 -0.050 0.000 0.865 31 Q CB -0.196 28.495 28.738 -0.078 0.000 0.922 31 Q HN 0.549 nan 8.270 nan 0.000 0.445 32 M N 0.001 119.606 119.600 0.008 0.000 2.618 32 M HA 0.010 4.493 4.480 0.004 0.000 0.240 32 M C 0.008 176.363 176.300 0.091 0.000 1.123 32 M CA 0.432 55.757 55.300 0.042 0.000 1.060 32 M CB 0.297 32.978 32.600 0.135 0.000 1.535 32 M HN -0.202 nan 8.290 nan 0.000 0.507 33 T N 1.190 115.801 114.554 0.095 0.000 2.767 33 T HA 0.318 4.671 4.350 0.004 0.000 0.284 33 T C -0.491 174.172 174.700 -0.062 0.000 0.973 33 T CA -0.541 61.594 62.100 0.059 0.000 0.996 33 T CB 1.695 70.682 68.868 0.198 0.000 0.927 33 T HN 0.200 nan 8.240 nan 0.000 0.456 34 Q N 3.795 123.520 119.800 -0.126 0.000 2.325 34 Q HA 0.643 4.986 4.340 0.004 0.000 0.270 34 Q C -0.936 174.969 176.000 -0.157 0.000 1.020 34 Q CA -0.803 54.928 55.803 -0.119 0.000 0.785 34 Q CB 0.905 29.604 28.738 -0.065 0.000 1.259 34 Q HN 0.829 nan 8.270 nan 0.000 0.452 35 I N -0.623 119.844 120.570 -0.171 0.000 2.797 35 I HA 0.600 4.773 4.170 0.004 0.000 0.307 35 I C -0.250 175.747 176.117 -0.201 0.000 1.033 35 I CA -1.046 60.153 61.300 -0.168 0.000 1.071 35 I CB 2.014 39.934 38.000 -0.133 0.000 1.255 35 I HN 0.443 nan 8.210 nan 0.000 0.445 36 E N 2.884 122.985 120.200 -0.165 0.000 2.366 36 E HA 0.100 4.453 4.350 0.004 0.000 0.266 36 E C 0.831 177.365 176.600 -0.110 0.000 1.051 36 E CA -0.147 56.197 56.400 -0.094 0.000 0.884 36 E CB 1.515 31.205 29.700 -0.017 0.000 1.006 36 E HN 0.764 nan 8.360 nan 0.000 0.417 37 R N 3.078 123.535 120.500 -0.072 0.000 2.120 37 R HA -0.133 4.210 4.340 0.004 0.000 0.234 37 R C 2.079 178.395 176.300 0.026 0.000 1.123 37 R CA 1.121 57.161 56.100 -0.099 0.000 0.975 37 R CB -0.488 29.936 30.300 0.208 0.000 0.866 37 R HN 0.404 nan 8.270 nan 0.000 0.446 38 L N 1.690 122.962 121.223 0.081 0.000 2.127 38 L HA -0.107 4.235 4.340 0.004 0.000 0.211 38 L C 2.108 179.021 176.870 0.071 0.000 1.089 38 L CA 1.105 56.002 54.840 0.094 0.000 0.757 38 L CB -0.260 41.862 42.059 0.105 0.000 0.899 38 L HN 0.284 nan 8.230 nan 0.000 0.434 39 V N -3.957 115.985 119.914 0.047 0.000 3.376 39 V HA 0.503 4.625 4.120 0.004 0.000 0.313 39 V C 0.683 176.818 176.094 0.067 0.000 1.393 39 V CA -0.228 62.123 62.300 0.085 0.000 1.125 39 V CB -0.414 31.490 31.823 0.134 0.000 1.037 39 V HN 0.135 nan 8.190 nan 0.000 0.440 40 A N 0.208 123.002 122.820 -0.042 0.000 2.306 40 A HA 0.841 5.163 4.320 0.004 0.000 0.314 40 A C 0.128 177.727 177.584 0.025 0.000 1.164 40 A CA -0.165 51.788 52.037 -0.141 0.000 0.822 40 A CB 1.128 19.842 19.000 -0.476 0.000 1.130 40 A HN 0.460 nan 8.150 nan 0.000 0.496 41 T N 2.656 117.219 114.554 0.015 0.000 2.883 41 T HA 0.480 4.833 4.350 0.004 0.000 0.301 41 T C -2.222 172.519 174.700 0.068 0.000 1.158 41 T CA -0.803 61.350 62.100 0.088 0.000 1.007 41 T CB 1.969 70.867 68.868 0.049 0.000 1.186 41 T HN 0.314 nan 8.240 nan 0.000 0.499 42 P HA -0.092 nan 4.420 nan 0.000 0.215 42 P C 1.018 178.314 177.300 -0.006 0.000 1.153 42 P CA 1.055 64.191 63.100 0.060 0.000 0.853 42 P CB 0.220 31.951 31.700 0.052 0.000 0.788 43 D N -0.801 119.591 120.400 -0.014 0.000 2.084 43 D HA -0.112 4.530 4.640 0.004 0.000 0.194 43 D C 2.072 178.316 176.300 -0.093 0.000 0.990 43 D CA 1.178 55.150 54.000 -0.046 0.000 0.826 43 D CB -0.807 39.978 40.800 -0.024 0.000 0.971 43 D HN -0.051 nan 8.370 nan 0.000 0.453 44 V N 1.500 121.361 119.914 -0.088 0.000 2.282 44 V HA -0.252 3.871 4.120 0.004 0.000 0.249 44 V C 2.719 178.654 176.094 -0.264 0.000 1.057 44 V CA 1.355 63.551 62.300 -0.174 0.000 1.032 44 V CB -0.576 31.133 31.823 -0.190 0.000 0.645 44 V HN 0.178 nan 8.190 nan 0.000 0.447 45 L N -0.740 120.361 121.223 -0.204 0.000 2.056 45 L HA -0.151 4.191 4.340 0.004 0.000 0.207 45 L C 2.731 179.479 176.870 -0.202 0.000 1.078 45 L CA 1.761 56.483 54.840 -0.197 0.000 0.749 45 L CB -0.559 41.436 42.059 -0.107 0.000 0.901 45 L HN 0.245 nan 8.230 nan 0.000 0.433 46 R N 0.184 120.574 120.500 -0.184 0.000 2.057 46 R HA -0.147 4.195 4.340 0.004 0.000 0.229 46 R C 1.896 177.912 176.300 -0.475 0.000 1.136 46 R CA 1.739 57.701 56.100 -0.230 0.000 0.952 46 R CB -0.101 30.119 30.300 -0.134 0.000 0.848 46 R HN 0.294 nan 8.270 nan 0.000 0.430 47 D N 0.301 120.462 120.400 -0.398 0.000 2.178 47 D HA -0.122 4.521 4.640 0.004 0.000 0.201 47 D C 0.934 176.839 176.300 -0.658 0.000 0.980 47 D CA 1.009 54.722 54.000 -0.479 0.000 0.842 47 D CB -0.216 40.448 40.800 -0.228 0.000 0.948 47 D HN 0.304 nan 8.370 nan 0.000 0.472 48 N N -0.019 118.396 118.700 -0.475 0.000 2.280 48 N HA -0.004 4.739 4.740 0.004 0.000 0.192 48 N C -0.136 175.304 175.510 -0.117 0.000 1.109 48 N CA -0.080 52.812 53.050 -0.263 0.000 0.855 48 N CB 0.502 38.883 38.487 -0.178 0.000 0.974 48 N HN 0.053 nan 8.380 nan 0.000 0.482 49 F N 0.365 120.276 119.950 -0.065 0.000 3.090 49 F HA -0.218 4.311 4.527 0.004 0.000 0.282 49 F C 0.165 175.915 175.800 -0.082 0.000 0.923 49 F CA -0.166 57.797 58.000 -0.063 0.000 0.977 49 F CB -2.056 36.917 39.000 -0.046 0.000 0.954 49 F HN -0.003 nan 8.300 nan 0.000 0.695 50 I N 0.722 121.272 120.570 -0.033 0.000 2.826 50 I HA -0.069 4.104 4.170 0.004 0.000 0.295 50 I C 1.775 177.857 176.117 -0.059 0.000 1.213 50 I CA 1.178 62.434 61.300 -0.073 0.000 1.436 50 I CB 0.023 37.918 38.000 -0.175 0.000 1.348 50 I HN 0.415 nan 8.210 nan 0.000 0.570 51 G N 4.184 112.946 108.800 -0.063 0.000 2.744 51 G HA2 0.104 4.067 3.960 0.004 0.000 0.211 51 G HA3 0.104 4.067 3.960 0.004 0.000 0.211 51 G C 0.538 175.373 174.900 -0.107 0.000 1.146 51 G CA 0.524 45.569 45.100 -0.092 0.000 0.787 51 G HN 0.622 nan 8.290 nan 0.000 0.534 52 S N -1.307 114.331 115.700 -0.102 0.000 2.543 52 S HA 0.652 5.125 4.470 0.004 0.000 0.274 52 S C -2.043 172.470 174.600 -0.145 0.000 1.149 52 S CA -0.655 57.494 58.200 -0.085 0.000 0.866 52 S CB 1.141 64.328 63.200 -0.022 0.000 1.111 52 S HN 0.018 nan 8.310 nan 0.000 0.457 53 L N 3.288 124.379 121.223 -0.220 0.000 2.333 53 L HA 0.859 5.202 4.340 0.004 0.000 0.263 53 L C -0.482 176.043 176.870 -0.575 0.000 1.014 53 L CA -0.570 54.017 54.840 -0.422 0.000 0.820 53 L CB 1.820 43.525 42.059 -0.590 0.000 1.352 53 L HN 0.848 nan 8.230 nan 0.000 0.421 54 L N -1.603 119.327 121.223 -0.487 0.000 2.397 54 L HA 0.897 5.240 4.340 0.004 0.000 0.251 54 L C -0.845 175.979 176.870 -0.077 0.000 1.064 54 L CA -0.428 54.252 54.840 -0.267 0.000 0.859 54 L CB 2.387 44.552 42.059 0.178 0.000 1.468 54 L HN 0.434 nan 8.230 nan 0.000 0.411 55 S N 0.259 116.121 115.700 0.271 0.000 2.733 55 S HA 0.700 5.173 4.470 0.004 0.000 0.307 55 S C -0.012 174.860 174.600 0.453 0.000 1.127 55 S CA -0.154 58.313 58.200 0.444 0.000 1.097 55 S CB 0.775 64.390 63.200 0.692 0.000 1.003 55 S HN 1.127 nan 8.310 nan 0.000 0.477 56 G N 2.250 111.316 108.800 0.442 0.000 2.651 56 G HA2 0.471 4.434 3.960 0.004 0.000 0.260 56 G HA3 0.471 4.434 3.960 0.004 0.000 0.260 56 G C 0.556 175.595 174.900 0.232 0.000 1.216 56 G CA -0.258 45.027 45.100 0.309 0.000 0.913 56 G HN 0.884 nan 8.290 nan 0.000 0.535 57 G N -1.497 107.391 108.800 0.146 0.000 2.178 57 G HA2 0.482 4.444 3.960 0.004 0.000 0.244 57 G HA3 0.482 4.444 3.960 0.004 0.000 0.244 57 G C 1.324 176.343 174.900 0.199 0.000 1.213 57 G CA 0.750 46.025 45.100 0.292 0.000 0.912 57 G HN 2.022 nan 8.290 nan 0.000 0.474 58 G N 1.176 110.155 108.800 0.297 0.000 2.184 58 G HA2 -0.283 3.680 3.960 0.004 0.000 0.264 58 G HA3 -0.283 3.680 3.960 0.004 0.000 0.264 58 G C 0.959 176.000 174.900 0.234 0.000 0.975 58 G CA 0.783 46.032 45.100 0.248 0.000 0.642 58 G HN 1.561 nan 8.290 nan 0.000 0.536 59 S N 0.784 116.641 115.700 0.262 0.000 3.065 59 S HA 0.525 4.997 4.470 0.004 0.000 0.311 59 S C 0.565 175.335 174.600 0.283 0.000 1.204 59 S CA 0.209 58.559 58.200 0.249 0.000 1.040 59 S CB -0.370 62.995 63.200 0.275 0.000 1.436 59 S HN 1.585 nan 8.310 nan 0.000 0.532 60 V N 3.592 123.617 119.914 0.185 0.000 2.919 60 V HA 0.708 4.831 4.120 0.004 0.000 0.316 60 V C -1.587 174.412 176.094 -0.158 0.000 1.077 60 V CA -1.992 60.323 62.300 0.026 0.000 0.977 60 V CB 1.376 33.335 31.823 0.227 0.000 1.039 60 V HN 0.425 nan 8.190 nan 0.000 0.441 61 P HA 0.018 nan 4.420 nan 0.000 0.223 61 P C 0.319 177.503 177.300 -0.195 0.000 1.151 61 P CA 0.831 63.735 63.100 -0.326 0.000 0.787 61 P CB 0.438 31.819 31.700 -0.531 0.000 0.788 62 R N -1.395 119.006 120.500 -0.165 0.000 2.833 62 R HA 0.195 4.538 4.340 0.004 0.000 0.259 62 R C -0.987 175.298 176.300 -0.026 0.000 1.047 62 R CA -0.738 55.313 56.100 -0.081 0.000 0.916 62 R CB 1.048 31.290 30.300 -0.097 0.000 1.259 62 R HN -0.336 nan 8.270 nan 0.000 0.482 63 K N 1.084 121.477 120.400 -0.012 0.000 2.412 63 K HA 0.150 4.472 4.320 0.004 0.000 0.281 63 K C 0.602 177.161 176.600 -0.067 0.000 1.027 63 K CA 1.479 57.766 56.287 0.000 0.000 0.989 63 K CB 0.793 33.285 32.500 -0.014 0.000 0.935 63 K HN 0.863 nan 8.250 nan 0.000 0.475 64 G N 1.771 110.521 108.800 -0.084 0.000 2.179 64 G HA2 -0.313 3.649 3.960 0.004 0.000 0.257 64 G HA3 -0.313 3.649 3.960 0.004 0.000 0.257 64 G C 0.350 175.203 174.900 -0.079 0.000 1.010 64 G CA 0.495 45.385 45.100 -0.350 0.000 0.736 64 G HN 0.847 nan 8.290 nan 0.000 0.513 65 A N 0.005 122.883 122.820 0.098 0.000 2.483 65 A HA 0.668 4.991 4.320 0.004 0.000 0.238 65 A C 1.157 178.907 177.584 0.277 0.000 1.070 65 A CA 1.162 53.271 52.037 0.119 0.000 0.770 65 A CB 0.223 19.223 19.000 0.000 0.000 1.008 65 A HN 1.880 nan 8.150 nan 0.000 0.497 66 T N -1.256 113.422 114.554 0.207 0.000 2.847 66 T HA 0.525 4.878 4.350 0.004 0.000 0.279 66 T C 1.342 176.226 174.700 0.306 0.000 0.984 66 T CA -0.019 62.218 62.100 0.228 0.000 0.988 66 T CB 1.142 70.089 68.868 0.132 0.000 1.040 66 T HN 1.329 nan 8.240 nan 0.000 0.528 67 A N 1.111 124.059 122.820 0.212 0.000 1.948 67 A HA -0.089 4.233 4.320 0.004 0.000 0.220 67 A C 2.362 180.058 177.584 0.187 0.000 1.177 67 A CA 1.278 53.422 52.037 0.178 0.000 0.636 67 A CB -0.777 18.270 19.000 0.078 0.000 0.815 67 A HN 0.792 nan 8.150 nan 0.000 0.449 68 K N -0.153 120.325 120.400 0.129 0.000 2.097 68 K HA -0.111 4.212 4.320 0.004 0.000 0.205 68 K C 1.789 178.437 176.600 0.081 0.000 1.050 68 K CA 1.414 57.754 56.287 0.088 0.000 0.938 68 K CB -0.331 32.200 32.500 0.052 0.000 0.718 68 K HN 0.713 nan 8.250 nan 0.000 0.442 69 E N -0.680 119.572 120.200 0.086 0.000 2.110 69 E HA -0.190 4.163 4.350 0.004 0.000 0.193 69 E C 1.931 178.502 176.600 -0.048 0.000 0.988 69 E CA 1.074 57.469 56.400 -0.008 0.000 0.804 69 E CB -0.147 29.524 29.700 -0.048 0.000 0.745 69 E HN 0.355 nan 8.360 nan 0.000 0.458 70 W N 1.527 122.808 121.300 -0.032 0.000 2.379 70 W HA -0.117 4.546 4.660 0.004 0.000 0.307 70 W C 2.465 178.930 176.519 -0.090 0.000 1.200 70 W CA 0.885 58.194 57.345 -0.060 0.000 1.297 70 W CB -0.313 29.118 29.460 -0.049 0.000 1.140 70 W HN 0.066 nan 8.180 nan 0.000 0.507 71 Q N -0.023 119.883 119.800 0.176 0.000 2.112 71 Q HA -0.231 4.112 4.340 0.004 0.000 0.206 71 Q C 1.693 177.708 176.000 0.026 0.000 0.987 71 Q CA 1.783 57.636 55.803 0.084 0.000 0.858 71 Q CB -0.445 28.337 28.738 0.074 0.000 0.905 71 Q HN 0.249 nan 8.270 nan 0.000 0.420 72 D N 0.193 120.589 120.400 -0.006 0.000 2.117 72 D HA -0.178 4.465 4.640 0.004 0.000 0.197 72 D C 1.748 177.967 176.300 -0.136 0.000 0.987 72 D CA 1.023 54.990 54.000 -0.056 0.000 0.829 72 D CB -0.215 40.545 40.800 -0.067 0.000 0.961 72 D HN 0.257 nan 8.370 nan 0.000 0.460 73 M N 0.546 120.032 119.600 -0.190 0.000 2.086 73 M HA -0.166 4.317 4.480 0.004 0.000 0.261 73 M C 2.009 178.082 176.300 -0.378 0.000 1.067 73 M CA 1.268 56.351 55.300 -0.361 0.000 1.116 73 M CB 0.035 32.436 32.600 -0.333 0.000 1.348 73 M HN -0.148 nan 8.290 nan 0.000 0.407 74 V N 1.004 120.838 119.914 -0.135 0.000 2.295 74 V HA -0.301 3.822 4.120 0.004 0.000 0.246 74 V C 1.908 178.034 176.094 0.054 0.000 1.049 74 V CA 2.170 64.475 62.300 0.008 0.000 1.024 74 V CB -1.063 30.727 31.823 -0.055 0.000 0.648 74 V HN 0.472 nan 8.190 nan 0.000 0.447 75 D N 0.619 121.040 120.400 0.036 0.000 2.149 75 D HA -0.123 4.520 4.640 0.004 0.000 0.198 75 D C 2.202 178.561 176.300 0.098 0.000 0.990 75 D CA 1.634 55.719 54.000 0.142 0.000 0.839 75 D CB -0.573 40.337 40.800 0.183 0.000 0.948 75 D HN 0.482 nan 8.370 nan 0.000 0.460 76 G N 0.194 108.948 108.800 -0.075 0.000 2.446 76 G HA2 -0.258 3.705 3.960 0.004 0.000 0.217 76 G HA3 -0.258 3.705 3.960 0.004 0.000 0.217 76 G C 1.358 176.239 174.900 -0.032 0.000 1.168 76 G CA 0.332 45.354 45.100 -0.130 0.000 0.771 76 G HN 0.167 nan 8.290 nan 0.000 0.551 77 F N 0.758 120.746 119.950 0.063 0.000 2.186 77 F HA 0.008 4.537 4.527 0.004 0.000 0.299 77 F C 2.774 178.588 175.800 0.022 0.000 1.090 77 F CA 1.105 59.136 58.000 0.053 0.000 1.307 77 F CB -0.854 38.211 39.000 0.108 0.000 1.019 77 F HN 0.173 nan 8.300 nan 0.000 0.489 78 Q N 0.907 120.817 119.800 0.183 0.000 2.046 78 Q HA -0.149 4.194 4.340 0.004 0.000 0.200 78 Q C 2.110 178.124 176.000 0.023 0.000 0.975 78 Q CA 1.724 57.526 55.803 -0.001 0.000 0.836 78 Q CB -0.230 28.375 28.738 -0.223 0.000 0.896 78 Q HN 0.234 nan 8.270 nan 0.000 0.428 79 K N -0.326 120.178 120.400 0.174 0.000 2.074 79 K HA -0.208 4.115 4.320 0.004 0.000 0.209 79 K C 2.004 178.672 176.600 0.114 0.000 1.048 79 K CA 1.281 57.700 56.287 0.220 0.000 0.926 79 K CB -0.345 32.270 32.500 0.191 0.000 0.713 79 K HN 0.315 nan 8.250 nan 0.000 0.444 80 A N 1.039 123.915 122.820 0.094 0.000 1.877 80 A HA -0.195 4.127 4.320 0.004 0.000 0.216 80 A C 2.495 180.096 177.584 0.029 0.000 1.186 80 A CA 1.676 53.749 52.037 0.060 0.000 0.620 80 A CB -0.924 18.122 19.000 0.077 0.000 0.822 80 A HN 0.436 nan 8.150 nan 0.000 0.443 81 C N -0.886 118.426 119.300 0.020 0.000 2.446 81 C HA -0.054 4.409 4.460 0.004 0.000 0.277 81 C C 2.720 177.707 174.990 -0.006 0.000 1.275 81 C CA 1.074 60.084 59.018 -0.013 0.000 1.727 81 C CB -1.006 26.707 27.740 -0.046 0.000 2.010 81 C HN 0.558 nan 8.230 nan 0.000 0.486 82 M N 1.973 121.570 119.600 -0.006 0.000 2.549 82 M HA -0.060 4.422 4.480 0.004 0.000 0.260 82 M C 2.169 178.508 176.300 0.065 0.000 1.076 82 M CA 1.327 56.638 55.300 0.019 0.000 1.090 82 M CB -1.325 31.308 32.600 0.055 0.000 1.418 82 M HN 0.628 nan 8.290 nan 0.000 0.486 83 S N -0.923 114.814 115.700 0.062 0.000 2.558 83 S HA 0.006 4.479 4.470 0.004 0.000 0.217 83 S C 1.044 175.686 174.600 0.070 0.000 0.975 83 S CA 0.088 58.326 58.200 0.064 0.000 0.912 83 S CB -0.907 62.323 63.200 0.050 0.000 0.776 83 S HN 0.546 nan 8.310 nan 0.000 0.526 84 T N -0.148 114.456 114.554 0.083 0.000 2.680 84 T HA 0.221 4.574 4.350 0.004 0.000 0.314 84 T C 1.022 175.817 174.700 0.158 0.000 1.045 84 T CA -0.471 61.714 62.100 0.143 0.000 1.025 84 T CB 0.580 69.587 68.868 0.231 0.000 1.000 84 T HN 0.307 nan 8.240 nan 0.000 0.535 85 R N -0.255 120.366 120.500 0.202 0.000 2.103 85 R HA -0.054 4.289 4.340 0.004 0.000 0.242 85 R C 2.050 178.437 176.300 0.146 0.000 1.142 85 R CA 1.572 57.762 56.100 0.150 0.000 0.960 85 R CB -0.487 29.894 30.300 0.135 0.000 0.858 85 R HN 0.766 nan 8.270 nan 0.000 0.439 86 L N -0.748 120.563 121.223 0.146 0.000 2.529 86 L HA 0.239 4.581 4.340 0.004 0.000 0.223 86 L C 0.990 178.001 176.870 0.235 0.000 1.113 86 L CA 0.348 55.303 54.840 0.192 0.000 0.861 86 L CB 0.257 42.350 42.059 0.057 0.000 1.012 86 L HN 0.527 nan 8.230 nan 0.000 0.461 87 G N 1.988 110.883 108.800 0.157 0.000 2.338 87 G HA2 -0.288 3.675 3.960 0.004 0.000 0.296 87 G HA3 -0.288 3.675 3.960 0.004 0.000 0.296 87 G C 0.077 175.002 174.900 0.041 0.000 1.040 87 G CA -0.075 45.093 45.100 0.113 0.000 1.004 87 G HN 0.326 nan 8.290 nan 0.000 0.509 88 I N 2.254 122.814 120.570 -0.017 0.000 2.363 88 I HA 0.191 4.364 4.170 0.004 0.000 0.292 88 I C -1.173 174.762 176.117 -0.303 0.000 1.075 88 I CA -2.003 59.184 61.300 -0.188 0.000 1.333 88 I CB 0.863 38.798 38.000 -0.109 0.000 1.415 88 I HN 0.056 nan 8.210 nan 0.000 0.502 89 P HA 0.053 nan 4.420 nan 0.000 0.269 89 P C -0.695 176.411 177.300 -0.324 0.000 1.209 89 P CA -0.396 62.447 63.100 -0.430 0.000 0.776 89 P CB 0.870 32.233 31.700 -0.563 0.000 0.876 90 M N 2.698 122.180 119.600 -0.197 0.000 2.291 90 M HA 0.498 4.980 4.480 0.004 0.000 0.324 90 M C -0.299 175.959 176.300 -0.070 0.000 1.148 90 M CA -0.328 54.900 55.300 -0.119 0.000 1.104 90 M CB 0.598 33.161 32.600 -0.062 0.000 1.483 90 M HN 0.249 nan 8.290 nan 0.000 0.467 91 I N 2.238 122.797 120.570 -0.019 0.000 2.362 91 I HA 0.385 4.557 4.170 0.004 0.000 0.289 91 I C -1.754 174.465 176.117 0.171 0.000 0.994 91 I CA -0.840 60.501 61.300 0.069 0.000 1.158 91 I CB 0.750 38.784 38.000 0.056 0.000 1.315 91 I HN 0.790 nan 8.210 nan 0.000 0.451 92 Y N 6.631 126.996 120.300 0.108 0.000 2.327 92 Y HA 0.622 5.174 4.550 0.004 0.000 0.336 92 Y C 0.381 176.349 175.900 0.114 0.000 1.035 92 Y CA -0.294 57.882 58.100 0.126 0.000 1.165 92 Y CB 1.419 39.959 38.460 0.133 0.000 1.181 92 Y HN 0.567 nan 8.280 nan 0.000 0.494 93 G N 6.019 114.854 108.800 0.058 0.000 2.432 93 G HA2 0.661 4.624 3.960 0.004 0.000 0.331 93 G HA3 0.661 4.624 3.960 0.004 0.000 0.331 93 G C -1.781 172.935 174.900 -0.306 0.000 1.170 93 G CA -0.688 44.197 45.100 -0.358 0.000 0.943 93 G HN 0.760 nan 8.290 nan 0.000 0.483 94 I N -0.493 119.659 120.570 -0.697 0.000 3.093 94 I HA 0.295 4.468 4.170 0.004 0.000 0.308 94 I C -1.321 174.675 176.117 -0.202 0.000 1.303 94 I CA -1.017 60.189 61.300 -0.156 0.000 0.975 94 I CB 2.693 40.736 38.000 0.071 0.000 1.286 94 I HN 0.323 nan 8.210 nan 0.000 0.459 95 D N 5.291 125.770 120.400 0.131 0.000 2.522 95 D HA 0.305 4.948 4.640 0.004 0.000 0.218 95 D C -0.240 176.028 176.300 -0.054 0.000 1.149 95 D CA 0.084 54.095 54.000 0.019 0.000 0.981 95 D CB 1.136 41.849 40.800 -0.146 0.000 1.041 95 D HN 0.483 nan 8.370 nan 0.000 0.518 96 A N 2.000 124.766 122.820 -0.090 0.000 3.094 96 A HA 0.235 4.557 4.320 0.004 0.000 0.288 96 A C 1.460 179.011 177.584 -0.056 0.000 1.519 96 A CA -0.571 51.431 52.037 -0.059 0.000 1.227 96 A CB -0.273 18.669 19.000 -0.096 0.000 1.175 96 A HN 0.368 nan 8.150 nan 0.000 0.568 97 V N -0.885 119.002 119.914 -0.045 0.000 3.129 97 V HA 0.081 4.203 4.120 0.004 0.000 0.259 97 V C 0.809 176.961 176.094 0.096 0.000 1.116 97 V CA 1.745 64.006 62.300 -0.065 0.000 1.127 97 V CB -1.554 30.102 31.823 -0.279 0.000 0.742 97 V HN 0.969 nan 8.190 nan 0.000 0.474 98 H N -1.741 117.304 119.070 -0.042 0.000 3.229 98 H HA 0.658 5.216 4.556 0.004 0.000 0.211 98 H C 0.194 175.593 175.328 0.119 0.000 1.364 98 H CA -0.257 55.783 56.048 -0.013 0.000 1.270 98 H CB 0.191 29.860 29.762 -0.155 0.000 2.309 98 H HN 0.696 nan 8.280 nan 0.000 0.520 99 G N 1.189 110.055 108.800 0.110 0.000 2.434 99 G HA2 -0.211 3.752 3.960 0.004 0.000 0.671 99 G HA3 -0.211 3.752 3.960 0.004 0.000 0.671 99 G C -0.863 174.026 174.900 -0.017 0.000 1.280 99 G CA -0.643 44.532 45.100 0.126 0.000 0.975 99 G HN 0.459 nan 8.290 nan 0.000 0.510 100 Q N 0.713 120.475 119.800 -0.063 0.000 3.254 100 Q HA 0.256 4.598 4.340 0.004 0.000 0.315 100 Q C 1.784 177.719 176.000 -0.108 0.000 1.405 100 Q CA 0.897 56.629 55.803 -0.119 0.000 0.966 100 Q CB -1.016 27.611 28.738 -0.184 0.000 1.706 100 Q HN 0.690 nan 8.270 nan 0.000 0.525 101 N N -0.181 118.495 118.700 -0.040 0.000 2.417 101 N HA -0.230 4.513 4.740 0.004 0.000 0.187 101 N C 0.634 176.209 175.510 0.108 0.000 1.027 101 N CA 1.827 54.884 53.050 0.012 0.000 0.891 101 N CB -0.104 38.469 38.487 0.142 0.000 0.956 101 N HN 0.456 nan 8.380 nan 0.000 0.442 102 N N -0.762 118.004 118.700 0.110 0.000 2.376 102 N HA 0.062 4.804 4.740 0.004 0.000 0.177 102 N C -0.626 174.980 175.510 0.160 0.000 1.024 102 N CA 0.142 53.311 53.050 0.198 0.000 0.893 102 N CB 0.371 39.013 38.487 0.259 0.000 0.980 102 N HN -0.009 nan 8.380 nan 0.000 0.439 103 V N 1.842 121.725 119.914 -0.052 0.000 2.555 103 V HA -0.037 4.086 4.120 0.004 0.000 0.286 103 V C -0.207 175.920 176.094 0.055 0.000 1.044 103 V CA -0.394 61.855 62.300 -0.084 0.000 1.026 103 V CB -0.001 31.549 31.823 -0.456 0.000 0.981 103 V HN 0.181 nan 8.190 nan 0.000 0.480 104 Y N 4.088 124.445 120.300 0.094 0.000 2.497 104 Y HA 0.440 4.993 4.550 0.004 0.000 0.334 104 Y C 1.308 177.221 175.900 0.021 0.000 1.199 104 Y CA 0.925 59.067 58.100 0.069 0.000 1.425 104 Y CB 0.750 39.275 38.460 0.108 0.000 1.291 104 Y HN 0.921 nan 8.280 nan 0.000 0.562 105 G N 2.930 111.224 108.800 -0.844 0.000 2.184 105 G HA2 -0.264 3.699 3.960 0.004 0.000 0.264 105 G HA3 -0.264 3.699 3.960 0.004 0.000 0.264 105 G C 0.180 174.910 174.900 -0.284 0.000 0.975 105 G CA 0.126 44.879 45.100 -0.579 0.000 0.642 105 G HN 1.273 nan 8.290 nan 0.000 0.536 106 A N 0.255 122.937 122.820 -0.229 0.000 2.371 106 A HA 0.673 4.995 4.320 0.004 0.000 0.257 106 A C 0.833 178.291 177.584 -0.210 0.000 1.089 106 A CA 0.878 52.809 52.037 -0.176 0.000 0.794 106 A CB 0.347 19.250 19.000 -0.162 0.000 1.029 106 A HN 0.776 nan 8.150 nan 0.000 0.488 107 T N 3.204 117.639 114.554 -0.199 0.000 2.867 107 T HA 0.245 4.598 4.350 0.004 0.000 0.297 107 T C 0.192 174.641 174.700 -0.418 0.000 0.989 107 T CA 0.558 62.456 62.100 -0.335 0.000 1.159 107 T CB -0.256 68.370 68.868 -0.402 0.000 0.928 107 T HN 0.328 nan 8.240 nan 0.000 0.538 108 I N 4.862 125.149 120.570 -0.472 0.000 2.328 108 I HA 0.349 4.521 4.170 0.004 0.000 0.287 108 I C 0.015 175.843 176.117 -0.481 0.000 1.012 108 I CA -0.717 60.293 61.300 -0.484 0.000 1.195 108 I CB 0.331 38.087 38.000 -0.408 0.000 1.350 108 I HN 0.517 nan 8.210 nan 0.000 0.464 109 F N 6.962 126.746 119.950 -0.276 0.000 2.370 109 F HA 0.422 4.952 4.527 0.004 0.000 0.319 109 F C -1.750 174.026 175.800 -0.040 0.000 1.129 109 F CA -2.017 55.910 58.000 -0.121 0.000 1.109 109 F CB 0.142 39.093 39.000 -0.081 0.000 1.262 109 F HN 0.269 nan 8.300 nan 0.000 0.534 110 P HA -0.004 nan 4.420 nan 0.000 0.268 110 P C -0.506 176.901 177.300 0.178 0.000 1.205 110 P CA 0.236 63.441 63.100 0.176 0.000 0.771 110 P CB 0.290 32.097 31.700 0.178 0.000 0.858 111 H N 2.370 121.538 119.070 0.162 0.000 2.757 111 H HA 0.050 4.608 4.556 0.004 0.000 0.370 111 H C 1.472 176.805 175.328 0.008 0.000 1.172 111 H CA 0.391 56.463 56.048 0.039 0.000 1.426 111 H CB 0.507 30.233 29.762 -0.061 0.000 1.438 111 H HN 0.406 nan 8.280 nan 0.000 0.612 112 N N 1.102 119.853 118.700 0.084 0.000 2.096 112 N HA -0.193 4.549 4.740 0.004 0.000 0.195 112 N C 2.006 177.463 175.510 -0.088 0.000 1.017 112 N CA 1.088 54.050 53.050 -0.147 0.000 0.870 112 N CB -0.527 37.584 38.487 -0.626 0.000 1.024 112 N HN 0.381 nan 8.380 nan 0.000 0.434 113 V N 0.764 120.608 119.914 -0.117 0.000 2.392 113 V HA -0.143 3.980 4.120 0.004 0.000 0.249 113 V C 2.034 177.794 176.094 -0.557 0.000 1.059 113 V CA 2.356 64.479 62.300 -0.295 0.000 1.051 113 V CB -0.952 30.681 31.823 -0.316 0.000 0.658 113 V HN 0.401 nan 8.190 nan 0.000 0.455 114 G N -0.668 107.900 108.800 -0.386 0.000 2.403 114 G HA2 -0.154 3.808 3.960 0.004 0.000 0.216 114 G HA3 -0.154 3.808 3.960 0.004 0.000 0.216 114 G C 1.510 176.351 174.900 -0.097 0.000 1.154 114 G CA 0.914 45.798 45.100 -0.360 0.000 0.784 114 G HN 0.523 nan 8.290 nan 0.000 0.538 115 L N 0.839 122.073 121.223 0.018 0.000 2.201 115 L HA 0.021 4.363 4.340 0.004 0.000 0.212 115 L C 3.061 179.977 176.870 0.076 0.000 1.105 115 L CA 0.833 55.731 54.840 0.096 0.000 0.775 115 L CB -0.518 41.664 42.059 0.204 0.000 0.913 115 L HN 0.335 nan 8.230 nan 0.000 0.440 116 G N -0.320 108.517 108.800 0.062 0.000 2.422 116 G HA2 -0.182 3.780 3.960 0.004 0.000 0.218 116 G HA3 -0.182 3.780 3.960 0.004 0.000 0.218 116 G C 1.724 176.616 174.900 -0.013 0.000 1.140 116 G CA 0.651 45.773 45.100 0.036 0.000 0.775 116 G HN 0.448 nan 8.290 nan 0.000 0.545 117 A N 0.765 123.549 122.820 -0.061 0.000 2.121 117 A HA 0.039 4.362 4.320 0.004 0.000 0.218 117 A C 2.524 180.159 177.584 0.085 0.000 1.154 117 A CA 2.290 54.349 52.037 0.038 0.000 0.679 117 A CB -0.685 18.389 19.000 0.124 0.000 0.795 117 A HN 0.502 nan 8.150 nan 0.000 0.458 118 T N -4.587 110.002 114.554 0.058 0.000 3.067 118 T HA 0.018 4.371 4.350 0.004 0.000 0.257 118 T C 0.978 175.701 174.700 0.038 0.000 1.105 118 T CA 0.423 62.557 62.100 0.056 0.000 1.104 118 T CB -0.145 68.750 68.868 0.045 0.000 0.925 118 T HN 0.405 nan 8.240 nan 0.000 0.498 119 R N 1.265 121.778 120.500 0.021 0.000 3.722 119 R HA -0.139 4.204 4.340 0.004 0.000 0.284 119 R C -0.725 175.578 176.300 0.004 0.000 1.165 119 R CA 1.048 57.153 56.100 0.008 0.000 0.779 119 R CB -2.572 27.742 30.300 0.023 0.000 1.179 119 R HN 0.586 nan 8.270 nan 0.000 0.491 120 D N -0.236 120.165 120.400 0.002 0.000 2.458 120 D HA 0.298 4.940 4.640 0.004 0.000 0.258 120 D C -1.649 174.649 176.300 -0.004 0.000 1.134 120 D CA -2.361 51.649 54.000 0.016 0.000 0.915 120 D CB 1.122 41.940 40.800 0.030 0.000 1.028 120 D HN -0.058 nan 8.370 nan 0.000 0.508 121 P HA -0.160 nan 4.420 nan 0.000 0.216 121 P C 1.147 178.452 177.300 0.008 0.000 1.150 121 P CA 0.748 63.823 63.100 -0.042 0.000 0.837 121 P CB 0.069 31.743 31.700 -0.043 0.000 0.786 122 Y N 0.430 120.694 120.300 -0.061 0.000 2.224 122 Y HA -0.168 4.384 4.550 0.004 0.000 0.289 122 Y C 2.050 177.920 175.900 -0.050 0.000 1.146 122 Y CA 1.006 59.075 58.100 -0.051 0.000 1.182 122 Y CB -1.077 37.362 38.460 -0.036 0.000 0.983 122 Y HN -0.193 nan 8.280 nan 0.000 0.524 123 L N -0.615 120.530 121.223 -0.131 0.000 1.994 123 L HA -0.161 4.181 4.340 0.004 0.000 0.208 123 L C 2.295 179.037 176.870 -0.212 0.000 1.071 123 L CA 1.922 56.646 54.840 -0.192 0.000 0.745 123 L CB -1.117 40.903 42.059 -0.065 0.000 0.892 123 L HN 0.066 nan 8.230 nan 0.000 0.431 124 V N 0.177 120.002 119.914 -0.148 0.000 2.380 124 V HA -0.351 3.772 4.120 0.004 0.000 0.251 124 V C 2.680 178.657 176.094 -0.196 0.000 1.063 124 V CA 2.242 64.452 62.300 -0.150 0.000 1.055 124 V CB -0.911 30.832 31.823 -0.133 0.000 0.657 124 V HN 0.571 nan 8.190 nan 0.000 0.455 125 K N 0.169 120.448 120.400 -0.202 0.000 2.057 125 K HA -0.197 4.126 4.320 0.004 0.000 0.207 125 K C 2.362 178.805 176.600 -0.262 0.000 1.049 125 K CA 1.539 57.710 56.287 -0.194 0.000 0.931 125 K CB -0.110 32.313 32.500 -0.129 0.000 0.714 125 K HN 0.344 nan 8.250 nan 0.000 0.440 126 R N 0.290 120.560 120.500 -0.382 0.000 2.148 126 R HA -0.008 4.334 4.340 0.004 0.000 0.227 126 R C 2.225 178.348 176.300 -0.294 0.000 1.103 126 R CA 1.185 57.079 56.100 -0.343 0.000 0.983 126 R CB -0.149 29.903 30.300 -0.413 0.000 0.874 126 R HN 0.277 nan 8.270 nan 0.000 0.451 127 I N -0.456 119.894 120.570 -0.366 0.000 2.353 127 I HA -0.128 4.044 4.170 0.004 0.000 0.248 127 I C 2.412 178.194 176.117 -0.558 0.000 1.119 127 I CA 1.263 62.178 61.300 -0.642 0.000 1.417 127 I CB -0.468 37.111 38.000 -0.703 0.000 1.078 127 I HN 0.299 nan 8.210 nan 0.000 0.421 128 G N 0.595 109.188 108.800 -0.345 0.000 2.432 128 G HA2 -0.198 3.764 3.960 0.004 0.000 0.219 128 G HA3 -0.198 3.764 3.960 0.004 0.000 0.219 128 G C 1.478 176.251 174.900 -0.211 0.000 1.135 128 G CA 0.489 45.442 45.100 -0.244 0.000 0.767 128 G HN 0.430 nan 8.290 nan 0.000 0.550 129 E N 0.804 120.884 120.200 -0.199 0.000 2.047 129 E HA -0.012 4.341 4.350 0.004 0.000 0.191 129 E C 2.963 179.456 176.600 -0.177 0.000 0.987 129 E CA 0.762 57.077 56.400 -0.142 0.000 0.799 129 E CB -0.266 29.372 29.700 -0.103 0.000 0.752 129 E HN 0.376 nan 8.360 nan 0.000 0.449 130 A N 1.407 124.076 122.820 -0.252 0.000 1.908 130 A HA -0.188 4.135 4.320 0.004 0.000 0.218 130 A C 2.430 179.758 177.584 -0.426 0.000 1.181 130 A CA 2.034 53.811 52.037 -0.434 0.000 0.627 130 A CB -1.020 17.781 19.000 -0.332 0.000 0.818 130 A HN 0.184 nan 8.150 nan 0.000 0.445 131 T N 0.270 114.623 114.554 -0.335 0.000 2.746 131 T HA -0.036 4.316 4.350 0.004 0.000 0.267 131 T C 2.221 176.820 174.700 -0.168 0.000 1.039 131 T CA 1.608 63.571 62.100 -0.228 0.000 1.142 131 T CB -0.471 68.250 68.868 -0.246 0.000 0.866 131 T HN 0.618 nan 8.240 nan 0.000 0.444 132 A N 1.381 124.109 122.820 -0.152 0.000 1.883 132 A HA -0.032 4.290 4.320 0.004 0.000 0.217 132 A C 2.314 179.848 177.584 -0.085 0.000 1.186 132 A CA 1.310 53.287 52.037 -0.100 0.000 0.624 132 A CB -0.922 18.031 19.000 -0.078 0.000 0.822 132 A HN 0.480 nan 8.150 nan 0.000 0.444 133 L N -0.747 120.422 121.223 -0.091 0.000 2.012 133 L HA -0.233 4.110 4.340 0.004 0.000 0.210 133 L C 2.606 179.452 176.870 -0.040 0.000 1.073 133 L CA 1.851 56.667 54.840 -0.039 0.000 0.748 133 L CB -0.689 41.378 42.059 0.014 0.000 0.891 133 L HN 0.476 nan 8.230 nan 0.000 0.431 134 E N -0.497 119.648 120.200 -0.091 0.000 2.204 134 E HA -0.144 4.209 4.350 0.004 0.000 0.194 134 E C 2.256 178.793 176.600 -0.105 0.000 0.989 134 E CA 0.877 57.233 56.400 -0.074 0.000 0.824 134 E CB 0.095 29.745 29.700 -0.083 0.000 0.756 134 E HN 0.317 nan 8.360 nan 0.000 0.477 135 V N 1.104 120.952 119.914 -0.110 0.000 2.379 135 V HA -0.160 3.963 4.120 0.004 0.000 0.245 135 V C 2.196 178.235 176.094 -0.092 0.000 1.044 135 V CA 1.243 63.469 62.300 -0.124 0.000 1.036 135 V CB -0.288 31.472 31.823 -0.106 0.000 0.664 135 V HN 0.147 nan 8.190 nan 0.000 0.453 136 R N 0.403 120.869 120.500 -0.057 0.000 2.189 136 R HA 0.048 4.391 4.340 0.004 0.000 0.223 136 R C 2.261 178.549 176.300 -0.019 0.000 1.092 136 R CA 1.207 57.290 56.100 -0.028 0.000 0.989 136 R CB -0.960 29.332 30.300 -0.014 0.000 0.876 136 R HN 0.521 nan 8.270 nan 0.000 0.457 137 A N 0.664 123.467 122.820 -0.029 0.000 2.070 137 A HA -0.113 4.210 4.320 0.004 0.000 0.220 137 A C 1.736 179.310 177.584 -0.015 0.000 1.159 137 A CA 1.861 53.890 52.037 -0.013 0.000 0.656 137 A CB -0.389 18.604 19.000 -0.013 0.000 0.800 137 A HN 0.417 nan 8.150 nan 0.000 0.453 138 T N -5.432 109.089 114.554 -0.056 0.000 3.129 138 T HA 0.449 4.802 4.350 0.004 0.000 0.267 138 T C 1.221 175.938 174.700 0.028 0.000 1.018 138 T CA 0.917 62.999 62.100 -0.029 0.000 0.903 138 T CB 0.173 68.873 68.868 -0.280 0.000 1.067 138 T HN 1.595 nan 8.240 nan 0.000 0.549 139 G N 1.649 110.454 108.800 0.009 0.000 2.184 139 G HA2 -0.231 3.732 3.960 0.004 0.000 0.264 139 G HA3 -0.231 3.732 3.960 0.004 0.000 0.264 139 G C 0.023 174.917 174.900 -0.009 0.000 0.975 139 G CA 0.174 45.284 45.100 0.016 0.000 0.642 139 G HN 0.674 nan 8.290 nan 0.000 0.536 140 I N 0.199 120.748 120.570 -0.036 0.000 2.440 140 I HA 0.377 4.550 4.170 0.004 0.000 0.294 140 I C 1.056 177.190 176.117 0.027 0.000 0.995 140 I CA -0.459 60.837 61.300 -0.007 0.000 1.306 140 I CB 1.613 39.592 38.000 -0.035 0.000 1.407 140 I HN 0.089 nan 8.210 nan 0.000 0.501 141 Q N 4.724 124.576 119.800 0.087 0.000 2.171 141 Q HA 0.208 4.551 4.340 0.004 0.000 0.218 141 Q C -1.054 175.025 176.000 0.131 0.000 0.822 141 Q CA -0.024 55.823 55.803 0.073 0.000 0.987 141 Q CB 0.581 29.351 28.738 0.053 0.000 1.144 141 Q HN 0.548 nan 8.270 nan 0.000 0.494 142 Y N 0.635 120.899 120.300 -0.061 0.000 2.330 142 Y HA 0.692 5.245 4.550 0.005 0.000 0.324 142 Y C -1.759 173.968 175.900 -0.288 0.000 1.093 142 Y CA -2.275 55.745 58.100 -0.133 0.000 1.103 142 Y CB 0.857 39.263 38.460 -0.090 0.000 1.183 142 Y HN -0.042 nan 8.280 nan 0.000 0.433 143 A N 5.486 128.230 122.820 -0.126 0.000 2.318 143 A HA 0.633 4.956 4.320 0.004 0.000 0.324 143 A C -1.384 175.975 177.584 -0.375 0.000 1.170 143 A CA -0.547 51.283 52.037 -0.344 0.000 0.810 143 A CB 0.058 18.971 19.000 -0.145 0.000 1.198 143 A HN 0.552 nan 8.150 nan 0.000 0.484 144 F N 1.947 121.729 119.950 -0.280 0.000 2.651 144 F HA 0.468 4.998 4.527 0.005 0.000 0.369 144 F C 1.005 176.692 175.800 -0.188 0.000 1.187 144 F CA 0.286 58.132 58.000 -0.256 0.000 1.335 144 F CB -0.696 38.154 39.000 -0.249 0.000 1.707 144 F HN 0.658 nan 8.300 nan 0.000 0.637 145 A N 1.553 124.380 122.820 0.011 0.000 2.594 145 A HA 0.834 5.157 4.320 0.004 0.000 0.291 145 A C -2.930 174.654 177.584 -0.000 0.000 1.105 145 A CA -1.614 50.405 52.037 -0.030 0.000 0.694 145 A CB 2.131 21.096 19.000 -0.058 0.000 1.291 145 A HN 0.015 nan 8.150 nan 0.000 0.410 146 P HA 0.381 nan 4.420 nan 0.000 0.282 146 P C -0.436 176.828 177.300 -0.059 0.000 1.259 146 P CA -0.458 62.637 63.100 -0.008 0.000 0.826 146 P CB 1.440 33.197 31.700 0.095 0.000 1.064 147 C N 4.542 123.773 119.300 -0.115 0.000 2.349 147 C HA 0.438 4.901 4.460 0.004 0.000 0.348 147 C C 1.401 176.347 174.990 -0.074 0.000 1.223 147 C CA -0.607 58.327 59.018 -0.140 0.000 1.746 147 C CB -2.475 25.176 27.740 -0.149 0.000 2.360 147 C HN 0.486 nan 8.230 nan 0.000 0.533 148 I N 4.194 124.734 120.570 -0.049 0.000 3.731 148 I HA 0.449 4.622 4.170 0.004 0.000 0.341 148 I C 0.883 177.011 176.117 0.019 0.000 1.532 148 I CA -0.289 61.002 61.300 -0.015 0.000 1.163 148 I CB -0.571 37.321 38.000 -0.179 0.000 1.339 148 I HN 0.626 nan 8.210 nan 0.000 0.449 149 A N 1.141 124.029 122.820 0.113 0.000 2.386 149 A HA 0.536 4.859 4.320 0.004 0.000 0.248 149 A C 0.201 177.900 177.584 0.192 0.000 1.082 149 A CA -0.148 52.012 52.037 0.205 0.000 0.789 149 A CB 0.724 19.967 19.000 0.403 0.000 1.025 149 A HN 0.296 nan 8.150 nan 0.000 0.490 150 V N 2.516 122.552 119.914 0.203 0.000 2.239 150 V HA 0.114 4.237 4.120 0.004 0.000 0.267 150 V C 0.313 176.522 176.094 0.192 0.000 1.056 150 V CA -0.643 61.776 62.300 0.198 0.000 0.830 150 V CB 0.216 32.159 31.823 0.200 0.000 1.090 150 V HN 0.998 nan 8.190 nan 0.000 0.459 151 c N 6.482 125.214 118.600 0.221 0.000 2.638 151 c HA 0.178 4.750 4.570 0.004 0.000 0.410 151 c C 1.679 175.864 174.090 0.159 0.000 1.404 151 c CA 0.032 56.505 56.329 0.239 0.000 1.651 151 c CB -0.634 42.110 42.510 0.391 0.000 2.495 151 c HN 0.864 nan 8.230 nan 0.000 0.606 152 R N 2.635 123.197 120.500 0.103 0.000 2.437 152 R HA 0.221 4.564 4.340 0.004 0.000 0.257 152 R C -0.380 175.976 176.300 0.094 0.000 0.927 152 R CA 0.032 56.192 56.100 0.101 0.000 1.078 152 R CB 0.251 30.612 30.300 0.102 0.000 1.161 152 R HN 0.761 nan 8.270 nan 0.000 0.529 153 D N 0.198 120.658 120.400 0.100 0.000 2.478 153 D HA 0.179 4.821 4.640 0.004 0.000 0.240 153 D C -2.311 174.079 176.300 0.149 0.000 1.364 153 D CA -1.795 52.261 54.000 0.093 0.000 0.987 153 D CB 2.225 43.047 40.800 0.036 0.000 1.328 153 D HN -0.256 nan 8.370 nan 0.000 0.584 154 P HA -0.110 nan 4.420 nan 0.000 0.221 154 P C 0.947 178.326 177.300 0.131 0.000 1.141 154 P CA 0.913 64.114 63.100 0.169 0.000 0.794 154 P CB 0.213 32.048 31.700 0.225 0.000 0.764 155 R N -2.946 117.604 120.500 0.083 0.000 2.339 155 R HA -0.052 4.291 4.340 0.004 0.000 0.199 155 R C 0.453 176.824 176.300 0.118 0.000 1.018 155 R CA -0.010 56.115 56.100 0.042 0.000 1.036 155 R CB -0.318 29.977 30.300 -0.008 0.000 0.899 155 R HN 0.263 nan 8.270 nan 0.000 0.473 156 W N 1.101 122.376 121.300 -0.043 0.000 2.345 156 W HA 0.188 4.850 4.660 0.004 0.000 0.308 156 W C 1.092 177.578 176.519 -0.055 0.000 1.273 156 W CA -1.242 56.075 57.345 -0.047 0.000 1.243 156 W CB 0.584 30.028 29.460 -0.027 0.000 1.260 156 W HN 0.055 nan 8.180 nan 0.000 0.509 157 G N 4.933 113.613 108.800 -0.202 0.000 2.527 157 G HA2 -0.234 3.728 3.960 0.004 0.000 0.219 157 G HA3 -0.234 3.728 3.960 0.004 0.000 0.219 157 G C 1.148 175.743 174.900 -0.508 0.000 1.117 157 G CA 0.382 45.293 45.100 -0.314 0.000 0.759 157 G HN 0.565 nan 8.290 nan 0.000 0.556 158 R N -0.877 118.881 120.500 -1.236 0.000 2.546 158 R HA 0.212 4.554 4.340 0.004 0.000 0.320 158 R C 1.395 176.941 176.300 -1.257 0.000 1.021 158 R CA -0.293 54.900 56.100 -1.512 0.000 1.088 158 R CB -0.355 28.801 30.300 -1.906 0.000 1.278 158 R HN 0.273 nan 8.270 nan 0.000 0.557 159 c N 1.238 119.491 118.600 -0.578 0.000 2.435 159 c HA -0.136 4.437 4.570 0.004 0.000 0.279 159 c C 2.445 176.463 174.090 -0.119 0.000 1.321 159 c CA 0.720 57.000 56.329 -0.082 0.000 1.752 159 c CB -0.714 41.884 42.510 0.147 0.000 1.959 159 c HN 0.684 nan 8.230 nan 0.000 0.500 160 Y N 0.936 121.158 120.300 -0.129 0.000 2.497 160 Y HA 0.082 4.635 4.550 0.004 0.000 0.292 160 Y C 1.800 177.552 175.900 -0.247 0.000 1.137 160 Y CA 1.222 59.220 58.100 -0.171 0.000 1.285 160 Y CB -1.329 36.995 38.460 -0.226 0.000 0.991 160 Y HN 0.381 nan 8.280 nan 0.000 0.556 161 E N 0.412 120.342 120.200 -0.450 0.000 2.489 161 E HA 0.045 4.398 4.350 0.004 0.000 0.193 161 E C 0.131 176.561 176.600 -0.284 0.000 1.057 161 E CA 0.284 56.480 56.400 -0.341 0.000 0.866 161 E CB 0.207 29.648 29.700 -0.432 0.000 0.916 161 E HN 0.265 nan 8.360 nan 0.000 0.500 162 S N -0.383 115.206 115.700 -0.186 0.000 2.437 162 S HA 0.160 4.633 4.470 0.004 0.000 0.305 162 S C 0.503 175.040 174.600 -0.106 0.000 1.109 162 S CA -0.636 57.513 58.200 -0.084 0.000 1.099 162 S CB 0.446 63.717 63.200 0.118 0.000 1.004 162 S HN 0.064 nan 8.310 nan 0.000 0.475 163 Y N 3.439 123.733 120.300 -0.010 0.000 2.165 163 Y HA 0.064 4.617 4.550 0.004 0.000 0.286 163 Y C 1.695 177.560 175.900 -0.058 0.000 1.155 163 Y CA 1.294 59.366 58.100 -0.046 0.000 1.164 163 Y CB -0.046 38.389 38.460 -0.040 0.000 0.978 163 Y HN 0.654 nan 8.280 nan 0.000 0.513 164 S N -1.812 113.973 115.700 0.141 0.000 2.636 164 S HA 0.194 4.666 4.470 0.004 0.000 0.268 164 S C 0.084 174.739 174.600 0.092 0.000 1.159 164 S CA -0.278 57.971 58.200 0.081 0.000 0.815 164 S CB 0.764 64.007 63.200 0.071 0.000 1.130 164 S HN 0.349 nan 8.310 nan 0.000 0.471 165 E N 0.480 120.729 120.200 0.081 0.000 2.474 165 E HA 0.138 4.490 4.350 0.004 0.000 0.194 165 E C -0.269 176.365 176.600 0.055 0.000 1.041 165 E CA -0.035 56.417 56.400 0.086 0.000 0.874 165 E CB 0.041 29.798 29.700 0.096 0.000 0.914 165 E HN 0.382 nan 8.360 nan 0.000 0.498 166 D N 1.284 121.712 120.400 0.047 0.000 2.373 166 D HA 0.056 4.699 4.640 0.004 0.000 0.227 166 D C 0.867 177.179 176.300 0.021 0.000 1.091 166 D CA -0.687 53.326 54.000 0.022 0.000 0.840 166 D CB 1.206 42.019 40.800 0.021 0.000 1.060 166 D HN 0.060 nan 8.370 nan 0.000 0.502 167 R N 3.598 124.101 120.500 0.005 0.000 2.152 167 R HA -0.053 4.289 4.340 0.004 0.000 0.232 167 R C 1.610 177.907 176.300 -0.006 0.000 1.117 167 R CA 1.125 57.228 56.100 0.004 0.000 0.981 167 R CB -0.509 29.783 30.300 -0.014 0.000 0.870 167 R HN 0.303 nan 8.270 nan 0.000 0.451 168 R N 0.379 120.874 120.500 -0.009 0.000 2.120 168 R HA 0.060 4.403 4.340 0.004 0.000 0.234 168 R C 2.064 178.349 176.300 -0.024 0.000 1.123 168 R CA 1.658 57.749 56.100 -0.015 0.000 0.975 168 R CB -0.355 29.939 30.300 -0.011 0.000 0.866 168 R HN 0.311 nan 8.270 nan 0.000 0.446 169 I N -0.275 120.286 120.570 -0.015 0.000 2.333 169 I HA -0.190 3.983 4.170 0.004 0.000 0.246 169 I C 2.061 178.137 176.117 -0.068 0.000 1.106 169 I CA 0.784 62.066 61.300 -0.031 0.000 1.411 169 I CB -0.103 37.898 38.000 0.002 0.000 1.082 169 I HN -0.048 nan 8.210 nan 0.000 0.420 170 V N 0.774 120.680 119.914 -0.013 0.000 2.407 170 V HA -0.297 3.826 4.120 0.004 0.000 0.248 170 V C 2.419 178.458 176.094 -0.092 0.000 1.055 170 V CA 1.783 64.085 62.300 0.003 0.000 1.049 170 V CB -0.782 31.092 31.823 0.084 0.000 0.662 170 V HN 0.481 nan 8.190 nan 0.000 0.455 171 Q N 0.509 120.266 119.800 -0.071 0.000 2.020 171 Q HA -0.197 4.146 4.340 0.004 0.000 0.202 171 Q C 2.535 178.467 176.000 -0.113 0.000 0.982 171 Q CA 2.127 57.882 55.803 -0.080 0.000 0.838 171 Q CB -0.430 28.280 28.738 -0.047 0.000 0.899 171 Q HN 0.795 nan 8.270 nan 0.000 0.423 172 S N 0.401 116.032 115.700 -0.115 0.000 2.400 172 S HA -0.129 4.343 4.470 0.004 0.000 0.232 172 S C 1.817 176.297 174.600 -0.200 0.000 1.025 172 S CA 1.022 59.147 58.200 -0.124 0.000 0.993 172 S CB -0.124 63.017 63.200 -0.098 0.000 0.808 172 S HN 0.217 nan 8.310 nan 0.000 0.478 173 M N 2.570 121.963 119.600 -0.345 0.000 2.618 173 M HA 0.072 4.555 4.480 0.004 0.000 0.240 173 M C 1.907 177.951 176.300 -0.425 0.000 1.123 173 M CA 1.172 56.121 55.300 -0.586 0.000 1.060 173 M CB -1.731 30.004 32.600 -1.442 0.000 1.535 173 M HN 0.686 nan 8.290 nan 0.000 0.507 174 T N -2.399 112.011 114.554 -0.240 0.000 3.155 174 T HA -0.051 4.301 4.350 0.004 0.000 0.264 174 T C 1.339 175.977 174.700 -0.103 0.000 1.160 174 T CA 0.647 62.668 62.100 -0.132 0.000 1.075 174 T CB -0.214 68.597 68.868 -0.094 0.000 0.921 174 T HN 0.222 nan 8.240 nan 0.000 0.533 175 E N 0.615 120.741 120.200 -0.124 0.000 2.401 175 E HA 0.005 4.358 4.350 0.004 0.000 0.199 175 E C 1.799 178.349 176.600 -0.083 0.000 1.023 175 E CA 0.225 56.574 56.400 -0.086 0.000 0.859 175 E CB -0.299 29.357 29.700 -0.074 0.000 0.780 175 E HN 0.493 nan 8.360 nan 0.000 0.523 176 L N 0.640 121.809 121.223 -0.091 0.000 2.083 176 L HA -0.148 4.194 4.340 0.004 0.000 0.209 176 L C 2.055 178.893 176.870 -0.054 0.000 1.083 176 L CA 1.206 56.003 54.840 -0.072 0.000 0.752 176 L CB -0.251 41.799 42.059 -0.016 0.000 0.899 176 L HN 0.051 nan 8.230 nan 0.000 0.433 177 I N -0.055 120.494 120.570 -0.036 0.000 2.118 177 I HA -0.256 3.916 4.170 0.004 0.000 0.241 177 I C -0.351 175.759 176.117 -0.012 0.000 1.070 177 I CA 1.554 62.844 61.300 -0.016 0.000 1.327 177 I CB -1.681 36.315 38.000 -0.006 0.000 1.034 177 I HN 0.252 nan 8.210 nan 0.000 0.405 178 P HA -0.086 nan 4.420 nan 0.000 0.222 178 P C 1.498 178.791 177.300 -0.012 0.000 1.147 178 P CA 1.395 64.486 63.100 -0.014 0.000 0.790 178 P CB -0.155 31.523 31.700 -0.037 0.000 0.780 179 G N -0.236 108.539 108.800 -0.041 0.000 2.404 179 G HA2 -0.183 3.780 3.960 0.004 0.000 0.215 179 G HA3 -0.183 3.780 3.960 0.004 0.000 0.215 179 G C 1.416 176.280 174.900 -0.061 0.000 1.174 179 G CA 0.469 45.529 45.100 -0.067 0.000 0.780 179 G HN 0.208 nan 8.290 nan 0.000 0.537 180 L N -0.283 120.906 121.223 -0.058 0.000 2.027 180 L HA -0.051 4.291 4.340 0.004 0.000 0.206 180 L C 3.100 179.955 176.870 -0.025 0.000 1.074 180 L CA 1.286 56.095 54.840 -0.051 0.000 0.745 180 L CB -0.335 41.698 42.059 -0.043 0.000 0.898 180 L HN 0.235 nan 8.230 nan 0.000 0.433 181 Q N -0.622 119.181 119.800 0.004 0.000 2.302 181 Q HA 0.237 4.580 4.340 0.004 0.000 0.202 181 Q C 0.642 176.686 176.000 0.072 0.000 0.936 181 Q CA 0.485 56.299 55.803 0.020 0.000 0.886 181 Q CB 0.674 29.450 28.738 0.064 0.000 0.986 181 Q HN 0.499 nan 8.270 nan 0.000 0.487 182 G N 1.266 110.131 108.800 0.108 0.000 2.587 182 G HA2 -0.126 3.837 3.960 0.004 0.000 0.686 182 G HA3 -0.126 3.837 3.960 0.004 0.000 0.686 182 G C -1.562 173.451 174.900 0.187 0.000 1.236 182 G CA -0.910 44.290 45.100 0.168 0.000 0.820 182 G HN 0.040 nan 8.290 nan 0.000 0.645 183 D N 0.145 120.582 120.400 0.061 0.000 2.389 183 D HA 0.363 5.005 4.640 0.004 0.000 0.247 183 D C 1.327 177.357 176.300 -0.450 0.000 1.128 183 D CA 0.537 54.460 54.000 -0.128 0.000 0.884 183 D CB 1.721 42.466 40.800 -0.091 0.000 1.194 183 D HN 0.983 nan 8.370 nan 0.000 0.441 184 V N 0.613 120.070 119.914 -0.762 0.000 2.775 184 V HA 0.343 4.466 4.120 0.004 0.000 0.299 184 V C -2.214 173.463 176.094 -0.696 0.000 1.062 184 V CA -1.532 59.960 62.300 -1.347 0.000 1.063 184 V CB 0.220 31.091 31.823 -1.587 0.000 0.994 184 V HN 0.325 nan 8.190 nan 0.000 0.483 185 P HA 0.097 nan 4.420 nan 0.000 0.267 185 P C 0.700 177.952 177.300 -0.080 0.000 1.201 185 P CA -0.124 62.865 63.100 -0.185 0.000 0.775 185 P CB 0.442 32.108 31.700 -0.057 0.000 0.854 186 K N 1.734 122.112 120.400 -0.037 0.000 2.211 186 K HA -0.228 4.095 4.320 0.004 0.000 0.204 186 K C 1.086 177.701 176.600 0.026 0.000 1.047 186 K CA 2.245 58.526 56.287 -0.010 0.000 0.935 186 K CB -0.236 32.258 32.500 -0.010 0.000 0.728 186 K HN 0.575 nan 8.250 nan 0.000 0.452 187 D N -0.448 119.978 120.400 0.043 0.000 2.085 187 D HA -0.188 4.454 4.640 0.004 0.000 0.199 187 D C 0.383 176.732 176.300 0.082 0.000 0.981 187 D CA 0.052 54.080 54.000 0.046 0.000 0.834 187 D CB -0.498 40.324 40.800 0.037 0.000 0.992 187 D HN 0.100 nan 8.370 nan 0.000 0.457 188 F N 1.594 121.504 119.950 -0.068 0.000 1.941 188 F HA -0.196 4.334 4.527 0.004 0.000 0.388 188 F C -0.206 175.565 175.800 -0.048 0.000 0.684 188 F CA 0.484 58.441 58.000 -0.073 0.000 0.930 188 F CB 0.044 38.962 39.000 -0.136 0.000 0.799 188 F HN -0.026 nan 8.300 nan 0.000 0.561 189 T N 6.296 120.373 114.554 -0.795 0.000 2.799 189 T HA 0.262 4.615 4.350 0.004 0.000 0.286 189 T C -0.076 174.263 174.700 -0.601 0.000 0.973 189 T CA -0.254 61.530 62.100 -0.526 0.000 1.035 189 T CB 1.348 69.982 68.868 -0.391 0.000 0.932 189 T HN 0.772 nan 8.240 nan 0.000 0.469 190 S N 2.116 117.691 115.700 -0.209 0.000 2.525 190 S HA 0.397 4.869 4.470 0.004 0.000 0.285 190 S C 1.481 176.039 174.600 -0.070 0.000 1.283 190 S CA 0.882 59.050 58.200 -0.052 0.000 1.072 190 S CB -0.593 62.609 63.200 0.004 0.000 0.867 190 S HN 1.166 nan 8.310 nan 0.000 0.492 191 G N 4.459 113.282 108.800 0.038 0.000 2.253 191 G HA2 -0.176 3.786 3.960 0.004 0.000 0.209 191 G HA3 -0.176 3.786 3.960 0.004 0.000 0.209 191 G C 0.166 175.088 174.900 0.036 0.000 0.997 191 G CA -0.058 45.095 45.100 0.088 0.000 0.640 191 G HN 0.608 nan 8.290 nan 0.000 0.496 192 M N 1.497 121.026 119.600 -0.118 0.000 2.241 192 M HA 0.403 4.886 4.480 0.004 0.000 0.335 192 M C -2.289 174.184 176.300 0.288 0.000 1.122 192 M CA -2.187 53.066 55.300 -0.078 0.000 1.164 192 M CB 0.242 32.624 32.600 -0.364 0.000 1.459 192 M HN -0.028 nan 8.290 nan 0.000 0.461 193 P HA 0.469 nan 4.420 nan 0.000 0.279 193 P C -1.371 176.178 177.300 0.416 0.000 1.252 193 P CA -0.276 62.976 63.100 0.253 0.000 0.811 193 P CB 0.805 32.548 31.700 0.072 0.000 1.035 194 F N 0.891 120.908 119.950 0.112 0.000 2.665 194 F HA 0.591 5.120 4.527 0.003 0.000 0.308 194 F C -1.930 173.860 175.800 -0.016 0.000 1.112 194 F CA -0.555 57.464 58.000 0.030 0.000 0.972 194 F CB 1.499 40.404 39.000 -0.158 0.000 1.295 194 F HN 0.043 nan 8.300 nan 0.000 0.440 195 V N 5.148 124.420 119.914 -1.069 0.000 2.775 195 V HA 0.435 4.557 4.120 0.004 0.000 0.295 195 V C 0.336 175.827 176.094 -1.005 0.000 1.226 195 V CA -0.237 61.632 62.300 -0.718 0.000 0.934 195 V CB 0.955 32.591 31.823 -0.313 0.000 1.056 195 V HN 1.094 nan 8.190 nan 0.000 0.436 196 A N 3.376 125.770 122.820 -0.710 0.000 1.865 196 A HA 0.473 4.795 4.320 0.004 0.000 0.217 196 A C 1.220 178.684 177.584 -0.200 0.000 1.191 196 A CA 2.093 53.915 52.037 -0.357 0.000 0.623 196 A CB -0.298 18.686 19.000 -0.027 0.000 0.826 196 A HN 1.824 nan 8.150 nan 0.000 0.444 197 G N -2.245 106.472 108.800 -0.139 0.000 2.428 197 G HA2 0.354 4.317 3.960 0.004 0.000 0.305 197 G HA3 0.354 4.317 3.960 0.004 0.000 0.305 197 G C 0.231 175.104 174.900 -0.044 0.000 1.260 197 G CA 0.095 45.152 45.100 -0.071 0.000 0.853 197 G HN 0.378 nan 8.290 nan 0.000 0.480 198 K N -0.628 119.764 120.400 -0.013 0.000 2.520 198 K HA 0.002 4.325 4.320 0.004 0.000 0.197 198 K C 0.962 177.561 176.600 -0.003 0.000 1.043 198 K CA 1.792 58.079 56.287 -0.001 0.000 0.944 198 K CB -0.121 32.390 32.500 0.018 0.000 0.770 198 K HN 0.288 nan 8.250 nan 0.000 0.480 199 N N -0.206 118.489 118.700 -0.008 0.000 2.236 199 N HA 0.067 4.809 4.740 0.004 0.000 0.196 199 N C -0.581 174.919 175.510 -0.017 0.000 1.114 199 N CA -0.154 52.893 53.050 -0.005 0.000 0.859 199 N CB 0.487 38.977 38.487 0.006 0.000 0.982 199 N HN 0.011 nan 8.380 nan 0.000 0.493 200 K N 0.504 120.886 120.400 -0.031 0.000 2.346 200 K HA 0.574 4.897 4.320 0.004 0.000 0.238 200 K C -0.573 176.002 176.600 -0.042 0.000 1.039 200 K CA -0.826 55.437 56.287 -0.041 0.000 0.861 200 K CB 1.865 34.331 32.500 -0.056 0.000 1.278 200 K HN -0.163 nan 8.250 nan 0.000 0.460 201 V N -2.601 117.290 119.914 -0.038 0.000 3.007 201 V HA 0.806 4.929 4.120 0.004 0.000 0.311 201 V C -0.430 175.658 176.094 -0.010 0.000 1.120 201 V CA -1.357 60.933 62.300 -0.017 0.000 0.980 201 V CB 1.595 33.416 31.823 -0.005 0.000 1.033 201 V HN 0.771 nan 8.190 nan 0.000 0.429 202 A N 2.060 124.882 122.820 0.004 0.000 2.440 202 A HA 0.862 5.185 4.320 0.004 0.000 0.251 202 A C 0.535 178.187 177.584 0.112 0.000 1.089 202 A CA 0.330 52.353 52.037 -0.023 0.000 0.779 202 A CB 0.265 19.146 19.000 -0.198 0.000 1.022 202 A HN 2.211 nan 8.150 nan 0.000 0.492 203 A N 0.705 123.575 122.820 0.084 0.000 2.263 203 A HA 0.690 5.012 4.320 0.004 0.000 0.318 203 A C -0.231 177.468 177.584 0.191 0.000 1.111 203 A CA -0.204 51.906 52.037 0.121 0.000 0.901 203 A CB 0.773 19.806 19.000 0.054 0.000 1.280 203 A HN 1.812 nan 8.150 nan 0.000 0.503 204 C N 0.077 119.473 119.300 0.160 0.000 2.607 204 C HA 0.703 5.166 4.460 0.004 0.000 0.350 204 C C 0.041 175.069 174.990 0.064 0.000 1.101 204 C CA 0.013 59.132 59.018 0.169 0.000 1.282 204 C CB -0.092 27.832 27.740 0.306 0.000 1.825 204 C HN 1.286 nan 8.230 nan 0.000 0.460 205 A N 6.466 129.309 122.820 0.039 0.000 2.269 205 A HA 0.699 5.022 4.320 0.004 0.000 0.302 205 A C -0.210 177.445 177.584 0.118 0.000 1.266 205 A CA -0.224 51.839 52.037 0.042 0.000 0.894 205 A CB 0.146 19.184 19.000 0.064 0.000 1.147 205 A HN 0.931 nan 8.150 nan 0.000 0.537 206 K N 2.123 122.519 120.400 -0.006 0.000 2.443 206 K HA 0.683 5.005 4.320 0.004 0.000 0.251 206 K C -1.592 174.945 176.600 -0.105 0.000 0.972 206 K CA -0.931 55.280 56.287 -0.128 0.000 0.833 206 K CB 1.334 33.489 32.500 -0.576 0.000 1.317 206 K HN 0.628 nan 8.250 nan 0.000 0.441 207 H N 0.917 120.135 119.070 0.246 0.000 2.595 207 H HA 0.259 4.818 4.556 0.005 0.000 0.313 207 H C -1.420 174.031 175.328 0.205 0.000 1.023 207 H CA -0.624 55.537 56.048 0.189 0.000 1.218 207 H CB 0.648 30.477 29.762 0.112 0.000 1.403 207 H HN 0.476 nan 8.280 nan 0.000 0.477 208 F N 4.556 124.527 119.950 0.036 0.000 2.538 208 F HA 0.267 4.797 4.527 0.005 0.000 0.382 208 F C -0.243 175.460 175.800 -0.162 0.000 1.069 208 F CA 0.275 58.118 58.000 -0.261 0.000 1.138 208 F CB -0.074 38.636 39.000 -0.484 0.000 1.068 208 F HN 0.337 nan 8.300 nan 0.000 0.556 209 V N 5.594 125.186 119.914 -0.537 0.000 3.048 209 V HA 0.656 4.778 4.120 0.004 0.000 0.303 209 V C 0.028 175.891 176.094 -0.385 0.000 1.214 209 V CA 0.034 61.983 62.300 -0.584 0.000 0.984 209 V CB 1.666 32.720 31.823 -1.282 0.000 1.054 209 V HN 1.113 nan 8.190 nan 0.000 0.430 210 G N 4.202 112.830 108.800 -0.286 0.000 2.132 210 G HA2 -0.202 3.761 3.960 0.004 0.000 0.234 210 G HA3 -0.202 3.761 3.960 0.004 0.000 0.234 210 G C 0.366 174.957 174.900 -0.515 0.000 0.989 210 G CA 0.658 45.409 45.100 -0.581 0.000 0.676 210 G HN 1.217 nan 8.290 nan 0.000 0.522 211 D N 0.300 120.538 120.400 -0.269 0.000 2.218 211 D HA -0.009 4.633 4.640 0.004 0.000 0.204 211 D C 1.900 177.775 176.300 -0.707 0.000 0.976 211 D CA 1.247 55.097 54.000 -0.250 0.000 0.853 211 D CB -0.791 40.072 40.800 0.105 0.000 0.939 211 D HN 0.784 nan 8.370 nan 0.000 0.481 212 G N -0.249 108.184 108.800 -0.611 0.000 3.383 212 G HA2 0.352 4.314 3.960 0.004 0.000 0.251 212 G HA3 0.352 4.314 3.960 0.004 0.000 0.251 212 G C 0.885 175.477 174.900 -0.513 0.000 1.203 212 G CA 0.014 44.677 45.100 -0.729 0.000 0.852 212 G HN 0.436 nan 8.290 nan 0.000 0.531 213 G N 0.534 108.967 108.800 -0.611 0.000 4.379 213 G HA2 0.349 4.312 3.960 0.004 0.000 0.290 213 G HA3 0.349 4.312 3.960 0.004 0.000 0.290 213 G C 0.483 175.231 174.900 -0.253 0.000 1.065 213 G CA 0.132 45.044 45.100 -0.313 0.000 0.833 213 G HN 0.379 nan 8.290 nan 0.000 0.512 214 T N -1.573 112.761 114.554 -0.368 0.000 2.913 214 T HA 0.438 4.791 4.350 0.004 0.000 0.297 214 T C 0.623 175.231 174.700 -0.153 0.000 1.029 214 T CA -0.537 61.417 62.100 -0.243 0.000 1.104 214 T CB 2.271 70.969 68.868 -0.283 0.000 0.964 214 T HN 0.435 nan 8.240 nan 0.000 0.532 215 V N 3.180 123.041 119.914 -0.088 0.000 2.557 215 V HA 0.104 4.227 4.120 0.004 0.000 0.301 215 V C 0.191 176.254 176.094 -0.052 0.000 1.026 215 V CA 0.603 62.870 62.300 -0.056 0.000 1.137 215 V CB -1.159 30.640 31.823 -0.040 0.000 0.917 215 V HN 1.063 nan 8.190 nan 0.000 0.484 216 D N 3.985 124.362 120.400 -0.040 0.000 2.983 216 D HA -0.191 4.452 4.640 0.004 0.000 0.225 216 D C 1.091 177.379 176.300 -0.020 0.000 1.174 216 D CA 1.929 55.911 54.000 -0.030 0.000 0.831 216 D CB -1.552 39.232 40.800 -0.027 0.000 1.104 216 D HN 1.791 nan 8.370 nan 0.000 0.421 217 G N -0.479 108.294 108.800 -0.044 0.000 2.203 217 G HA2 -0.348 3.615 3.960 0.004 0.000 0.263 217 G HA3 -0.348 3.615 3.960 0.004 0.000 0.263 217 G C 0.390 175.321 174.900 0.052 0.000 1.012 217 G CA 0.298 45.385 45.100 -0.022 0.000 0.749 217 G HN 0.605 nan 8.290 nan 0.000 0.512 218 I N 0.794 121.363 120.570 -0.002 0.000 2.452 218 I HA 0.053 4.226 4.170 0.004 0.000 0.287 218 I C 1.145 177.308 176.117 0.078 0.000 1.079 218 I CA -0.255 61.074 61.300 0.047 0.000 1.387 218 I CB 0.560 38.565 38.000 0.007 0.000 1.404 218 I HN 0.277 nan 8.210 nan 0.000 0.522 219 N N 5.937 124.776 118.700 0.232 0.000 2.454 219 N HA -0.053 4.690 4.740 0.004 0.000 0.254 219 N C 0.206 175.823 175.510 0.179 0.000 1.228 219 N CA 0.077 53.338 53.050 0.352 0.000 0.900 219 N CB 0.424 39.115 38.487 0.341 0.000 1.089 219 N HN 0.667 nan 8.380 nan 0.000 0.449 220 E N -0.920 119.403 120.200 0.205 0.000 3.370 220 E HA -0.344 4.009 4.350 0.004 0.000 0.291 220 E C -0.327 176.321 176.600 0.080 0.000 0.916 220 E CA 0.445 56.939 56.400 0.157 0.000 0.981 220 E CB -1.285 28.456 29.700 0.069 0.000 1.498 220 E HN 0.660 nan 8.360 nan 0.000 0.452 221 N N 0.279 118.998 118.700 0.032 0.000 2.547 221 N HA 0.154 4.897 4.740 0.004 0.000 0.301 221 N C -0.081 175.425 175.510 -0.007 0.000 1.328 221 N CA -0.476 52.577 53.050 0.006 0.000 0.932 221 N CB 0.551 39.029 38.487 -0.014 0.000 1.104 221 N HN -0.052 nan 8.380 nan 0.000 0.548 222 N N -0.639 118.050 118.700 -0.018 0.000 2.456 222 N HA 0.200 4.943 4.740 0.004 0.000 0.288 222 N C -1.618 173.874 175.510 -0.030 0.000 1.059 222 N CA 0.126 53.168 53.050 -0.014 0.000 0.946 222 N CB 1.041 39.517 38.487 -0.017 0.000 1.150 222 N HN 0.226 nan 8.380 nan 0.000 0.479 223 T N 4.030 118.587 114.554 0.004 0.000 2.929 223 T HA 0.386 4.739 4.350 0.004 0.000 0.331 223 T C 0.312 175.057 174.700 0.075 0.000 1.120 223 T CA -0.353 61.764 62.100 0.029 0.000 0.973 223 T CB -0.444 68.447 68.868 0.038 0.000 1.036 223 T HN 0.361 nan 8.240 nan 0.000 0.502 224 I N 5.152 125.731 120.570 0.014 0.000 2.308 224 I HA 0.515 4.687 4.170 0.004 0.000 0.293 224 I C -0.002 176.129 176.117 0.024 0.000 1.078 224 I CA -0.155 61.129 61.300 -0.027 0.000 1.292 224 I CB 0.244 38.217 38.000 -0.044 0.000 1.423 224 I HN 0.536 nan 8.210 nan 0.000 0.493 225 I N 5.728 126.322 120.570 0.041 0.000 2.746 225 I HA 0.185 4.358 4.170 0.004 0.000 0.290 225 I C -0.997 175.208 176.117 0.147 0.000 1.600 225 I CA -0.711 60.655 61.300 0.111 0.000 1.019 225 I CB 1.780 39.898 38.000 0.196 0.000 1.426 225 I HN 0.657 nan 8.210 nan 0.000 0.460 226 N N 5.892 124.649 118.700 0.095 0.000 2.307 226 N HA 0.022 4.765 4.740 0.004 0.000 0.230 226 N C 0.812 176.479 175.510 0.261 0.000 1.297 226 N CA -0.215 52.897 53.050 0.104 0.000 0.884 226 N CB 0.444 38.962 38.487 0.052 0.000 1.115 226 N HN 0.695 nan 8.380 nan 0.000 0.436 227 R N -0.124 120.551 120.500 0.291 0.000 2.152 227 R HA -0.156 4.186 4.340 0.004 0.000 0.232 227 R C 0.943 177.307 176.300 0.108 0.000 1.117 227 R CA 1.153 57.456 56.100 0.339 0.000 0.981 227 R CB -0.073 30.388 30.300 0.269 0.000 0.870 227 R HN 0.671 nan 8.270 nan 0.000 0.451 228 E N -0.500 119.745 120.200 0.074 0.000 2.051 228 E HA -0.133 4.219 4.350 0.004 0.000 0.192 228 E C 1.898 178.500 176.600 0.002 0.000 0.991 228 E CA 1.469 57.883 56.400 0.023 0.000 0.799 228 E CB -0.338 29.374 29.700 0.020 0.000 0.748 228 E HN 0.567 nan 8.360 nan 0.000 0.449 229 G N 2.084 110.898 108.800 0.023 0.000 2.408 229 G HA2 -0.198 3.765 3.960 0.004 0.000 0.217 229 G HA3 -0.198 3.765 3.960 0.004 0.000 0.217 229 G C 1.550 176.414 174.900 -0.060 0.000 1.150 229 G CA 0.241 45.329 45.100 -0.019 0.000 0.776 229 G HN 0.160 nan 8.290 nan 0.000 0.542 230 L N 0.312 121.545 121.223 0.017 0.000 2.042 230 L HA -0.013 4.330 4.340 0.004 0.000 0.210 230 L C 2.501 179.282 176.870 -0.148 0.000 1.076 230 L CA 1.796 56.595 54.840 -0.068 0.000 0.749 230 L CB -0.465 41.432 42.059 -0.271 0.000 0.893 230 L HN 0.195 nan 8.230 nan 0.000 0.432 231 M N -1.125 118.394 119.600 -0.135 0.000 2.447 231 M HA -0.064 4.418 4.480 0.004 0.000 0.264 231 M C 1.776 178.044 176.300 -0.054 0.000 1.095 231 M CA 0.853 56.087 55.300 -0.109 0.000 1.125 231 M CB -1.366 31.163 32.600 -0.118 0.000 1.389 231 M HN 0.319 nan 8.290 nan 0.000 0.459 232 N N 0.840 119.500 118.700 -0.067 0.000 2.336 232 N HA 0.085 4.828 4.740 0.004 0.000 0.177 232 N C 1.406 176.861 175.510 -0.091 0.000 1.018 232 N CA 0.924 53.938 53.050 -0.059 0.000 0.878 232 N CB 0.401 38.856 38.487 -0.054 0.000 0.997 232 N HN 0.290 nan 8.380 nan 0.000 0.433 233 I N -1.571 118.892 120.570 -0.178 0.000 3.132 233 I HA 0.027 4.200 4.170 0.004 0.000 0.255 233 I C 1.096 177.074 176.117 -0.232 0.000 1.118 233 I CA 0.331 61.465 61.300 -0.276 0.000 1.463 233 I CB -0.177 37.513 38.000 -0.517 0.000 1.356 233 I HN 0.119 nan 8.210 nan 0.000 0.463 234 H N -0.403 118.652 119.070 -0.025 0.000 2.551 234 H HA 0.070 4.629 4.556 0.004 0.000 0.266 234 H C 1.742 177.109 175.328 0.065 0.000 0.964 234 H CA 0.575 56.618 56.048 -0.009 0.000 1.180 234 H CB 0.431 30.149 29.762 -0.073 0.000 1.408 234 H HN 0.196 nan 8.280 nan 0.000 0.563 235 M N 0.517 120.197 119.600 0.133 0.000 2.552 235 M HA 0.165 4.647 4.480 0.004 0.000 0.264 235 M C -1.282 175.176 176.300 0.264 0.000 1.159 235 M CA -0.064 55.377 55.300 0.234 0.000 1.176 235 M CB -0.066 32.591 32.600 0.094 0.000 1.327 235 M HN -0.080 nan 8.290 nan 0.000 0.481 236 P HA -0.247 nan 4.420 nan 0.000 0.218 236 P C 1.163 178.504 177.300 0.068 0.000 1.165 236 P CA 2.678 65.833 63.100 0.091 0.000 0.922 236 P CB -0.336 31.386 31.700 0.037 0.000 0.794 237 A N -2.175 120.644 122.820 -0.003 0.000 2.032 237 A HA -0.250 4.072 4.320 0.004 0.000 0.221 237 A C 2.011 179.511 177.584 -0.140 0.000 1.165 237 A CA 1.630 53.604 52.037 -0.105 0.000 0.645 237 A CB -1.879 17.006 19.000 -0.192 0.000 0.807 237 A HN 0.193 nan 8.150 nan 0.000 0.453 238 Y N -0.208 120.130 120.300 0.064 0.000 2.293 238 Y HA -0.154 4.399 4.550 0.004 0.000 0.291 238 Y C 2.388 178.292 175.900 0.007 0.000 1.137 238 Y CA 1.763 59.886 58.100 0.038 0.000 1.202 238 Y CB -0.221 38.308 38.460 0.115 0.000 0.990 238 Y HN 0.348 nan 8.280 nan 0.000 0.537 239 K N 0.841 121.339 120.400 0.163 0.000 2.097 239 K HA -0.144 4.178 4.320 0.004 0.000 0.205 239 K C 1.371 178.006 176.600 0.058 0.000 1.050 239 K CA 1.891 58.234 56.287 0.094 0.000 0.938 239 K CB -0.369 32.184 32.500 0.088 0.000 0.718 239 K HN 0.247 nan 8.250 nan 0.000 0.442 240 N N 0.262 118.982 118.700 0.034 0.000 2.166 240 N HA -0.089 4.654 4.740 0.004 0.000 0.186 240 N C 1.567 177.086 175.510 0.014 0.000 1.019 240 N CA 1.390 54.446 53.050 0.010 0.000 0.856 240 N CB -0.311 38.163 38.487 -0.022 0.000 0.993 240 N HN 0.335 nan 8.380 nan 0.000 0.426 241 A N 0.809 123.633 122.820 0.007 0.000 1.902 241 A HA -0.113 4.210 4.320 0.004 0.000 0.217 241 A C 2.042 179.669 177.584 0.072 0.000 1.181 241 A CA 1.176 53.223 52.037 0.016 0.000 0.623 241 A CB -0.340 18.654 19.000 -0.010 0.000 0.818 241 A HN 0.097 nan 8.150 nan 0.000 0.443 242 M N 0.175 119.825 119.600 0.084 0.000 2.067 242 M HA -0.133 4.350 4.480 0.004 0.000 0.260 242 M C 1.494 177.900 176.300 0.177 0.000 1.069 242 M CA 1.497 56.878 55.300 0.134 0.000 1.117 242 M CB -1.635 31.018 32.600 0.088 0.000 1.334 242 M HN 0.356 nan 8.290 nan 0.000 0.407 243 D N 0.599 121.073 120.400 0.124 0.000 2.182 243 D HA -0.136 4.506 4.640 0.004 0.000 0.201 243 D C 1.563 177.961 176.300 0.162 0.000 0.986 243 D CA 1.178 55.263 54.000 0.141 0.000 0.847 243 D CB -0.209 40.635 40.800 0.073 0.000 0.942 243 D HN 0.416 nan 8.370 nan 0.000 0.467 244 K N -0.340 120.114 120.400 0.089 0.000 2.417 244 K HA 0.220 4.542 4.320 0.004 0.000 0.196 244 K C 0.825 177.407 176.600 -0.030 0.000 1.023 244 K CA 0.277 56.560 56.287 -0.007 0.000 1.122 244 K CB 0.707 33.194 32.500 -0.022 0.000 0.850 244 K HN 0.075 nan 8.250 nan 0.000 0.521 245 G N 1.937 110.846 108.800 0.181 0.000 2.256 245 G HA2 -0.238 3.725 3.960 0.004 0.000 0.272 245 G HA3 -0.238 3.725 3.960 0.004 0.000 0.272 245 G C 0.029 175.070 174.900 0.234 0.000 1.076 245 G CA 0.099 45.374 45.100 0.293 0.000 0.882 245 G HN 0.238 nan 8.290 nan 0.000 0.497 246 V N 0.241 120.271 119.914 0.193 0.000 2.673 246 V HA 0.353 4.476 4.120 0.004 0.000 0.303 246 V C 1.638 177.866 176.094 0.223 0.000 1.046 246 V CA 1.353 63.742 62.300 0.149 0.000 1.126 246 V CB 1.235 33.105 31.823 0.078 0.000 0.934 246 V HN 0.513 nan 8.190 nan 0.000 0.487 247 S N 3.309 119.079 115.700 0.116 0.000 2.414 247 S HA 0.020 4.493 4.470 0.004 0.000 0.227 247 S C 0.658 175.230 174.600 -0.047 0.000 1.022 247 S CA 1.058 59.273 58.200 0.024 0.000 0.958 247 S CB -0.053 63.079 63.200 -0.114 0.000 0.797 247 S HN 1.065 nan 8.310 nan 0.000 0.493 248 T N -1.913 112.627 114.554 -0.023 0.000 2.841 248 T HA 0.726 5.078 4.350 0.004 0.000 0.296 248 T C -1.169 173.518 174.700 -0.022 0.000 1.166 248 T CA -0.752 61.309 62.100 -0.064 0.000 1.007 248 T CB 1.901 70.515 68.868 -0.424 0.000 1.253 248 T HN -0.183 nan 8.240 nan 0.000 0.511 249 V N 1.663 121.542 119.914 -0.059 0.000 2.668 249 V HA 0.546 4.669 4.120 0.004 0.000 0.304 249 V C -0.556 175.526 176.094 -0.021 0.000 1.071 249 V CA -0.831 61.373 62.300 -0.160 0.000 0.894 249 V CB 1.883 33.374 31.823 -0.553 0.000 1.008 249 V HN 1.076 nan 8.190 nan 0.000 0.425 250 M N 5.338 124.950 119.600 0.019 0.000 2.363 250 M HA 0.588 5.070 4.480 0.004 0.000 0.343 250 M C -0.955 175.366 176.300 0.036 0.000 1.165 250 M CA -0.597 54.722 55.300 0.032 0.000 1.046 250 M CB 1.113 33.714 32.600 0.003 0.000 1.648 250 M HN 0.437 nan 8.290 nan 0.000 0.452 251 I N 2.204 122.752 120.570 -0.037 0.000 2.662 251 I HA 0.209 4.381 4.170 0.004 0.000 0.291 251 I C 0.486 176.561 176.117 -0.071 0.000 1.046 251 I CA -0.048 61.174 61.300 -0.129 0.000 1.361 251 I CB 1.242 38.943 38.000 -0.499 0.000 1.429 251 I HN 0.656 nan 8.210 nan 0.000 0.558 252 S N 2.927 118.629 115.700 0.002 0.000 2.586 252 S HA 0.248 4.721 4.470 0.004 0.000 0.274 252 S C 0.825 175.541 174.600 0.194 0.000 1.281 252 S CA -0.201 58.048 58.200 0.081 0.000 1.035 252 S CB 0.463 63.718 63.200 0.093 0.000 0.962 252 S HN 0.356 nan 8.310 nan 0.000 0.512 253 Y N 2.505 122.937 120.300 0.219 0.000 2.293 253 Y HA -0.003 4.550 4.550 0.005 0.000 0.291 253 Y C 1.946 177.935 175.900 0.149 0.000 1.137 253 Y CA 0.876 59.098 58.100 0.203 0.000 1.202 253 Y CB -0.894 37.632 38.460 0.109 0.000 0.990 253 Y HN 0.688 nan 8.280 nan 0.000 0.537 254 S N -0.126 115.721 115.700 0.245 0.000 2.576 254 S HA 0.220 4.693 4.470 0.004 0.000 0.272 254 S C 0.321 174.992 174.600 0.118 0.000 1.352 254 S CA -0.672 57.604 58.200 0.127 0.000 1.021 254 S CB 1.073 64.287 63.200 0.023 0.000 0.887 254 S HN 0.115 nan 8.310 nan 0.000 0.542 255 S N 0.358 116.114 115.700 0.094 0.000 2.681 255 S HA 0.587 5.059 4.470 0.004 0.000 0.299 255 S C -1.289 173.404 174.600 0.156 0.000 1.113 255 S CA -0.650 57.619 58.200 0.115 0.000 1.013 255 S CB 0.763 64.014 63.200 0.084 0.000 1.076 255 S HN 0.860 nan 8.310 nan 0.000 0.534 256 W N 2.685 123.955 121.300 -0.050 0.000 2.453 256 W HA 0.455 5.118 4.660 0.005 0.000 0.310 256 W C -0.721 175.770 176.519 -0.046 0.000 1.000 256 W CA -0.743 56.561 57.345 -0.069 0.000 1.367 256 W CB -0.445 28.956 29.460 -0.098 0.000 1.269 256 W HN 0.733 nan 8.180 nan 0.000 0.418 257 N N 4.296 122.798 118.700 -0.330 0.000 2.726 257 N HA -0.166 4.576 4.740 0.004 0.000 0.253 257 N C 0.983 176.357 175.510 -0.226 0.000 1.059 257 N CA 2.006 54.812 53.050 -0.407 0.000 0.701 257 N CB -1.236 36.784 38.487 -0.778 0.000 0.899 257 N HN 1.293 nan 8.380 nan 0.000 0.548 258 G N -2.536 106.199 108.800 -0.108 0.000 2.284 258 G HA2 -0.369 3.594 3.960 0.004 0.000 0.261 258 G HA3 -0.369 3.594 3.960 0.004 0.000 0.261 258 G C 0.132 175.027 174.900 -0.007 0.000 0.997 258 G CA 0.579 45.648 45.100 -0.053 0.000 0.621 258 G HN 0.585 nan 8.290 nan 0.000 0.534 259 V N 2.277 122.195 119.914 0.006 0.000 2.407 259 V HA 0.440 4.563 4.120 0.004 0.000 0.278 259 V C 0.543 176.706 176.094 0.116 0.000 1.037 259 V CA -1.215 61.125 62.300 0.067 0.000 0.900 259 V CB 1.707 33.578 31.823 0.080 0.000 0.983 259 V HN 0.195 nan 8.190 nan 0.000 0.459 260 K N 4.756 125.231 120.400 0.125 0.000 2.416 260 K HA 0.206 4.529 4.320 0.004 0.000 0.283 260 K C 1.036 177.735 176.600 0.163 0.000 1.037 260 K CA -0.222 56.159 56.287 0.156 0.000 0.995 260 K CB 0.817 33.419 32.500 0.169 0.000 0.938 260 K HN 0.506 nan 8.250 nan 0.000 0.475 261 M N 1.753 121.449 119.600 0.160 0.000 2.149 261 M HA -0.155 4.327 4.480 0.004 0.000 0.261 261 M C 1.441 177.783 176.300 0.070 0.000 1.064 261 M CA 1.677 57.030 55.300 0.089 0.000 1.102 261 M CB -0.692 31.921 32.600 0.021 0.000 1.369 261 M HN 0.522 nan 8.290 nan 0.000 0.408 262 H N -1.028 118.095 119.070 0.089 0.000 2.567 262 H HA 0.136 4.695 4.556 0.004 0.000 0.276 262 H C 1.065 176.420 175.328 0.045 0.000 1.016 262 H CA 1.043 57.133 56.048 0.071 0.000 1.186 262 H CB 0.253 30.060 29.762 0.074 0.000 1.351 262 H HN 0.379 nan 8.280 nan 0.000 0.605 263 A N 0.184 123.088 122.820 0.140 0.000 2.653 263 A HA -0.001 4.322 4.320 0.004 0.000 0.248 263 A C 0.656 178.293 177.584 0.089 0.000 1.211 263 A CA -0.400 51.688 52.037 0.084 0.000 0.991 263 A CB 0.399 19.448 19.000 0.081 0.000 1.252 263 A HN 0.083 nan 8.150 nan 0.000 0.593 264 N N 1.450 120.213 118.700 0.105 0.000 2.508 264 N HA 0.031 4.773 4.740 0.004 0.000 0.253 264 N C 0.677 176.255 175.510 0.113 0.000 1.145 264 N CA 0.147 53.268 53.050 0.118 0.000 0.973 264 N CB 0.739 39.309 38.487 0.137 0.000 1.305 264 N HN 0.591 nan 8.380 nan 0.000 0.506 265 Q N 2.435 122.294 119.800 0.098 0.000 2.167 265 Q HA -0.129 4.214 4.340 0.004 0.000 0.202 265 Q C 0.379 176.445 176.000 0.109 0.000 0.970 265 Q CA 1.142 56.999 55.803 0.090 0.000 0.855 265 Q CB 0.317 29.096 28.738 0.068 0.000 0.911 265 Q HN 0.575 nan 8.270 nan 0.000 0.438 266 D N 0.370 120.843 120.400 0.122 0.000 2.104 266 D HA -0.182 4.461 4.640 0.004 0.000 0.194 266 D C 1.971 178.374 176.300 0.171 0.000 0.994 266 D CA 1.214 55.296 54.000 0.137 0.000 0.830 266 D CB -0.053 40.835 40.800 0.147 0.000 0.959 266 D HN 0.328 nan 8.370 nan 0.000 0.452 267 L N 0.369 121.698 121.223 0.176 0.000 2.049 267 L HA -0.085 4.258 4.340 0.004 0.000 0.203 267 L C 2.675 179.780 176.870 0.392 0.000 1.074 267 L CA 0.439 55.426 54.840 0.245 0.000 0.749 267 L CB -0.492 41.603 42.059 0.060 0.000 0.907 267 L HN -0.107 nan 8.230 nan 0.000 0.439 268 V N -0.454 119.641 119.914 0.302 0.000 2.237 268 V HA -0.266 3.856 4.120 0.004 0.000 0.245 268 V C 2.484 178.624 176.094 0.077 0.000 1.046 268 V CA 2.508 64.912 62.300 0.173 0.000 1.007 268 V CB -0.780 31.116 31.823 0.120 0.000 0.638 268 V HN 0.441 nan 8.190 nan 0.000 0.445 269 T N -0.107 114.500 114.554 0.089 0.000 2.814 269 T HA 0.046 4.399 4.350 0.004 0.000 0.254 269 T C 1.893 176.635 174.700 0.070 0.000 1.037 269 T CA 1.231 63.369 62.100 0.063 0.000 1.143 269 T CB -0.618 68.283 68.868 0.055 0.000 0.866 269 T HN 0.578 nan 8.240 nan 0.000 0.431 270 G N -0.093 108.769 108.800 0.104 0.000 2.459 270 G HA2 -0.222 3.741 3.960 0.004 0.000 0.217 270 G HA3 -0.222 3.741 3.960 0.004 0.000 0.217 270 G C 1.399 176.391 174.900 0.154 0.000 1.183 270 G CA 0.802 45.973 45.100 0.119 0.000 0.776 270 G HN 0.441 nan 8.290 nan 0.000 0.552 271 Y N 0.215 120.552 120.300 0.062 0.000 2.190 271 Y HA 0.212 4.765 4.550 0.005 0.000 0.290 271 Y C 2.529 178.449 175.900 0.034 0.000 1.115 271 Y CA 0.885 59.022 58.100 0.063 0.000 1.107 271 Y CB -0.670 37.847 38.460 0.095 0.000 1.033 271 Y HN 0.098 nan 8.280 nan 0.000 0.502 272 L N 0.938 122.150 121.223 -0.020 0.000 2.012 272 L HA -0.195 4.147 4.340 0.004 0.000 0.210 272 L C 2.008 178.795 176.870 -0.138 0.000 1.073 272 L CA 2.077 56.753 54.840 -0.273 0.000 0.748 272 L CB -0.771 40.904 42.059 -0.641 0.000 0.891 272 L HN 0.159 nan 8.230 nan 0.000 0.431 273 K N -0.882 119.492 120.400 -0.044 0.000 2.029 273 K HA -0.056 4.267 4.320 0.004 0.000 0.205 273 K C 1.799 178.382 176.600 -0.029 0.000 1.042 273 K CA 1.310 57.600 56.287 0.006 0.000 0.949 273 K CB -0.218 32.294 32.500 0.021 0.000 0.740 273 K HN 0.333 nan 8.250 nan 0.000 0.442 274 D N 0.301 120.685 120.400 -0.027 0.000 2.085 274 D HA -0.085 4.558 4.640 0.004 0.000 0.199 274 D C 2.026 178.288 176.300 -0.063 0.000 0.981 274 D CA 1.393 55.375 54.000 -0.029 0.000 0.834 274 D CB -0.603 40.199 40.800 0.003 0.000 0.992 274 D HN 0.080 nan 8.370 nan 0.000 0.457 275 T N 1.696 116.189 114.554 -0.101 0.000 2.614 275 T HA -0.063 4.289 4.350 0.004 0.000 0.263 275 T C 2.182 176.744 174.700 -0.230 0.000 1.055 275 T CA 0.731 62.733 62.100 -0.165 0.000 1.162 275 T CB -0.494 68.222 68.868 -0.255 0.000 0.863 275 T HN 0.068 nan 8.240 nan 0.000 0.414 276 L N 0.349 121.355 121.223 -0.362 0.000 2.465 276 L HA 0.046 4.389 4.340 0.004 0.000 0.224 276 L C 0.630 177.437 176.870 -0.104 0.000 1.145 276 L CA 0.470 55.156 54.840 -0.256 0.000 0.834 276 L CB -0.331 41.539 42.059 -0.315 0.000 0.944 276 L HN 0.232 nan 8.230 nan 0.000 0.451 277 K N -0.442 119.910 120.400 -0.080 0.000 3.129 277 K HA -0.237 4.086 4.320 0.004 0.000 0.273 277 K C -0.119 176.487 176.600 0.010 0.000 1.123 277 K CA 0.534 56.796 56.287 -0.043 0.000 0.800 277 K CB -2.457 30.007 32.500 -0.059 0.000 1.238 277 K HN 0.182 nan 8.250 nan 0.000 0.492 278 F N 1.474 121.349 119.950 -0.126 0.000 2.543 278 F HA 0.131 4.661 4.527 0.004 0.000 0.375 278 F C 1.128 176.883 175.800 -0.075 0.000 1.075 278 F CA -0.024 57.913 58.000 -0.105 0.000 1.225 278 F CB 0.672 39.582 39.000 -0.150 0.000 1.099 278 F HN -0.103 nan 8.300 nan 0.000 0.561 279 K N 4.077 124.119 120.400 -0.598 0.000 2.413 279 K HA 0.322 4.644 4.320 0.004 0.000 0.204 279 K C 0.787 176.977 176.600 -0.684 0.000 1.041 279 K CA 0.189 56.165 56.287 -0.518 0.000 1.082 279 K CB 0.561 32.913 32.500 -0.247 0.000 0.871 279 K HN 0.736 nan 8.250 nan 0.000 0.535 280 G N -0.046 107.908 108.800 -1.411 0.000 2.509 280 G HA2 0.392 4.354 3.960 0.004 0.000 0.269 280 G HA3 0.392 4.354 3.960 0.004 0.000 0.269 280 G C -0.582 173.933 174.900 -0.641 0.000 1.416 280 G CA -0.598 44.007 45.100 -0.826 0.000 1.052 280 G HN 0.168 nan 8.290 nan 0.000 0.542 281 F N -1.458 118.400 119.950 -0.154 0.000 2.492 281 F HA 0.727 5.257 4.527 0.004 0.000 0.327 281 F C -0.486 175.475 175.800 0.269 0.000 1.079 281 F CA -1.749 56.261 58.000 0.016 0.000 0.967 281 F CB 1.581 40.582 39.000 0.002 0.000 1.169 281 F HN 0.223 nan 8.300 nan 0.000 0.472 282 V N 4.916 125.117 119.914 0.478 0.000 2.407 282 V HA 0.386 4.509 4.120 0.004 0.000 0.278 282 V C -0.023 176.274 176.094 0.338 0.000 1.037 282 V CA -0.631 61.866 62.300 0.329 0.000 0.900 282 V CB 1.186 33.120 31.823 0.184 0.000 0.983 282 V HN 0.888 nan 8.190 nan 0.000 0.459 283 I N 4.040 124.783 120.570 0.289 0.000 2.693 283 I HA 0.604 4.777 4.170 0.004 0.000 0.303 283 I C 0.732 176.922 176.117 0.122 0.000 1.025 283 I CA -0.168 61.290 61.300 0.263 0.000 1.086 283 I CB 2.334 40.575 38.000 0.402 0.000 1.268 283 I HN 0.798 nan 8.210 nan 0.000 0.440 284 S N 4.472 120.236 115.700 0.107 0.000 2.652 284 S HA 0.337 4.809 4.470 0.004 0.000 0.267 284 S C -0.358 174.316 174.600 0.123 0.000 1.201 284 S CA -0.494 57.810 58.200 0.172 0.000 0.996 284 S CB 1.269 64.612 63.200 0.239 0.000 1.054 284 S HN 0.692 nan 8.310 nan 0.000 0.561 285 D N -0.947 119.580 120.400 0.212 0.000 2.442 285 D HA 0.160 4.803 4.640 0.004 0.000 0.254 285 D C -0.817 175.540 176.300 0.094 0.000 1.069 285 D CA -0.877 53.109 54.000 -0.024 0.000 1.017 285 D CB 0.895 41.425 40.800 -0.450 0.000 1.172 285 D HN 0.694 nan 8.370 nan 0.000 0.561 286 W N 2.425 123.723 121.300 -0.003 0.000 2.812 286 W HA -0.035 4.627 4.660 0.004 0.000 0.366 286 W C -0.007 176.626 176.519 0.190 0.000 1.373 286 W CA 0.879 58.279 57.345 0.092 0.000 1.374 286 W CB -0.673 28.850 29.460 0.105 0.000 1.500 286 W HN 0.646 nan 8.180 nan 0.000 0.568 287 E N 1.847 122.062 120.200 0.025 0.000 2.586 287 E HA -0.247 4.106 4.350 0.004 0.000 0.259 287 E C 1.391 178.068 176.600 0.128 0.000 1.107 287 E CA 0.435 56.867 56.400 0.054 0.000 0.754 287 E CB -1.378 28.377 29.700 0.093 0.000 1.335 287 E HN 0.702 nan 8.360 nan 0.000 0.411 288 G N 1.101 109.929 108.800 0.048 0.000 2.422 288 G HA2 -0.215 3.748 3.960 0.004 0.000 0.218 288 G HA3 -0.215 3.748 3.960 0.004 0.000 0.218 288 G C 1.461 176.022 174.900 -0.564 0.000 1.146 288 G CA 0.997 45.858 45.100 -0.398 0.000 0.769 288 G HN 0.553 nan 8.290 nan 0.000 0.547 289 I N -1.329 119.099 120.570 -0.237 0.000 2.546 289 I HA 0.037 4.209 4.170 0.004 0.000 0.255 289 I C 1.607 177.728 176.117 0.006 0.000 1.163 289 I CA 1.511 62.763 61.300 -0.080 0.000 1.457 289 I CB -0.243 37.738 38.000 -0.032 0.000 1.092 289 I HN -0.106 nan 8.210 nan 0.000 0.434 290 D N 1.789 122.243 120.400 0.089 0.000 2.144 290 D HA -0.110 4.532 4.640 0.004 0.000 0.200 290 D C 2.068 178.430 176.300 0.103 0.000 0.978 290 D CA 1.197 55.302 54.000 0.174 0.000 0.833 290 D CB -0.208 40.690 40.800 0.163 0.000 0.961 290 D HN 0.415 nan 8.370 nan 0.000 0.470 291 R N 0.088 120.618 120.500 0.051 0.000 2.313 291 R HA 0.200 4.542 4.340 0.004 0.000 0.199 291 R C 1.790 178.130 176.300 0.066 0.000 0.958 291 R CA -0.012 56.113 56.100 0.042 0.000 1.047 291 R CB 0.042 30.346 30.300 0.007 0.000 0.955 291 R HN 0.271 nan 8.270 nan 0.000 0.481 292 I N 0.791 121.405 120.570 0.074 0.000 2.315 292 I HA -0.163 4.010 4.170 0.004 0.000 0.248 292 I C 1.271 177.485 176.117 0.162 0.000 1.117 292 I CA 1.053 62.424 61.300 0.118 0.000 1.404 292 I CB -0.256 37.800 38.000 0.093 0.000 1.071 292 I HN 0.200 nan 8.210 nan 0.000 0.419 293 T N -2.252 112.402 114.554 0.166 0.000 2.934 293 T HA 0.376 4.729 4.350 0.004 0.000 0.283 293 T C -0.110 174.648 174.700 0.097 0.000 1.005 293 T CA -0.548 61.647 62.100 0.159 0.000 1.041 293 T CB 2.126 71.109 68.868 0.191 0.000 1.042 293 T HN 0.059 nan 8.240 nan 0.000 0.505 294 T N 1.975 116.570 114.554 0.069 0.000 2.937 294 T HA 0.569 4.922 4.350 0.004 0.000 0.297 294 T C -2.621 172.098 174.700 0.032 0.000 0.991 294 T CA -1.197 60.930 62.100 0.045 0.000 0.990 294 T CB 0.278 69.167 68.868 0.034 0.000 0.991 294 T HN 0.659 nan 8.240 nan 0.000 0.440 295 P HA 0.390 nan 4.420 nan 0.000 0.270 295 P C -0.650 176.680 177.300 0.050 0.000 1.221 295 P CA -0.436 62.684 63.100 0.032 0.000 0.788 295 P CB 0.241 31.957 31.700 0.027 0.000 0.904 296 A N 1.220 124.067 122.820 0.045 0.000 2.440 296 A HA 0.462 4.784 4.320 0.004 0.000 0.251 296 A C 1.459 179.090 177.584 0.078 0.000 1.089 296 A CA 0.359 52.433 52.037 0.061 0.000 0.779 296 A CB -0.879 18.145 19.000 0.039 0.000 1.022 296 A HN 0.954 nan 8.150 nan 0.000 0.492 297 G N 1.276 110.153 108.800 0.128 0.000 2.189 297 G HA2 -0.308 3.655 3.960 0.004 0.000 0.267 297 G HA3 -0.308 3.655 3.960 0.004 0.000 0.267 297 G C 1.274 176.258 174.900 0.140 0.000 0.975 297 G CA 1.415 46.611 45.100 0.161 0.000 0.644 297 G HN 2.098 nan 8.290 nan 0.000 0.537 298 S N -1.113 114.655 115.700 0.113 0.000 2.500 298 S HA 0.124 4.596 4.470 0.004 0.000 0.239 298 S C 0.839 175.508 174.600 0.114 0.000 0.989 298 S CA 1.518 59.772 58.200 0.090 0.000 0.951 298 S CB 0.291 63.530 63.200 0.065 0.000 0.759 298 S HN 0.540 nan 8.310 nan 0.000 0.523 299 D N -0.567 119.936 120.400 0.171 0.000 3.118 299 D HA 0.139 4.782 4.640 0.004 0.000 0.259 299 D C -0.117 176.339 176.300 0.259 0.000 1.292 299 D CA -0.594 53.526 54.000 0.200 0.000 0.784 299 D CB -0.359 40.554 40.800 0.189 0.000 1.413 299 D HN 0.090 nan 8.370 nan 0.000 0.583 300 Y N 1.143 121.510 120.300 0.112 0.000 2.241 300 Y HA -0.215 4.337 4.550 0.004 0.000 0.286 300 Y C 2.225 178.204 175.900 0.131 0.000 1.166 300 Y CA 2.228 60.390 58.100 0.104 0.000 1.203 300 Y CB -0.067 38.435 38.460 0.069 0.000 0.977 300 Y HN 0.292 nan 8.280 nan 0.000 0.529 301 S N -1.130 114.671 115.700 0.168 0.000 2.356 301 S HA -0.280 4.193 4.470 0.004 0.000 0.223 301 S C 2.018 176.753 174.600 0.224 0.000 1.032 301 S CA 1.502 59.804 58.200 0.171 0.000 1.005 301 S CB -0.881 62.440 63.200 0.202 0.000 0.867 301 S HN 0.654 nan 8.310 nan 0.000 0.449 302 Y N 2.191 122.541 120.300 0.083 0.000 2.181 302 Y HA -0.041 4.511 4.550 0.005 0.000 0.288 302 Y C 2.501 178.403 175.900 0.004 0.000 1.146 302 Y CA 1.740 59.862 58.100 0.037 0.000 1.164 302 Y CB -0.879 37.602 38.460 0.034 0.000 0.982 302 Y HN 0.283 nan 8.280 nan 0.000 0.515 303 S N -0.467 115.132 115.700 -0.168 0.000 2.370 303 S HA -0.201 4.271 4.470 0.004 0.000 0.226 303 S C 2.141 176.569 174.600 -0.286 0.000 1.033 303 S CA 1.599 59.639 58.200 -0.267 0.000 1.011 303 S CB -0.783 62.312 63.200 -0.174 0.000 0.852 303 S HN 0.342 nan 8.310 nan 0.000 0.457 304 V N 1.909 121.657 119.914 -0.277 0.000 2.307 304 V HA -0.163 3.960 4.120 0.004 0.000 0.245 304 V C 2.399 178.461 176.094 -0.052 0.000 1.045 304 V CA 1.815 64.043 62.300 -0.119 0.000 1.024 304 V CB -0.551 31.219 31.823 -0.088 0.000 0.651 304 V HN 0.432 nan 8.190 nan 0.000 0.449 305 K N 0.432 120.778 120.400 -0.091 0.000 2.002 305 K HA -0.189 4.134 4.320 0.004 0.000 0.209 305 K C 2.225 178.701 176.600 -0.207 0.000 1.048 305 K CA 1.699 57.865 56.287 -0.202 0.000 0.930 305 K CB -0.409 31.872 32.500 -0.366 0.000 0.714 305 K HN 0.391 nan 8.250 nan 0.000 0.438 306 A N 0.970 123.575 122.820 -0.360 0.000 1.883 306 A HA -0.196 4.126 4.320 0.004 0.000 0.217 306 A C 2.190 179.687 177.584 -0.145 0.000 1.186 306 A CA 2.431 54.268 52.037 -0.334 0.000 0.624 306 A CB -0.929 17.660 19.000 -0.685 0.000 0.822 306 A HN 0.605 nan 8.150 nan 0.000 0.444 307 S N -0.162 115.472 115.700 -0.110 0.000 2.368 307 S HA -0.096 4.376 4.470 0.004 0.000 0.224 307 S C 1.809 176.424 174.600 0.025 0.000 1.029 307 S CA 1.364 59.565 58.200 0.003 0.000 0.988 307 S CB -0.508 62.722 63.200 0.051 0.000 0.838 307 S HN 0.325 nan 8.310 nan 0.000 0.462 308 I N 2.106 122.688 120.570 0.021 0.000 2.252 308 I HA -0.002 4.171 4.170 0.004 0.000 0.245 308 I C 2.457 178.584 176.117 0.017 0.000 1.102 308 I CA 0.942 62.267 61.300 0.041 0.000 1.385 308 I CB -1.368 36.664 38.000 0.053 0.000 1.064 308 I HN 0.313 nan 8.210 nan 0.000 0.414 309 L N 0.613 121.829 121.223 -0.012 0.000 2.141 309 L HA -0.144 4.199 4.340 0.004 0.000 0.209 309 L C 2.723 179.599 176.870 0.010 0.000 1.094 309 L CA 1.029 55.863 54.840 -0.010 0.000 0.763 309 L CB -0.581 41.459 42.059 -0.032 0.000 0.908 309 L HN 0.173 nan 8.230 nan 0.000 0.437 310 A N -0.456 122.373 122.820 0.014 0.000 1.972 310 A HA 0.010 4.332 4.320 0.004 0.000 0.219 310 A C 1.880 179.492 177.584 0.046 0.000 1.169 310 A CA 1.704 53.763 52.037 0.036 0.000 0.635 310 A CB -0.432 18.593 19.000 0.042 0.000 0.810 310 A HN 0.535 nan 8.150 nan 0.000 0.446 311 G N -3.129 105.697 108.800 0.043 0.000 2.370 311 G HA2 -0.005 3.958 3.960 0.004 0.000 0.174 311 G HA3 -0.005 3.958 3.960 0.004 0.000 0.174 311 G C -0.189 174.746 174.900 0.059 0.000 1.002 311 G CA -0.148 44.981 45.100 0.048 0.000 0.730 311 G HN 0.272 nan 8.290 nan 0.000 0.497 312 L N 1.917 123.178 121.223 0.063 0.000 2.456 312 L HA 0.402 4.745 4.340 0.004 0.000 0.272 312 L C 1.140 178.065 176.870 0.091 0.000 1.189 312 L CA 0.531 55.419 54.840 0.081 0.000 0.846 312 L CB 0.679 42.785 42.059 0.078 0.000 1.111 312 L HN 0.101 nan 8.230 nan 0.000 0.475 313 D N 1.161 121.631 120.400 0.117 0.000 2.394 313 D HA 0.097 4.740 4.640 0.004 0.000 0.226 313 D C 0.419 176.744 176.300 0.041 0.000 0.990 313 D CA 0.756 54.807 54.000 0.085 0.000 0.902 313 D CB 0.507 41.374 40.800 0.111 0.000 1.038 313 D HN 0.389 nan 8.370 nan 0.000 0.499 314 M N 1.290 120.925 119.600 0.058 0.000 2.395 314 M HA 0.327 4.810 4.480 0.004 0.000 0.307 314 M C -1.860 174.441 176.300 0.001 0.000 1.091 314 M CA -0.621 54.671 55.300 -0.014 0.000 0.919 314 M CB 2.386 34.916 32.600 -0.116 0.000 1.662 314 M HN -0.325 nan 8.290 nan 0.000 0.440 315 I N 5.238 125.735 120.570 -0.122 0.000 2.354 315 I HA 0.289 4.462 4.170 0.004 0.000 0.292 315 I C -0.199 175.752 176.117 -0.276 0.000 0.989 315 I CA -0.414 60.737 61.300 -0.248 0.000 1.188 315 I CB 1.557 39.189 38.000 -0.614 0.000 1.342 315 I HN 0.907 nan 8.210 nan 0.000 0.457 316 M N 7.084 126.575 119.600 -0.181 0.000 2.974 316 M HA 0.122 4.605 4.480 0.004 0.000 0.301 316 M C 0.639 176.747 176.300 -0.320 0.000 1.409 316 M CA -0.167 55.009 55.300 -0.206 0.000 1.515 316 M CB 0.073 32.591 32.600 -0.137 0.000 1.163 316 M HN 0.518 nan 8.290 nan 0.000 0.520 317 V N 4.430 124.126 119.914 -0.364 0.000 2.223 317 V HA -0.210 3.912 4.120 0.004 0.000 0.253 317 V C -0.958 174.889 176.094 -0.412 0.000 1.061 317 V CA 2.137 64.234 62.300 -0.337 0.000 1.035 317 V CB -1.749 29.932 31.823 -0.237 0.000 0.653 317 V HN 0.720 nan 8.190 nan 0.000 0.454 318 P HA 0.193 nan 4.420 nan 0.000 0.300 318 P C 0.376 177.492 177.300 -0.308 0.000 1.397 318 P CA 0.327 63.122 63.100 -0.509 0.000 1.127 318 P CB 0.582 31.753 31.700 -0.883 0.000 1.572 319 N N 0.657 119.202 118.700 -0.258 0.000 2.684 319 N HA 0.082 4.825 4.740 0.004 0.000 0.220 319 N C 0.588 175.994 175.510 -0.172 0.000 1.037 319 N CA 0.399 53.363 53.050 -0.144 0.000 0.975 319 N CB 0.097 38.500 38.487 -0.140 0.000 1.426 319 N HN 0.097 nan 8.380 nan 0.000 0.450 320 K N 2.513 122.775 120.400 -0.230 0.000 2.278 320 K HA 0.071 4.393 4.320 0.004 0.000 0.237 320 K C 0.425 176.902 176.600 -0.205 0.000 1.229 320 K CA -0.230 55.868 56.287 -0.314 0.000 1.155 320 K CB -0.289 32.030 32.500 -0.301 0.000 1.590 320 K HN 0.371 nan 8.250 nan 0.000 0.290 321 Y N -0.850 119.446 120.300 -0.007 0.000 2.373 321 Y HA -0.144 4.408 4.550 0.005 0.000 0.293 321 Y C 2.121 178.088 175.900 0.112 0.000 1.129 321 Y CA 0.542 58.696 58.100 0.090 0.000 1.226 321 Y CB -0.459 38.023 38.460 0.036 0.000 1.000 321 Y HN 0.350 nan 8.280 nan 0.000 0.549 322 Q N 0.757 120.420 119.800 -0.228 0.000 2.030 322 Q HA -0.326 4.017 4.340 0.004 0.000 0.204 322 Q C 2.505 178.508 176.000 0.006 0.000 0.986 322 Q CA 2.297 58.071 55.803 -0.048 0.000 0.843 322 Q CB -0.179 28.442 28.738 -0.195 0.000 0.904 322 Q HN 0.767 nan 8.270 nan 0.000 0.420 323 Q N -0.640 119.138 119.800 -0.036 0.000 2.050 323 Q HA -0.211 4.131 4.340 0.004 0.000 0.202 323 Q C 1.929 178.043 176.000 0.190 0.000 0.980 323 Q CA 1.682 57.501 55.803 0.028 0.000 0.840 323 Q CB -0.315 28.374 28.738 -0.082 0.000 0.898 323 Q HN 0.434 nan 8.270 nan 0.000 0.424 324 F N 1.048 121.106 119.950 0.180 0.000 2.069 324 F HA -0.210 4.320 4.527 0.004 0.000 0.298 324 F C 1.802 177.676 175.800 0.123 0.000 1.113 324 F CA 1.707 59.867 58.000 0.268 0.000 1.214 324 F CB -0.355 38.782 39.000 0.229 0.000 0.978 324 F HN 0.097 nan 8.300 nan 0.000 0.474 325 I N -0.763 119.753 120.570 -0.090 0.000 2.394 325 I HA -0.276 3.896 4.170 0.004 0.000 0.251 325 I C 2.696 178.712 176.117 -0.169 0.000 1.136 325 I CA 1.354 62.535 61.300 -0.199 0.000 1.425 325 I CB -0.771 37.263 38.000 0.056 0.000 1.079 325 I HN 0.241 nan 8.210 nan 0.000 0.425 326 S N 1.145 116.795 115.700 -0.083 0.000 2.345 326 S HA -0.114 4.359 4.470 0.004 0.000 0.220 326 S C 2.080 176.593 174.600 -0.145 0.000 1.031 326 S CA 1.234 59.387 58.200 -0.078 0.000 0.996 326 S CB -0.202 62.975 63.200 -0.037 0.000 0.882 326 S HN 0.292 nan 8.310 nan 0.000 0.445 327 I N 1.115 121.587 120.570 -0.163 0.000 2.179 327 I HA -0.163 4.009 4.170 0.004 0.000 0.242 327 I C 2.323 178.187 176.117 -0.422 0.000 1.088 327 I CA 0.959 62.090 61.300 -0.282 0.000 1.357 327 I CB -0.317 37.575 38.000 -0.179 0.000 1.051 327 I HN 0.331 nan 8.210 nan 0.000 0.409 328 L N 0.353 121.342 121.223 -0.390 0.000 2.131 328 L HA -0.167 4.175 4.340 0.004 0.000 0.210 328 L C 2.407 179.158 176.870 -0.198 0.000 1.092 328 L CA 2.022 56.671 54.840 -0.318 0.000 0.759 328 L CB -0.875 40.854 42.059 -0.549 0.000 0.903 328 L HN 0.160 nan 8.230 nan 0.000 0.435 329 T N -0.756 113.680 114.554 -0.197 0.000 2.777 329 T HA -0.081 4.272 4.350 0.004 0.000 0.266 329 T C 1.714 176.364 174.700 -0.084 0.000 1.040 329 T CA 1.190 63.222 62.100 -0.113 0.000 1.141 329 T CB -0.832 67.983 68.868 -0.088 0.000 0.868 329 T HN 0.563 nan 8.240 nan 0.000 0.444 330 G N 0.643 109.368 108.800 -0.125 0.000 2.421 330 G HA2 -0.237 3.725 3.960 0.004 0.000 0.216 330 G HA3 -0.237 3.725 3.960 0.004 0.000 0.216 330 G C 1.217 176.108 174.900 -0.016 0.000 1.171 330 G CA 0.765 45.809 45.100 -0.093 0.000 0.775 330 G HN 0.604 nan 8.290 nan 0.000 0.543 331 H N -0.650 118.391 119.070 -0.048 0.000 2.387 331 H HA -0.059 4.500 4.556 0.004 0.000 0.299 331 H C 2.697 178.003 175.328 -0.037 0.000 1.099 331 H CA 0.748 56.772 56.048 -0.040 0.000 1.315 331 H CB 0.242 29.972 29.762 -0.053 0.000 1.380 331 H HN 0.262 nan 8.280 nan 0.000 0.513 332 V N 0.934 120.892 119.914 0.073 0.000 2.302 332 V HA -0.209 3.914 4.120 0.004 0.000 0.243 332 V C 1.876 177.979 176.094 0.015 0.000 1.036 332 V CA 1.435 63.750 62.300 0.026 0.000 1.020 332 V CB -0.318 31.502 31.823 -0.006 0.000 0.657 332 V HN 0.509 nan 8.190 nan 0.000 0.453 333 N N 1.032 119.735 118.700 0.005 0.000 2.334 333 N HA -0.130 4.612 4.740 0.004 0.000 0.187 333 N C 1.618 177.135 175.510 0.013 0.000 1.016 333 N CA 1.599 54.650 53.050 0.002 0.000 0.879 333 N CB -0.309 38.174 38.487 -0.006 0.000 0.965 333 N HN 0.575 nan 8.380 nan 0.000 0.438 334 G N -1.479 107.339 108.800 0.030 0.000 3.088 334 G HA2 0.321 4.283 3.960 0.004 0.000 0.217 334 G HA3 0.321 4.283 3.960 0.004 0.000 0.217 334 G C 1.006 175.922 174.900 0.028 0.000 1.159 334 G CA 0.426 45.547 45.100 0.035 0.000 0.760 334 G HN 0.399 nan 8.290 nan 0.000 0.550 335 G N -0.476 108.337 108.800 0.022 0.000 2.179 335 G HA2 -0.351 3.612 3.960 0.004 0.000 0.260 335 G HA3 -0.351 3.612 3.960 0.004 0.000 0.260 335 G C 1.267 176.169 174.900 0.003 0.000 0.977 335 G CA 0.614 45.720 45.100 0.010 0.000 0.641 335 G HN 0.567 nan 8.290 nan 0.000 0.533 336 V N 0.188 120.106 119.914 0.007 0.000 2.626 336 V HA 0.160 4.282 4.120 0.004 0.000 0.252 336 V C 1.429 177.491 176.094 -0.053 0.000 1.067 336 V CA 1.882 64.160 62.300 -0.036 0.000 1.081 336 V CB -0.188 31.586 31.823 -0.083 0.000 0.686 336 V HN 0.510 nan 8.190 nan 0.000 0.468 337 I N 2.239 122.798 120.570 -0.019 0.000 2.439 337 I HA 0.349 4.522 4.170 0.004 0.000 0.285 337 I C -2.453 173.661 176.117 -0.005 0.000 1.021 337 I CA -1.942 59.348 61.300 -0.017 0.000 1.091 337 I CB 2.503 40.501 38.000 -0.003 0.000 1.242 337 I HN 0.055 nan 8.210 nan 0.000 0.439 338 P HA 0.109 nan 4.420 nan 0.000 0.272 338 P C 0.449 177.745 177.300 -0.007 0.000 1.230 338 P CA -0.395 62.701 63.100 -0.006 0.000 0.788 338 P CB 1.044 32.740 31.700 -0.006 0.000 0.949 339 M N 1.295 120.890 119.600 -0.009 0.000 2.296 339 M HA -0.108 4.375 4.480 0.004 0.000 0.265 339 M C 2.073 178.366 176.300 -0.013 0.000 1.064 339 M CA 1.813 57.106 55.300 -0.013 0.000 1.109 339 M CB -1.679 30.912 32.600 -0.015 0.000 1.396 339 M HN 0.483 nan 8.290 nan 0.000 0.430 340 S N 0.051 115.745 115.700 -0.010 0.000 2.370 340 S HA -0.208 4.265 4.470 0.004 0.000 0.226 340 S C 2.019 176.615 174.600 -0.007 0.000 1.033 340 S CA 1.329 59.523 58.200 -0.010 0.000 1.011 340 S CB -0.541 62.654 63.200 -0.008 0.000 0.852 340 S HN 0.325 nan 8.310 nan 0.000 0.457 341 R N 1.617 122.115 120.500 -0.004 0.000 2.080 341 R HA 0.040 4.383 4.340 0.004 0.000 0.236 341 R C 2.167 178.469 176.300 0.002 0.000 1.137 341 R CA 1.782 57.883 56.100 0.002 0.000 0.943 341 R CB -0.959 29.343 30.300 0.003 0.000 0.846 341 R HN 0.454 nan 8.270 nan 0.000 0.431 342 I N 1.092 121.660 120.570 -0.003 0.000 2.179 342 I HA -0.230 3.943 4.170 0.004 0.000 0.242 342 I C 1.465 177.574 176.117 -0.013 0.000 1.088 342 I CA 1.557 62.853 61.300 -0.006 0.000 1.357 342 I CB -1.249 36.742 38.000 -0.015 0.000 1.051 342 I HN 0.186 nan 8.210 nan 0.000 0.409 343 D N 0.523 120.913 120.400 -0.017 0.000 2.178 343 D HA -0.196 4.446 4.640 0.004 0.000 0.201 343 D C 1.867 178.156 176.300 -0.018 0.000 0.980 343 D CA 1.210 55.197 54.000 -0.022 0.000 0.842 343 D CB -0.199 40.588 40.800 -0.022 0.000 0.948 343 D HN 0.396 nan 8.370 nan 0.000 0.472 344 D N 0.142 120.534 120.400 -0.013 0.000 2.091 344 D HA -0.052 4.590 4.640 0.004 0.000 0.199 344 D C 1.982 178.277 176.300 -0.008 0.000 0.980 344 D CA 1.616 55.609 54.000 -0.012 0.000 0.831 344 D CB -0.088 40.708 40.800 -0.007 0.000 0.987 344 D HN 0.047 nan 8.370 nan 0.000 0.460 345 A N 0.108 122.928 122.820 -0.001 0.000 1.873 345 A HA -0.174 4.149 4.320 0.004 0.000 0.218 345 A C 2.549 180.119 177.584 -0.024 0.000 1.193 345 A CA 2.089 54.128 52.037 0.002 0.000 0.629 345 A CB -1.095 17.913 19.000 0.013 0.000 0.826 345 A HN 0.233 nan 8.150 nan 0.000 0.447 346 V N -0.377 119.519 119.914 -0.030 0.000 2.407 346 V HA -0.229 3.893 4.120 0.004 0.000 0.248 346 V C 2.712 178.791 176.094 -0.026 0.000 1.055 346 V CA 2.416 64.690 62.300 -0.045 0.000 1.049 346 V CB -1.347 30.450 31.823 -0.044 0.000 0.662 346 V HN 0.626 nan 8.190 nan 0.000 0.455 347 T N -0.099 114.446 114.554 -0.015 0.000 2.652 347 T HA -0.243 4.110 4.350 0.004 0.000 0.267 347 T C 2.088 176.796 174.700 0.014 0.000 1.039 347 T CA 1.901 64.001 62.100 -0.001 0.000 1.153 347 T CB -0.255 68.604 68.868 -0.015 0.000 0.863 347 T HN 0.444 nan 8.240 nan 0.000 0.428 348 R N 0.310 120.814 120.500 0.006 0.000 2.081 348 R HA 0.026 4.368 4.340 0.004 0.000 0.235 348 R C 2.481 178.854 176.300 0.121 0.000 1.131 348 R CA 1.290 57.408 56.100 0.031 0.000 0.960 348 R CB -0.499 29.816 30.300 0.025 0.000 0.856 348 R HN 0.408 nan 8.270 nan 0.000 0.436 349 I N 0.714 121.299 120.570 0.025 0.000 2.226 349 I HA -0.282 3.890 4.170 0.004 0.000 0.245 349 I C 2.153 178.273 176.117 0.006 0.000 1.100 349 I CA 1.324 62.554 61.300 -0.117 0.000 1.374 349 I CB -0.257 37.527 38.000 -0.360 0.000 1.057 349 I HN 0.154 nan 8.210 nan 0.000 0.413 350 L N 0.164 121.405 121.223 0.029 0.000 2.093 350 L HA -0.163 4.179 4.340 0.004 0.000 0.208 350 L C 2.763 179.768 176.870 0.226 0.000 1.085 350 L CA 1.016 55.912 54.840 0.093 0.000 0.755 350 L CB -0.592 41.551 42.059 0.140 0.000 0.904 350 L HN 0.237 nan 8.230 nan 0.000 0.435 351 R N 0.354 120.967 120.500 0.187 0.000 2.080 351 R HA -0.163 4.179 4.340 0.004 0.000 0.236 351 R C 2.230 178.638 176.300 0.180 0.000 1.137 351 R CA 1.858 58.067 56.100 0.181 0.000 0.943 351 R CB -0.294 30.053 30.300 0.078 0.000 0.846 351 R HN 0.122 nan 8.270 nan 0.000 0.431 352 V N 1.599 121.610 119.914 0.162 0.000 2.287 352 V HA -0.273 3.849 4.120 0.004 0.000 0.248 352 V C 2.318 178.484 176.094 0.120 0.000 1.053 352 V CA 2.138 64.521 62.300 0.137 0.000 1.027 352 V CB -0.480 31.477 31.823 0.222 0.000 0.646 352 V HN 0.402 nan 8.190 nan 0.000 0.447 353 K N -0.918 119.555 120.400 0.122 0.000 2.057 353 K HA -0.135 4.187 4.320 0.004 0.000 0.207 353 K C 2.092 178.789 176.600 0.161 0.000 1.049 353 K CA 1.626 57.958 56.287 0.076 0.000 0.931 353 K CB -0.312 32.194 32.500 0.009 0.000 0.714 353 K HN 0.355 nan 8.250 nan 0.000 0.440 354 F N 1.377 121.457 119.950 0.216 0.000 2.113 354 F HA -0.164 4.365 4.527 0.003 0.000 0.297 354 F C 2.626 178.464 175.800 0.064 0.000 1.103 354 F CA 1.262 59.324 58.000 0.102 0.000 1.248 354 F CB -0.956 37.987 39.000 -0.095 0.000 0.999 354 F HN -0.016 nan 8.300 nan 0.000 0.475 355 T N 1.084 115.780 114.554 0.237 0.000 2.699 355 T HA -0.265 4.087 4.350 0.004 0.000 0.268 355 T C 1.868 176.578 174.700 0.017 0.000 1.036 355 T CA 1.898 64.065 62.100 0.111 0.000 1.147 355 T CB -0.520 68.401 68.868 0.090 0.000 0.862 355 T HN 0.391 nan 8.240 nan 0.000 0.446 356 M N 0.202 119.809 119.600 0.011 0.000 2.618 356 M HA 0.408 4.891 4.480 0.004 0.000 0.240 356 M C 1.553 177.849 176.300 -0.006 0.000 1.123 356 M CA 0.890 56.156 55.300 -0.057 0.000 1.060 356 M CB -0.172 32.391 32.600 -0.061 0.000 1.535 356 M HN 0.267 nan 8.290 nan 0.000 0.507 357 G N 1.635 110.481 108.800 0.076 0.000 2.143 357 G HA2 -0.241 3.722 3.960 0.004 0.000 0.249 357 G HA3 -0.241 3.722 3.960 0.004 0.000 0.249 357 G C 0.594 175.564 174.900 0.117 0.000 0.981 357 G CA 0.369 45.536 45.100 0.112 0.000 0.665 357 G HN 0.519 nan 8.290 nan 0.000 0.528 358 L N -1.151 120.124 121.223 0.088 0.000 2.081 358 L HA -0.074 4.268 4.340 0.004 0.000 0.212 358 L C 2.655 179.483 176.870 -0.069 0.000 1.080 358 L CA 2.082 56.905 54.840 -0.029 0.000 0.754 358 L CB -0.369 41.608 42.059 -0.137 0.000 0.893 358 L HN 0.371 nan 8.230 nan 0.000 0.433 359 F N -0.002 119.917 119.950 -0.052 0.000 2.407 359 F HA -0.160 4.369 4.527 0.003 0.000 0.299 359 F C 2.342 178.179 175.800 0.061 0.000 1.097 359 F CA 0.827 58.827 58.000 0.000 0.000 1.422 359 F CB -0.150 38.894 39.000 0.073 0.000 1.067 359 F HN 0.069 nan 8.300 nan 0.000 0.539 360 E N -0.704 119.637 120.200 0.236 0.000 2.140 360 E HA 0.039 4.392 4.350 0.004 0.000 0.191 360 E C 0.278 176.949 176.600 0.118 0.000 0.973 360 E CA 0.650 57.151 56.400 0.168 0.000 0.829 360 E CB -0.010 29.778 29.700 0.147 0.000 0.781 360 E HN 0.130 nan 8.360 nan 0.000 0.466 361 N N 0.897 119.647 118.700 0.083 0.000 2.813 361 N HA 0.120 4.863 4.740 0.004 0.000 0.282 361 N C -2.239 173.276 175.510 0.008 0.000 1.748 361 N CA -0.717 52.374 53.050 0.069 0.000 0.860 361 N CB 1.512 40.035 38.487 0.061 0.000 1.204 361 N HN 0.082 nan 8.380 nan 0.000 0.490 362 P HA -0.061 nan 4.420 nan 0.000 0.229 362 P C -0.272 176.798 177.300 -0.383 0.000 1.160 362 P CA 0.856 63.782 63.100 -0.291 0.000 0.777 362 P CB 0.322 31.745 31.700 -0.460 0.000 0.814 363 Y N 0.052 120.355 120.300 0.004 0.000 2.534 363 Y HA 0.563 5.115 4.550 0.003 0.000 0.329 363 Y C 1.074 176.980 175.900 0.011 0.000 1.154 363 Y CA -1.454 56.652 58.100 0.009 0.000 1.192 363 Y CB 0.630 39.094 38.460 0.007 0.000 1.275 363 Y HN -0.138 nan 8.280 nan 0.000 0.491 364 A N 0.945 123.876 122.820 0.184 0.000 2.425 364 A HA 0.175 4.498 4.320 0.004 0.000 0.242 364 A C -0.507 177.130 177.584 0.088 0.000 1.077 364 A CA -0.218 51.881 52.037 0.103 0.000 0.781 364 A CB -0.047 19.001 19.000 0.081 0.000 1.020 364 A HN 0.689 nan 8.150 nan 0.000 0.494 365 D N 2.030 122.466 120.400 0.060 0.000 2.373 365 D HA 0.298 4.941 4.640 0.004 0.000 0.227 365 D C -1.424 174.898 176.300 0.037 0.000 1.091 365 D CA -2.084 51.944 54.000 0.046 0.000 0.840 365 D CB 1.209 42.032 40.800 0.039 0.000 1.060 365 D HN 0.186 nan 8.370 nan 0.000 0.502 366 P HA -0.159 nan 4.420 nan 0.000 0.221 366 P C 0.912 178.226 177.300 0.024 0.000 1.145 366 P CA 0.713 63.829 63.100 0.026 0.000 0.795 366 P CB 0.218 31.929 31.700 0.018 0.000 0.775 367 A N -0.954 121.879 122.820 0.022 0.000 2.209 367 A HA 0.006 4.328 4.320 0.004 0.000 0.212 367 A C 2.048 179.644 177.584 0.021 0.000 1.158 367 A CA 0.904 52.952 52.037 0.019 0.000 0.742 367 A CB -0.923 18.087 19.000 0.018 0.000 0.790 367 A HN 0.049 nan 8.150 nan 0.000 0.472 368 M N -1.091 118.524 119.600 0.025 0.000 2.541 368 M HA 0.149 4.632 4.480 0.004 0.000 0.252 368 M C 2.280 178.595 176.300 0.026 0.000 1.125 368 M CA 0.833 56.148 55.300 0.026 0.000 1.091 368 M CB -1.140 31.474 32.600 0.024 0.000 1.420 368 M HN 0.463 nan 8.290 nan 0.000 0.486 369 A N 0.794 123.631 122.820 0.027 0.000 1.948 369 A HA -0.175 4.148 4.320 0.004 0.000 0.220 369 A C 1.984 179.584 177.584 0.025 0.000 1.177 369 A CA 1.538 53.593 52.037 0.030 0.000 0.636 369 A CB -0.512 18.509 19.000 0.036 0.000 0.815 369 A HN 0.451 nan 8.150 nan 0.000 0.449 370 E N -0.245 119.967 120.200 0.021 0.000 2.333 370 E HA -0.161 4.191 4.350 0.004 0.000 0.198 370 E C 1.871 178.480 176.600 0.015 0.000 1.007 370 E CA 0.680 57.087 56.400 0.012 0.000 0.845 370 E CB -0.218 29.484 29.700 0.003 0.000 0.766 370 E HN 0.622 nan 8.360 nan 0.000 0.507 371 Q N 0.146 119.969 119.800 0.037 0.000 2.224 371 Q HA -0.074 4.269 4.340 0.004 0.000 0.203 371 Q C 0.947 177.018 176.000 0.118 0.000 0.970 371 Q CA 0.195 56.052 55.803 0.091 0.000 0.865 371 Q CB -0.430 28.375 28.738 0.113 0.000 0.922 371 Q HN 0.196 nan 8.270 nan 0.000 0.445 372 L N 1.061 122.313 121.223 0.049 0.000 2.597 372 L HA 0.171 4.513 4.340 0.004 0.000 0.271 372 L C 0.857 177.736 176.870 0.015 0.000 1.157 372 L CA 1.379 56.231 54.840 0.020 0.000 0.928 372 L CB 0.024 42.072 42.059 -0.019 0.000 1.216 372 L HN 0.466 nan 8.230 nan 0.000 0.481 373 G N 3.014 111.835 108.800 0.035 0.000 2.160 373 G HA2 -0.332 3.631 3.960 0.004 0.000 0.251 373 G HA3 -0.332 3.631 3.960 0.004 0.000 0.251 373 G C 0.538 175.418 174.900 -0.033 0.000 1.008 373 G CA 0.389 45.476 45.100 -0.022 0.000 0.724 373 G HN 0.689 nan 8.290 nan 0.000 0.514 374 K N -0.255 120.130 120.400 -0.026 0.000 2.451 374 K HA 0.178 4.501 4.320 0.004 0.000 0.280 374 K C 1.716 178.186 176.600 -0.218 0.000 1.020 374 K CA 0.092 56.258 56.287 -0.202 0.000 1.008 374 K CB 0.523 32.755 32.500 -0.446 0.000 0.917 374 K HN 0.184 nan 8.250 nan 0.000 0.478 375 Q N 2.982 122.690 119.800 -0.154 0.000 2.156 375 Q HA -0.266 4.076 4.340 0.004 0.000 0.211 375 Q C 0.756 176.683 176.000 -0.121 0.000 0.995 375 Q CA 2.214 57.947 55.803 -0.117 0.000 0.877 375 Q CB 0.034 28.719 28.738 -0.087 0.000 0.920 375 Q HN 0.666 nan 8.270 nan 0.000 0.416 376 E N -1.155 118.939 120.200 -0.176 0.000 2.118 376 E HA -0.191 4.161 4.350 0.004 0.000 0.195 376 E C 1.947 178.524 176.600 -0.039 0.000 0.992 376 E CA 1.484 57.808 56.400 -0.126 0.000 0.804 376 E CB -0.232 29.374 29.700 -0.157 0.000 0.741 376 E HN 0.531 nan 8.360 nan 0.000 0.458 377 H N 0.165 119.230 119.070 -0.008 0.000 2.357 377 H HA 0.051 4.610 4.556 0.004 0.000 0.301 377 H C 2.033 177.301 175.328 -0.100 0.000 1.082 377 H CA 1.223 57.287 56.048 0.027 0.000 1.342 377 H CB -0.152 29.635 29.762 0.041 0.000 1.389 377 H HN 0.108 nan 8.280 nan 0.000 0.511 378 R N 0.437 120.909 120.500 -0.047 0.000 2.096 378 R HA -0.102 4.241 4.340 0.004 0.000 0.235 378 R C 1.728 177.965 176.300 -0.104 0.000 1.127 378 R CA 1.313 57.322 56.100 -0.152 0.000 0.968 378 R CB 0.023 30.242 30.300 -0.134 0.000 0.861 378 R HN 0.331 nan 8.270 nan 0.000 0.440 379 D N 0.858 121.227 120.400 -0.052 0.000 2.144 379 D HA -0.150 4.492 4.640 0.004 0.000 0.199 379 D C 1.872 178.164 176.300 -0.014 0.000 0.984 379 D CA 0.834 54.813 54.000 -0.034 0.000 0.834 379 D CB -0.161 40.628 40.800 -0.019 0.000 0.955 379 D HN 0.072 nan 8.370 nan 0.000 0.465 380 L N 1.072 122.321 121.223 0.042 0.000 2.017 380 L HA -0.085 4.257 4.340 0.004 0.000 0.208 380 L C 2.173 179.116 176.870 0.122 0.000 1.073 380 L CA 1.919 56.822 54.840 0.105 0.000 0.745 380 L CB -0.747 41.449 42.059 0.228 0.000 0.894 380 L HN -0.032 nan 8.230 nan 0.000 0.432 381 A N -0.275 122.577 122.820 0.053 0.000 1.908 381 A HA -0.275 4.047 4.320 0.004 0.000 0.218 381 A C 2.528 180.082 177.584 -0.050 0.000 1.181 381 A CA 1.908 53.905 52.037 -0.066 0.000 0.627 381 A CB -0.732 17.898 19.000 -0.616 0.000 0.818 381 A HN 0.543 nan 8.150 nan 0.000 0.445 382 R N -0.194 120.255 120.500 -0.084 0.000 2.096 382 R HA -0.218 4.125 4.340 0.004 0.000 0.240 382 R C 2.246 178.494 176.300 -0.087 0.000 1.139 382 R CA 1.993 58.046 56.100 -0.077 0.000 0.952 382 R CB -0.338 29.917 30.300 -0.074 0.000 0.854 382 R HN 0.732 nan 8.270 nan 0.000 0.436 383 E N -0.322 119.823 120.200 -0.092 0.000 2.051 383 E HA -0.215 4.138 4.350 0.004 0.000 0.192 383 E C 1.801 178.350 176.600 -0.085 0.000 0.991 383 E CA 1.266 57.578 56.400 -0.146 0.000 0.799 383 E CB -0.152 29.477 29.700 -0.118 0.000 0.748 383 E HN 0.494 nan 8.360 nan 0.000 0.449 384 A N 1.396 124.215 122.820 -0.002 0.000 1.877 384 A HA -0.141 4.182 4.320 0.004 0.000 0.216 384 A C 2.432 180.045 177.584 0.049 0.000 1.186 384 A CA 2.032 54.095 52.037 0.043 0.000 0.620 384 A CB -0.897 18.178 19.000 0.126 0.000 0.822 384 A HN 0.436 nan 8.150 nan 0.000 0.443 385 A N -0.212 122.631 122.820 0.038 0.000 1.873 385 A HA -0.239 4.084 4.320 0.004 0.000 0.218 385 A C 2.317 179.919 177.584 0.030 0.000 1.193 385 A CA 1.985 54.052 52.037 0.051 0.000 0.629 385 A CB -0.640 18.370 19.000 0.017 0.000 0.826 385 A HN 0.490 nan 8.150 nan 0.000 0.447 386 R N 0.285 120.757 120.500 -0.047 0.000 2.083 386 R HA -0.157 4.185 4.340 0.004 0.000 0.237 386 R C 1.846 178.102 176.300 -0.073 0.000 1.137 386 R CA 2.128 58.164 56.100 -0.107 0.000 0.951 386 R CB -0.453 29.716 30.300 -0.217 0.000 0.851 386 R HN 0.577 nan 8.270 nan 0.000 0.434 387 K N 0.410 120.777 120.400 -0.054 0.000 2.362 387 K HA -0.052 4.271 4.320 0.004 0.000 0.200 387 K C 1.854 178.506 176.600 0.087 0.000 1.046 387 K CA 1.370 57.657 56.287 -0.001 0.000 0.952 387 K CB 0.028 32.521 32.500 -0.011 0.000 0.753 387 K HN 0.321 nan 8.250 nan 0.000 0.466 388 S N 0.313 116.094 115.700 0.134 0.000 2.524 388 S HA 0.088 4.560 4.470 0.004 0.000 0.216 388 S C 0.784 175.630 174.600 0.409 0.000 0.987 388 S CA -0.371 57.978 58.200 0.248 0.000 0.909 388 S CB -0.222 63.134 63.200 0.260 0.000 0.781 388 S HN 0.066 nan 8.310 nan 0.000 0.521 389 L N 2.356 123.746 121.223 0.279 0.000 2.456 389 L HA 0.334 4.677 4.340 0.004 0.000 0.272 389 L C -0.587 176.477 176.870 0.324 0.000 1.189 389 L CA -0.499 54.505 54.840 0.273 0.000 0.846 389 L CB 0.696 42.890 42.059 0.225 0.000 1.111 389 L HN 0.055 nan 8.230 nan 0.000 0.475 390 V N 4.371 124.416 119.914 0.218 0.000 2.407 390 V HA 0.224 4.347 4.120 0.004 0.000 0.291 390 V C -0.144 175.919 176.094 -0.052 0.000 1.018 390 V CA -0.580 61.813 62.300 0.155 0.000 0.842 390 V CB 1.776 33.742 31.823 0.239 0.000 0.996 390 V HN 0.408 nan 8.190 nan 0.000 0.426 391 L N 5.753 126.889 121.223 -0.146 0.000 2.369 391 L HA 0.358 4.701 4.340 0.004 0.000 0.279 391 L C 0.667 177.357 176.870 -0.300 0.000 1.108 391 L CA 0.716 55.308 54.840 -0.413 0.000 0.852 391 L CB 0.591 42.216 42.059 -0.724 0.000 1.169 391 L HN 0.604 nan 8.230 nan 0.000 0.452 392 L N 3.562 124.585 121.223 -0.333 0.000 2.357 392 L HA 0.261 4.603 4.340 0.004 0.000 0.211 392 L C 0.688 177.464 176.870 -0.157 0.000 1.075 392 L CA 0.193 54.826 54.840 -0.344 0.000 0.830 392 L CB -0.057 41.551 42.059 -0.751 0.000 0.996 392 L HN 0.575 nan 8.230 nan 0.000 0.467 393 K N 0.093 120.378 120.400 -0.192 0.000 2.502 393 K HA 0.294 4.617 4.320 0.004 0.000 0.257 393 K C -1.317 175.185 176.600 -0.163 0.000 0.938 393 K CA -0.504 55.716 56.287 -0.112 0.000 0.819 393 K CB 1.973 34.418 32.500 -0.092 0.000 1.333 393 K HN -0.236 nan 8.250 nan 0.000 0.434 394 N N 1.626 120.252 118.700 -0.123 0.000 2.700 394 N HA 0.310 5.053 4.740 0.004 0.000 0.242 394 N C -1.847 173.612 175.510 -0.085 0.000 1.541 394 N CA 0.343 53.309 53.050 -0.139 0.000 0.764 394 N CB 1.451 39.831 38.487 -0.178 0.000 1.319 394 N HN 0.877 nan 8.380 nan 0.000 0.518 395 G N 1.335 110.094 108.800 -0.069 0.000 2.760 395 G HA2 -0.068 3.894 3.960 0.004 0.000 0.540 395 G HA3 -0.068 3.894 3.960 0.004 0.000 0.540 395 G C 0.274 175.154 174.900 -0.033 0.000 1.476 395 G CA -0.709 44.365 45.100 -0.044 0.000 0.949 395 G HN 0.206 nan 8.290 nan 0.000 0.633 396 K N -0.488 119.897 120.400 -0.026 0.000 2.147 396 K HA 0.003 4.326 4.320 0.004 0.000 0.205 396 K C 1.608 178.198 176.600 -0.017 0.000 1.049 396 K CA 1.820 58.094 56.287 -0.021 0.000 0.936 396 K CB -0.006 32.484 32.500 -0.016 0.000 0.722 396 K HN 0.919 nan 8.250 nan 0.000 0.446 397 T N -3.130 111.416 114.554 -0.013 0.000 2.896 397 T HA 0.133 4.485 4.350 0.004 0.000 0.297 397 T C 0.971 175.666 174.700 -0.008 0.000 1.108 397 T CA -0.375 61.719 62.100 -0.010 0.000 1.004 397 T CB 1.830 70.693 68.868 -0.008 0.000 1.159 397 T HN 0.045 nan 8.240 nan 0.000 0.499 398 S N 0.664 116.361 115.700 -0.006 0.000 2.462 398 S HA -0.145 4.328 4.470 0.004 0.000 0.243 398 S C 1.593 176.191 174.600 -0.004 0.000 1.003 398 S CA 1.763 59.961 58.200 -0.003 0.000 0.970 398 S CB -1.279 61.920 63.200 -0.002 0.000 0.762 398 S HN 1.184 nan 8.310 nan 0.000 0.510 399 T N -2.882 111.670 114.554 -0.004 0.000 3.044 399 T HA 0.301 4.653 4.350 0.004 0.000 0.260 399 T C -0.246 174.453 174.700 -0.003 0.000 1.019 399 T CA -0.471 61.627 62.100 -0.002 0.000 0.921 399 T CB -0.219 68.649 68.868 -0.001 0.000 1.053 399 T HN 0.138 nan 8.240 nan 0.000 0.533 400 D N 2.483 122.880 120.400 -0.005 0.000 2.382 400 D HA 0.543 5.185 4.640 0.004 0.000 0.240 400 D C 0.273 176.569 176.300 -0.006 0.000 1.146 400 D CA 0.079 54.076 54.000 -0.005 0.000 0.897 400 D CB 0.807 41.602 40.800 -0.009 0.000 1.197 400 D HN 0.498 nan 8.370 nan 0.000 0.432 401 A N 2.379 125.197 122.820 -0.003 0.000 2.440 401 A HA 0.397 4.720 4.320 0.004 0.000 0.251 401 A C -2.092 175.484 177.584 -0.014 0.000 1.089 401 A CA -1.080 50.954 52.037 -0.004 0.000 0.779 401 A CB -0.180 18.823 19.000 0.004 0.000 1.022 401 A HN 0.367 nan 8.150 nan 0.000 0.492 402 P HA 0.049 nan 4.420 nan 0.000 0.262 402 P C 0.772 178.047 177.300 -0.042 0.000 1.199 402 P CA -0.262 62.817 63.100 -0.035 0.000 0.763 402 P CB 0.523 32.205 31.700 -0.030 0.000 0.790 403 L N 5.192 126.378 121.223 -0.062 0.000 2.056 403 L HA -0.019 4.324 4.340 0.004 0.000 0.207 403 L C 0.464 177.268 176.870 -0.109 0.000 1.078 403 L CA 1.737 56.529 54.840 -0.080 0.000 0.749 403 L CB -0.443 41.561 42.059 -0.091 0.000 0.901 403 L HN 0.243 nan 8.230 nan 0.000 0.433 404 L N 0.511 121.670 121.223 -0.107 0.000 2.325 404 L HA 0.395 4.737 4.340 0.004 0.000 0.279 404 L C -2.083 174.776 176.870 -0.017 0.000 1.054 404 L CA -2.139 52.653 54.840 -0.080 0.000 0.804 404 L CB 0.592 42.608 42.059 -0.071 0.000 1.200 404 L HN -0.050 nan 8.230 nan 0.000 0.436 405 P HA 0.223 nan 4.420 nan 0.000 0.275 405 P C -0.793 176.472 177.300 -0.058 0.000 1.228 405 P CA -0.301 62.804 63.100 0.008 0.000 0.786 405 P CB 0.623 32.357 31.700 0.055 0.000 0.927 406 L N 4.318 125.448 121.223 -0.154 0.000 2.375 406 L HA 0.394 4.736 4.340 0.004 0.000 0.271 406 L C -1.801 175.131 176.870 0.104 0.000 1.107 406 L CA -2.101 52.596 54.840 -0.239 0.000 0.806 406 L CB 0.646 42.277 42.059 -0.714 0.000 1.146 406 L HN 0.260 nan 8.230 nan 0.000 0.447 407 P HA 0.069 nan 4.420 nan 0.000 0.271 407 P C -0.536 176.978 177.300 0.357 0.000 1.216 407 P CA -0.253 62.995 63.100 0.246 0.000 0.771 407 P CB 0.948 32.784 31.700 0.227 0.000 0.864 408 K N 1.454 121.970 120.400 0.195 0.000 2.366 408 K HA -0.026 4.296 4.320 0.004 0.000 0.198 408 K C 1.045 177.664 176.600 0.033 0.000 1.044 408 K CA 0.855 57.143 56.287 0.002 0.000 0.973 408 K CB 0.152 32.581 32.500 -0.119 0.000 0.767 408 K HN 0.382 nan 8.250 nan 0.000 0.475 409 K N 1.000 121.453 120.400 0.088 0.000 2.339 409 K HA 0.422 4.744 4.320 0.004 0.000 0.264 409 K C -1.632 175.028 176.600 0.101 0.000 0.986 409 K CA -0.366 55.961 56.287 0.066 0.000 0.866 409 K CB 1.447 33.971 32.500 0.040 0.000 1.103 409 K HN -0.018 nan 8.250 nan 0.000 0.441 410 A N 4.993 127.857 122.820 0.073 0.000 2.572 410 A HA 0.481 4.804 4.320 0.004 0.000 0.295 410 A C -2.557 175.030 177.584 0.005 0.000 1.072 410 A CA -1.384 50.682 52.037 0.048 0.000 0.691 410 A CB 1.445 20.455 19.000 0.016 0.000 1.291 410 A HN 0.534 nan 8.150 nan 0.000 0.404 411 P HA -0.087 nan 4.420 nan 0.000 0.214 411 P C 0.108 177.401 177.300 -0.011 0.000 1.163 411 P CA 1.491 64.585 63.100 -0.010 0.000 0.883 411 P CB 0.254 31.944 31.700 -0.018 0.000 0.788 412 K N -0.382 120.009 120.400 -0.015 0.000 2.535 412 K HA 0.453 4.775 4.320 0.004 0.000 0.251 412 K C -1.222 175.429 176.600 0.085 0.000 0.942 412 K CA -0.776 55.535 56.287 0.041 0.000 0.798 412 K CB 1.152 33.658 32.500 0.009 0.000 1.267 412 K HN -0.046 nan 8.250 nan 0.000 0.434 413 I N 0.716 121.336 120.570 0.084 0.000 2.892 413 I HA 0.621 4.794 4.170 0.004 0.000 0.306 413 I C -1.676 174.387 176.117 -0.090 0.000 1.078 413 I CA -1.373 59.879 61.300 -0.081 0.000 1.032 413 I CB 1.907 39.715 38.000 -0.320 0.000 1.229 413 I HN 0.481 nan 8.210 nan 0.000 0.435 414 L N 4.607 125.592 121.223 -0.396 0.000 2.325 414 L HA 0.658 5.001 4.340 0.004 0.000 0.281 414 L C -1.149 175.620 176.870 -0.168 0.000 1.004 414 L CA -0.435 54.065 54.840 -0.566 0.000 0.823 414 L CB 1.690 42.925 42.059 -1.375 0.000 1.236 414 L HN 0.526 nan 8.230 nan 0.000 0.415 415 V N 5.200 125.109 119.914 -0.007 0.000 2.398 415 V HA 0.954 5.077 4.120 0.004 0.000 0.286 415 V C 0.175 176.342 176.094 0.123 0.000 1.026 415 V CA 0.086 62.467 62.300 0.134 0.000 0.868 415 V CB 0.853 32.830 31.823 0.256 0.000 0.982 415 V HN 1.030 nan 8.190 nan 0.000 0.443 416 A N 3.450 126.312 122.820 0.070 0.000 2.593 416 A HA 1.057 5.379 4.320 0.004 0.000 0.290 416 A C -0.085 177.539 177.584 0.068 0.000 1.126 416 A CA -0.237 51.777 52.037 -0.039 0.000 0.695 416 A CB 1.843 20.759 19.000 -0.141 0.000 1.290 416 A HN 2.190 nan 8.150 nan 0.000 0.414 417 G N -0.997 107.823 108.800 0.033 0.000 2.539 417 G HA2 0.355 4.318 3.960 0.004 0.000 0.686 417 G HA3 0.355 4.318 3.960 0.004 0.000 0.686 417 G C 0.553 175.587 174.900 0.223 0.000 1.258 417 G CA 0.430 45.603 45.100 0.121 0.000 0.846 417 G HN 2.135 nan 8.290 nan 0.000 0.647 418 S N -0.661 115.209 115.700 0.283 0.000 2.442 418 S HA -0.093 4.380 4.470 0.004 0.000 0.236 418 S C 1.411 176.227 174.600 0.361 0.000 1.007 418 S CA 2.097 60.502 58.200 0.341 0.000 0.965 418 S CB -0.158 63.298 63.200 0.427 0.000 0.773 418 S HN 0.845 nan 8.310 nan 0.000 0.504 419 H N 0.374 119.588 119.070 0.242 0.000 2.652 419 H HA 0.631 5.189 4.556 0.004 0.000 0.274 419 H C 1.941 177.360 175.328 0.151 0.000 1.021 419 H CA 0.009 56.197 56.048 0.233 0.000 1.187 419 H CB -0.113 29.765 29.762 0.193 0.000 1.505 419 H HN 0.489 nan 8.280 nan 0.000 0.530 420 A N 0.226 123.210 122.820 0.274 0.000 1.930 420 A HA -0.109 4.213 4.320 0.004 0.000 0.217 420 A C 0.839 178.468 177.584 0.074 0.000 1.175 420 A CA 1.824 53.990 52.037 0.216 0.000 0.627 420 A CB 0.100 19.314 19.000 0.358 0.000 0.815 420 A HN 0.308 nan 8.150 nan 0.000 0.443 421 D N -0.896 119.504 120.400 0.001 0.000 2.861 421 D HA 0.158 4.800 4.640 0.004 0.000 0.357 421 D C -0.961 175.245 176.300 -0.156 0.000 1.250 421 D CA -0.328 53.561 54.000 -0.184 0.000 0.802 421 D CB -0.219 40.254 40.800 -0.545 0.000 1.141 421 D HN 0.149 nan 8.370 nan 0.000 0.489 422 N N 2.168 120.795 118.700 -0.122 0.000 2.648 422 N HA 0.050 4.792 4.740 0.004 0.000 0.261 422 N C 0.569 175.993 175.510 -0.143 0.000 1.138 422 N CA -0.410 52.502 53.050 -0.229 0.000 0.804 422 N CB 1.005 39.217 38.487 -0.459 0.000 1.237 422 N HN 0.180 nan 8.380 nan 0.000 0.532 423 L N 3.596 124.749 121.223 -0.116 0.000 2.081 423 L HA 0.059 4.401 4.340 0.004 0.000 0.212 423 L C 1.954 178.800 176.870 -0.039 0.000 1.080 423 L CA 2.342 57.142 54.840 -0.066 0.000 0.754 423 L CB -0.566 41.450 42.059 -0.071 0.000 0.893 423 L HN 0.617 nan 8.230 nan 0.000 0.433 424 G N -1.956 106.800 108.800 -0.072 0.000 2.402 424 G HA2 -0.276 3.686 3.960 0.004 0.000 0.216 424 G HA3 -0.276 3.686 3.960 0.004 0.000 0.216 424 G C 1.369 176.333 174.900 0.106 0.000 1.162 424 G CA 0.663 45.757 45.100 -0.009 0.000 0.777 424 G HN 0.389 nan 8.290 nan 0.000 0.539 425 Y N 0.641 120.869 120.300 -0.119 0.000 2.242 425 Y HA -0.078 4.475 4.550 0.004 0.000 0.291 425 Y C 2.877 178.771 175.900 -0.010 0.000 1.137 425 Y CA 0.918 58.934 58.100 -0.140 0.000 1.181 425 Y CB -0.913 37.301 38.460 -0.411 0.000 0.989 425 Y HN 0.337 nan 8.280 nan 0.000 0.527 426 Q N -0.921 118.983 119.800 0.174 0.000 2.170 426 Q HA -0.170 4.172 4.340 0.004 0.000 0.203 426 Q C 2.075 178.135 176.000 0.100 0.000 0.976 426 Q CA 1.801 57.685 55.803 0.135 0.000 0.858 426 Q CB -0.103 28.683 28.738 0.080 0.000 0.907 426 Q HN 0.461 nan 8.270 nan 0.000 0.433 427 C N -0.492 118.858 119.300 0.083 0.000 2.504 427 C HA 0.355 4.818 4.460 0.004 0.000 0.279 427 C C 1.317 176.388 174.990 0.135 0.000 1.358 427 C CA 0.339 59.414 59.018 0.095 0.000 1.747 427 C CB -0.857 26.924 27.740 0.068 0.000 2.037 427 C HN 0.834 nan 8.230 nan 0.000 0.503 428 G N -0.052 108.782 108.800 0.057 0.000 2.741 428 G HA2 0.178 4.141 3.960 0.004 0.000 0.222 428 G HA3 0.178 4.141 3.960 0.004 0.000 0.222 428 G C 0.103 174.963 174.900 -0.068 0.000 1.364 428 G CA -0.515 44.521 45.100 -0.106 0.000 0.866 428 G HN 0.888 nan 8.290 nan 0.000 0.555 429 G N -2.454 106.160 108.800 -0.310 0.000 2.690 429 G HA2 0.427 4.389 3.960 0.004 0.000 0.239 429 G HA3 0.427 4.389 3.960 0.004 0.000 0.239 429 G C 0.549 175.572 174.900 0.204 0.000 1.233 429 G CA 0.916 45.912 45.100 -0.174 0.000 0.847 429 G HN 1.874 nan 8.290 nan 0.000 0.588 430 W N -1.465 119.906 121.300 0.118 0.000 5.324 430 W HA -0.174 4.489 4.660 0.005 0.000 0.404 430 W C 0.191 176.926 176.519 0.359 0.000 1.566 430 W CA 0.512 58.014 57.345 0.261 0.000 0.927 430 W CB -1.838 27.796 29.460 0.289 0.000 2.757 430 W HN 0.651 nan 8.180 nan 0.000 1.382 431 T N 0.778 115.580 114.554 0.412 0.000 3.170 431 T HA 0.390 4.743 4.350 0.004 0.000 0.315 431 T C 0.679 175.503 174.700 0.207 0.000 0.967 431 T CA -0.251 62.028 62.100 0.299 0.000 1.024 431 T CB 1.648 70.651 68.868 0.226 0.000 1.018 431 T HN 0.085 nan 8.240 nan 0.000 0.449 432 I N -0.346 120.350 120.570 0.209 0.000 4.608 432 I HA -0.252 3.921 4.170 0.004 0.000 0.051 432 I C 0.699 176.949 176.117 0.222 0.000 0.619 432 I CA 1.709 63.132 61.300 0.204 0.000 0.844 432 I CB -1.310 36.790 38.000 0.166 0.000 0.772 432 I HN 0.547 nan 8.210 nan 0.000 0.161 433 E N -0.015 120.295 120.200 0.184 0.000 2.232 433 E HA 0.097 4.449 4.350 0.004 0.000 0.265 433 E C 0.505 177.219 176.600 0.190 0.000 1.001 433 E CA -0.367 56.138 56.400 0.175 0.000 0.870 433 E CB 0.794 30.563 29.700 0.114 0.000 1.175 433 E HN 0.383 nan 8.360 nan 0.000 0.407 434 W N 1.919 123.178 121.300 -0.069 0.000 2.353 434 W HA -0.145 4.518 4.660 0.004 0.000 0.319 434 W C 1.366 177.655 176.519 -0.384 0.000 1.207 434 W CA 1.434 58.603 57.345 -0.294 0.000 1.291 434 W CB -0.027 29.227 29.460 -0.343 0.000 1.159 434 W HN 0.352 nan 8.180 nan 0.000 0.478 435 Q N 1.095 120.668 119.800 -0.378 0.000 2.466 435 Q HA 0.220 4.563 4.340 0.004 0.000 0.210 435 Q C 1.031 176.887 176.000 -0.239 0.000 0.961 435 Q CA 1.149 56.646 55.803 -0.509 0.000 0.953 435 Q CB -0.724 27.797 28.738 -0.362 0.000 1.011 435 Q HN 0.418 nan 8.270 nan 0.000 0.516 436 G N 1.019 109.751 108.800 -0.113 0.000 2.741 436 G HA2 -0.180 3.782 3.960 0.004 0.000 0.222 436 G HA3 -0.180 3.782 3.960 0.004 0.000 0.222 436 G C -0.812 174.098 174.900 0.017 0.000 1.364 436 G CA -0.104 44.988 45.100 -0.014 0.000 0.866 436 G HN 0.308 nan 8.290 nan 0.000 0.555 437 D N -2.322 118.105 120.400 0.045 0.000 2.692 437 D HA 0.664 5.306 4.640 0.004 0.000 0.290 437 D C -0.235 176.090 176.300 0.043 0.000 1.281 437 D CA 0.546 54.573 54.000 0.044 0.000 0.804 437 D CB 1.697 42.519 40.800 0.037 0.000 1.331 437 D HN 0.708 nan 8.370 nan 0.000 0.432 438 T N -0.457 114.084 114.554 -0.021 0.000 2.929 438 T HA 0.666 5.019 4.350 0.004 0.000 0.284 438 T C 0.465 175.027 174.700 -0.230 0.000 1.014 438 T CA 1.155 63.126 62.100 -0.215 0.000 1.051 438 T CB 0.492 69.213 68.868 -0.244 0.000 1.028 438 T HN 0.835 nan 8.240 nan 0.000 0.485 439 G N 2.696 111.286 108.800 -0.350 0.000 2.681 439 G HA2 -0.189 3.774 3.960 0.004 0.000 0.220 439 G HA3 -0.189 3.774 3.960 0.004 0.000 0.220 439 G C -0.259 174.559 174.900 -0.136 0.000 1.353 439 G CA -0.050 44.916 45.100 -0.222 0.000 0.872 439 G HN 0.950 nan 8.290 nan 0.000 0.557 440 R N 0.628 121.074 120.500 -0.089 0.000 3.268 440 R HA 0.427 4.770 4.340 0.004 0.000 0.217 440 R C 1.869 178.175 176.300 0.009 0.000 1.568 440 R CA 0.849 56.922 56.100 -0.046 0.000 1.322 440 R CB -0.681 29.596 30.300 -0.039 0.000 1.280 440 R HN 0.795 nan 8.270 nan 0.000 0.667 441 T N -1.831 112.732 114.554 0.016 0.000 3.148 441 T HA 0.042 4.395 4.350 0.004 0.000 0.253 441 T C 0.742 175.530 174.700 0.145 0.000 1.134 441 T CA 0.470 62.617 62.100 0.077 0.000 1.051 441 T CB 0.286 69.191 68.868 0.061 0.000 0.959 441 T HN 0.399 nan 8.240 nan 0.000 0.525 442 T N -0.328 114.264 114.554 0.064 0.000 2.658 442 T HA 0.418 4.771 4.350 0.004 0.000 0.306 442 T C -1.769 172.828 174.700 -0.172 0.000 1.544 442 T CA -0.597 61.450 62.100 -0.088 0.000 0.991 442 T CB 1.153 69.919 68.868 -0.170 0.000 1.774 442 T HN -0.076 nan 8.240 nan 0.000 0.479 443 V N 2.296 121.997 119.914 -0.356 0.000 2.427 443 V HA 0.671 4.793 4.120 0.004 0.000 0.268 443 V C 1.089 177.076 176.094 -0.177 0.000 1.046 443 V CA 0.997 63.156 62.300 -0.234 0.000 0.970 443 V CB 0.081 31.738 31.823 -0.278 0.000 1.001 443 V HN 1.129 nan 8.190 nan 0.000 0.476 444 G N 3.763 112.489 108.800 -0.123 0.000 2.570 444 G HA2 0.618 4.581 3.960 0.004 0.000 0.310 444 G HA3 0.618 4.581 3.960 0.004 0.000 0.310 444 G C -1.033 173.817 174.900 -0.084 0.000 1.266 444 G CA -0.393 44.639 45.100 -0.112 0.000 0.825 444 G HN 0.432 nan 8.290 nan 0.000 0.483 445 T N 1.105 115.615 114.554 -0.074 0.000 2.949 445 T HA 0.582 4.935 4.350 0.004 0.000 0.300 445 T C 0.327 175.000 174.700 -0.045 0.000 0.988 445 T CA -0.101 61.965 62.100 -0.056 0.000 0.993 445 T CB 1.077 69.917 68.868 -0.046 0.000 0.984 445 T HN 0.982 nan 8.240 nan 0.000 0.442 446 T N 0.651 115.175 114.554 -0.050 0.000 2.788 446 T HA 0.473 4.825 4.350 0.004 0.000 0.287 446 T C 1.740 176.433 174.700 -0.012 0.000 1.007 446 T CA -0.790 61.287 62.100 -0.039 0.000 1.005 446 T CB 0.469 69.290 68.868 -0.077 0.000 1.012 446 T HN 0.428 nan 8.240 nan 0.000 0.530 447 I N 0.404 120.984 120.570 0.017 0.000 2.208 447 I HA -0.111 4.062 4.170 0.004 0.000 0.245 447 I C 2.414 178.561 176.117 0.050 0.000 1.097 447 I CA 1.119 62.450 61.300 0.052 0.000 1.363 447 I CB -0.529 37.518 38.000 0.079 0.000 1.051 447 I HN 0.535 nan 8.210 nan 0.000 0.413 448 L N 0.992 122.213 121.223 -0.002 0.000 2.012 448 L HA -0.228 4.114 4.340 0.004 0.000 0.210 448 L C 2.316 179.169 176.870 -0.028 0.000 1.073 448 L CA 1.953 56.772 54.840 -0.035 0.000 0.748 448 L CB -0.612 41.300 42.059 -0.245 0.000 0.891 448 L HN 0.176 nan 8.230 nan 0.000 0.431 449 E N -0.484 119.684 120.200 -0.053 0.000 2.077 449 E HA -0.201 4.151 4.350 0.004 0.000 0.193 449 E C 2.206 178.805 176.600 -0.001 0.000 0.989 449 E CA 1.253 57.630 56.400 -0.039 0.000 0.800 449 E CB -0.347 29.322 29.700 -0.053 0.000 0.746 449 E HN 0.668 nan 8.360 nan 0.000 0.452 450 A N 0.626 123.459 122.820 0.021 0.000 1.902 450 A HA -0.162 4.160 4.320 0.004 0.000 0.217 450 A C 2.464 180.102 177.584 0.090 0.000 1.181 450 A CA 1.246 53.314 52.037 0.051 0.000 0.623 450 A CB -0.678 18.364 19.000 0.070 0.000 0.818 450 A HN 0.133 nan 8.150 nan 0.000 0.443 451 V N 0.236 120.233 119.914 0.137 0.000 2.287 451 V HA -0.299 3.824 4.120 0.004 0.000 0.248 451 V C 2.431 178.562 176.094 0.062 0.000 1.053 451 V CA 2.421 64.844 62.300 0.205 0.000 1.027 451 V CB -0.696 31.281 31.823 0.257 0.000 0.646 451 V HN 0.557 nan 8.190 nan 0.000 0.447 452 K N 0.218 120.643 120.400 0.043 0.000 2.209 452 K HA -0.099 4.224 4.320 0.004 0.000 0.204 452 K C 2.005 178.591 176.600 -0.022 0.000 1.048 452 K CA 1.415 57.707 56.287 0.008 0.000 0.940 452 K CB -0.309 32.194 32.500 0.006 0.000 0.729 452 K HN 0.499 nan 8.250 nan 0.000 0.451 453 A N 0.341 123.149 122.820 -0.020 0.000 2.208 453 A HA 0.193 4.515 4.320 0.004 0.000 0.209 453 A C 1.894 179.442 177.584 -0.059 0.000 1.161 453 A CA 1.032 53.051 52.037 -0.031 0.000 0.782 453 A CB -0.037 18.953 19.000 -0.016 0.000 0.816 453 A HN 0.281 nan 8.150 nan 0.000 0.477 454 A N -0.365 122.390 122.820 -0.109 0.000 2.055 454 A HA 0.438 4.760 4.320 0.004 0.000 0.205 454 A C 1.141 178.526 177.584 -0.332 0.000 1.235 454 A CA 0.700 52.609 52.037 -0.214 0.000 0.822 454 A CB -0.782 18.057 19.000 -0.268 0.000 0.903 454 A HN 0.848 nan 8.150 nan 0.000 0.473 455 V N -0.606 119.107 119.914 -0.335 0.000 3.237 455 V HA 0.202 4.324 4.120 0.004 0.000 0.305 455 V C 0.224 176.233 176.094 -0.141 0.000 1.096 455 V CA -0.790 61.343 62.300 -0.278 0.000 1.130 455 V CB 0.276 32.005 31.823 -0.157 0.000 1.048 455 V HN 0.416 nan 8.190 nan 0.000 0.484 456 D N 3.372 123.714 120.400 -0.096 0.000 2.399 456 D HA 0.112 4.755 4.640 0.004 0.000 0.241 456 D C -1.391 174.888 176.300 -0.036 0.000 1.133 456 D CA -1.207 52.761 54.000 -0.052 0.000 0.890 456 D CB 1.808 42.592 40.800 -0.027 0.000 1.201 456 D HN 0.522 nan 8.370 nan 0.000 0.432 457 P HA -0.145 nan 4.420 nan 0.000 0.221 457 P C 1.134 178.429 177.300 -0.009 0.000 1.145 457 P CA 0.901 63.990 63.100 -0.017 0.000 0.795 457 P CB 0.088 31.779 31.700 -0.015 0.000 0.775 458 S N -1.963 113.733 115.700 -0.007 0.000 2.496 458 S HA 0.009 4.481 4.470 0.004 0.000 0.224 458 S C 1.002 175.603 174.600 0.001 0.000 0.996 458 S CA 0.166 58.365 58.200 -0.002 0.000 0.927 458 S CB -1.415 61.785 63.200 -0.001 0.000 0.774 458 S HN 0.021 nan 8.310 nan 0.000 0.524 459 T N 3.441 117.995 114.554 0.001 0.000 2.752 459 T HA 0.369 4.722 4.350 0.004 0.000 0.295 459 T C -0.220 174.490 174.700 0.016 0.000 0.923 459 T CA -0.270 61.834 62.100 0.007 0.000 1.112 459 T CB 0.882 69.753 68.868 0.006 0.000 0.884 459 T HN 0.114 nan 8.240 nan 0.000 0.525 460 V N 5.424 125.352 119.914 0.024 0.000 2.508 460 V HA 0.197 4.320 4.120 0.004 0.000 0.281 460 V C 0.347 176.484 176.094 0.072 0.000 1.041 460 V CA -0.412 61.915 62.300 0.045 0.000 1.016 460 V CB 1.093 32.943 31.823 0.045 0.000 0.984 460 V HN 0.623 nan 8.190 nan 0.000 0.478 461 V N 6.164 126.129 119.914 0.084 0.000 2.417 461 V HA 0.489 4.611 4.120 0.004 0.000 0.291 461 V C -0.118 176.068 176.094 0.152 0.000 1.024 461 V CA -0.514 61.852 62.300 0.110 0.000 0.861 461 V CB 1.779 33.660 31.823 0.096 0.000 0.985 461 V HN 0.586 nan 8.190 nan 0.000 0.436 462 V N 5.238 125.267 119.914 0.191 0.000 2.555 462 V HA 0.519 4.642 4.120 0.004 0.000 0.302 462 V C -0.769 175.469 176.094 0.238 0.000 1.038 462 V CA -0.624 61.825 62.300 0.248 0.000 0.887 462 V CB 1.895 33.949 31.823 0.386 0.000 0.991 462 V HN 0.711 nan 8.190 nan 0.000 0.434 463 F N 3.818 123.822 119.950 0.091 0.000 2.469 463 F HA 0.842 5.372 4.527 0.005 0.000 0.332 463 F C 0.028 175.836 175.800 0.012 0.000 1.103 463 F CA -0.823 57.199 58.000 0.037 0.000 0.979 463 F CB 1.579 40.593 39.000 0.024 0.000 1.137 463 F HN 0.566 nan 8.300 nan 0.000 0.463 464 A N 5.401 127.597 122.820 -1.040 0.000 2.442 464 A HA 0.337 4.660 4.320 0.004 0.000 0.284 464 A C 0.417 177.359 177.584 -1.070 0.000 1.058 464 A CA -0.438 51.042 52.037 -0.927 0.000 0.738 464 A CB 0.947 19.539 19.000 -0.679 0.000 1.242 464 A HN 0.947 nan 8.150 nan 0.000 0.421 465 E N 2.173 121.805 120.200 -0.947 0.000 2.072 465 E HA -0.113 4.239 4.350 0.004 0.000 0.191 465 E C 0.574 177.026 176.600 -0.245 0.000 0.985 465 E CA 1.367 57.487 56.400 -0.467 0.000 0.801 465 E CB 0.029 29.642 29.700 -0.145 0.000 0.750 465 E HN 0.722 nan 8.360 nan 0.000 0.452 466 N N 0.479 119.027 118.700 -0.253 0.000 2.716 466 N HA 0.168 4.911 4.740 0.004 0.000 0.245 466 N C -2.727 172.661 175.510 -0.203 0.000 1.495 466 N CA -1.138 51.816 53.050 -0.161 0.000 0.759 466 N CB 0.905 39.346 38.487 -0.078 0.000 1.261 466 N HN 0.030 nan 8.380 nan 0.000 0.515 467 P HA 0.187 nan 4.420 nan 0.000 0.274 467 P C -0.904 176.342 177.300 -0.091 0.000 1.246 467 P CA 0.034 62.943 63.100 -0.319 0.000 0.795 467 P CB 1.050 32.489 31.700 -0.435 0.000 1.006 468 D N -0.847 119.550 120.400 -0.006 0.000 2.437 468 D HA 0.369 5.012 4.640 0.004 0.000 0.259 468 D C 1.268 177.641 176.300 0.121 0.000 1.118 468 D CA -0.780 53.252 54.000 0.053 0.000 1.017 468 D CB 0.140 40.971 40.800 0.051 0.000 1.120 468 D HN 0.283 nan 8.370 nan 0.000 0.541 469 A N -0.111 122.763 122.820 0.091 0.000 1.917 469 A HA -0.294 4.029 4.320 0.004 0.000 0.219 469 A C 1.964 179.618 177.584 0.118 0.000 1.182 469 A CA 2.158 54.253 52.037 0.096 0.000 0.633 469 A CB -1.096 17.942 19.000 0.062 0.000 0.819 469 A HN 0.818 nan 8.150 nan 0.000 0.448 470 E N -1.456 118.811 120.200 0.112 0.000 2.106 470 E HA -0.202 4.151 4.350 0.004 0.000 0.192 470 E C 1.767 178.441 176.600 0.124 0.000 0.984 470 E CA 1.230 57.688 56.400 0.095 0.000 0.806 470 E CB -0.286 29.460 29.700 0.075 0.000 0.750 470 E HN 0.613 nan 8.360 nan 0.000 0.458 471 F N 0.808 120.786 119.950 0.047 0.000 2.161 471 F HA -0.195 4.334 4.527 0.004 0.000 0.300 471 F C 1.799 177.686 175.800 0.145 0.000 1.089 471 F CA 1.350 59.393 58.000 0.072 0.000 1.282 471 F CB -0.096 38.945 39.000 0.069 0.000 1.010 471 F HN -0.084 nan 8.300 nan 0.000 0.485 472 V N 0.520 120.642 119.914 0.348 0.000 2.346 472 V HA -0.227 3.895 4.120 0.004 0.000 0.244 472 V C 2.311 178.503 176.094 0.164 0.000 1.037 472 V CA 1.977 64.494 62.300 0.361 0.000 1.029 472 V CB -0.756 31.249 31.823 0.304 0.000 0.663 472 V HN 0.206 nan 8.190 nan 0.000 0.454 473 K N 1.316 121.767 120.400 0.086 0.000 2.103 473 K HA -0.126 4.197 4.320 0.004 0.000 0.207 473 K C 1.963 178.527 176.600 -0.060 0.000 1.048 473 K CA 1.846 58.147 56.287 0.023 0.000 0.930 473 K CB -0.273 32.241 32.500 0.024 0.000 0.716 473 K HN 0.632 nan 8.250 nan 0.000 0.444 474 S N -0.733 114.898 115.700 -0.116 0.000 2.572 474 S HA 0.112 4.585 4.470 0.004 0.000 0.228 474 S C 1.585 175.976 174.600 -0.349 0.000 0.963 474 S CA -0.070 58.020 58.200 -0.184 0.000 0.939 474 S CB 0.867 63.984 63.200 -0.139 0.000 0.804 474 S HN 0.305 nan 8.310 nan 0.000 0.480 475 G N 1.471 109.966 108.800 -0.509 0.000 2.623 475 G HA2 0.384 4.347 3.960 0.004 0.000 0.214 475 G HA3 0.384 4.347 3.960 0.004 0.000 0.214 475 G C 1.119 175.358 174.900 -1.101 0.000 1.138 475 G CA -0.002 44.483 45.100 -1.026 0.000 0.794 475 G HN 1.288 nan 8.290 nan 0.000 0.535 476 G N -0.503 107.917 108.800 -0.634 0.000 2.295 476 G HA2 -0.254 3.709 3.960 0.004 0.000 0.287 476 G HA3 -0.254 3.709 3.960 0.004 0.000 0.287 476 G C 0.010 174.661 174.900 -0.415 0.000 1.055 476 G CA -0.067 44.782 45.100 -0.419 0.000 0.922 476 G HN 0.255 nan 8.290 nan 0.000 0.503 477 F N -0.175 119.726 119.950 -0.081 0.000 2.370 477 F HA 0.613 5.143 4.527 0.004 0.000 0.319 477 F C 1.582 177.335 175.800 -0.079 0.000 1.129 477 F CA -0.310 57.637 58.000 -0.087 0.000 1.109 477 F CB 1.543 40.508 39.000 -0.060 0.000 1.262 477 F HN -0.007 nan 8.300 nan 0.000 0.534 478 S N -0.502 115.241 115.700 0.072 0.000 2.497 478 S HA 0.165 4.638 4.470 0.004 0.000 0.221 478 S C -1.087 173.594 174.600 0.135 0.000 1.037 478 S CA 0.223 58.439 58.200 0.026 0.000 0.920 478 S CB 0.049 63.209 63.200 -0.066 0.000 0.800 478 S HN 0.599 nan 8.310 nan 0.000 0.505 479 Y N -1.539 118.844 120.300 0.139 0.000 2.774 479 Y HA 0.749 5.301 4.550 0.004 0.000 0.346 479 Y C -1.309 174.608 175.900 0.027 0.000 1.222 479 Y CA -2.034 56.112 58.100 0.077 0.000 1.088 479 Y CB 0.331 38.826 38.460 0.058 0.000 1.354 479 Y HN -0.050 nan 8.280 nan 0.000 0.455 480 A N 1.145 124.149 122.820 0.308 0.000 2.498 480 A HA 0.868 5.190 4.320 0.004 0.000 0.298 480 A C -1.821 175.847 177.584 0.140 0.000 1.075 480 A CA -0.912 51.206 52.037 0.135 0.000 0.714 480 A CB 1.428 20.417 19.000 -0.019 0.000 1.299 480 A HN 0.752 nan 8.150 nan 0.000 0.407 481 I N 1.792 122.422 120.570 0.101 0.000 2.410 481 I HA 0.410 4.582 4.170 0.004 0.000 0.286 481 I C -1.019 175.129 176.117 0.052 0.000 1.009 481 I CA -0.755 60.583 61.300 0.064 0.000 1.111 481 I CB 1.840 39.891 38.000 0.085 0.000 1.262 481 I HN 0.312 nan 8.210 nan 0.000 0.443 482 V N 5.358 125.289 119.914 0.029 0.000 2.448 482 V HA 0.717 4.839 4.120 0.004 0.000 0.295 482 V C 0.186 176.302 176.094 0.036 0.000 1.025 482 V CA -0.568 61.752 62.300 0.033 0.000 0.859 482 V CB 1.560 33.389 31.823 0.010 0.000 0.988 482 V HN 0.787 nan 8.190 nan 0.000 0.431 483 A N 4.997 127.864 122.820 0.078 0.000 2.331 483 A HA 0.970 5.293 4.320 0.004 0.000 0.320 483 A C -0.481 177.151 177.584 0.079 0.000 1.138 483 A CA -0.466 51.618 52.037 0.079 0.000 0.790 483 A CB 1.588 20.678 19.000 0.151 0.000 1.206 483 A HN 1.559 nan 8.150 nan 0.000 0.470 484 V N -0.648 119.202 119.914 -0.106 0.000 3.202 484 V HA 1.065 5.188 4.120 0.004 0.000 0.306 484 V C 0.084 175.739 176.094 -0.732 0.000 1.283 484 V CA -0.011 62.115 62.300 -0.290 0.000 1.065 484 V CB 1.148 32.922 31.823 -0.082 0.000 1.079 484 V HN 2.455 nan 8.190 nan 0.000 0.448 485 G N 0.165 108.490 108.800 -0.792 0.000 2.350 485 G HA2 0.298 4.261 3.960 0.004 0.000 0.276 485 G HA3 0.298 4.261 3.960 0.004 0.000 0.276 485 G C -1.230 173.586 174.900 -0.140 0.000 1.313 485 G CA -0.373 44.437 45.100 -0.483 0.000 0.903 485 G HN 1.007 nan 8.290 nan 0.000 0.490 486 E N -0.159 120.050 120.200 0.015 0.000 2.392 486 E HA 0.379 4.731 4.350 0.004 0.000 0.256 486 E C -0.233 176.486 176.600 0.198 0.000 1.145 486 E CA -0.169 56.290 56.400 0.099 0.000 0.929 486 E CB 0.607 30.432 29.700 0.208 0.000 0.998 486 E HN 0.496 nan 8.360 nan 0.000 0.442 487 H N 0.284 119.319 119.070 -0.058 0.000 2.508 487 H HA 0.237 4.796 4.556 0.004 0.000 0.344 487 H C -2.049 173.217 175.328 -0.104 0.000 1.192 487 H CA -2.536 53.342 56.048 -0.285 0.000 1.290 487 H CB 0.937 30.552 29.762 -0.244 0.000 1.571 487 H HN 0.258 nan 8.280 nan 0.000 0.555 488 P HA -0.059 nan 4.420 nan 0.000 0.267 488 P C -1.379 175.886 177.300 -0.059 0.000 1.200 488 P CA 0.676 63.701 63.100 -0.126 0.000 0.772 488 P CB 0.227 31.903 31.700 -0.040 0.000 0.855 489 Y N -1.796 118.427 120.300 -0.128 0.000 2.641 489 Y HA 0.743 5.295 4.550 0.005 0.000 0.333 489 Y C -1.362 174.405 175.900 -0.222 0.000 1.174 489 Y CA -1.039 56.949 58.100 -0.187 0.000 1.057 489 Y CB 0.402 38.789 38.460 -0.120 0.000 1.322 489 Y HN 0.220 nan 8.280 nan 0.000 0.457 490 T N 1.952 116.374 114.554 -0.220 0.000 2.956 490 T HA 0.483 4.835 4.350 0.004 0.000 0.312 490 T C -0.757 173.676 174.700 -0.444 0.000 1.151 490 T CA -0.295 61.529 62.100 -0.459 0.000 1.024 490 T CB 2.361 70.510 68.868 -1.199 0.000 1.140 490 T HN 0.939 nan 8.240 nan 0.000 0.473 491 E N 0.437 120.478 120.200 -0.264 0.000 3.374 491 E HA -0.287 4.066 4.350 0.004 0.000 0.319 491 E C 1.208 177.724 176.600 -0.139 0.000 1.492 491 E CA 1.500 57.812 56.400 -0.146 0.000 1.899 491 E CB -1.237 28.505 29.700 0.071 0.000 1.894 491 E HN 0.709 nan 8.360 nan 0.000 0.484 492 T N 1.005 115.527 114.554 -0.054 0.000 2.699 492 T HA -0.186 4.167 4.350 0.004 0.000 0.268 492 T C 1.380 176.016 174.700 -0.106 0.000 1.036 492 T CA 1.702 63.773 62.100 -0.047 0.000 1.147 492 T CB -0.158 68.708 68.868 -0.004 0.000 0.862 492 T HN 0.185 nan 8.240 nan 0.000 0.446 493 K N 0.798 121.107 120.400 -0.153 0.000 2.520 493 K HA -0.001 4.322 4.320 0.004 0.000 0.197 493 K C 2.118 178.605 176.600 -0.188 0.000 1.043 493 K CA 0.822 57.015 56.287 -0.156 0.000 0.944 493 K CB -0.459 31.921 32.500 -0.199 0.000 0.770 493 K HN 0.502 nan 8.250 nan 0.000 0.480 494 G N 0.535 109.193 108.800 -0.236 0.000 2.921 494 G HA2 -0.047 3.915 3.960 0.004 0.000 0.213 494 G HA3 -0.047 3.915 3.960 0.004 0.000 0.213 494 G C 0.027 174.634 174.900 -0.488 0.000 1.143 494 G CA -0.313 44.467 45.100 -0.534 0.000 0.764 494 G HN 0.142 nan 8.290 nan 0.000 0.542 495 D N 1.280 121.538 120.400 -0.237 0.000 2.493 495 D HA 0.110 4.752 4.640 0.004 0.000 0.240 495 D C -0.339 175.862 176.300 -0.166 0.000 1.142 495 D CA 0.662 54.581 54.000 -0.134 0.000 0.872 495 D CB 0.966 41.745 40.800 -0.035 0.000 1.173 495 D HN 0.119 nan 8.370 nan 0.000 0.467 496 N N 2.495 121.113 118.700 -0.137 0.000 2.478 496 N HA 0.138 4.881 4.740 0.004 0.000 0.291 496 N C 0.083 175.542 175.510 -0.085 0.000 1.090 496 N CA -0.428 52.546 53.050 -0.127 0.000 0.911 496 N CB 1.348 39.735 38.487 -0.166 0.000 1.546 496 N HN 0.194 nan 8.380 nan 0.000 0.500 497 L N 2.461 123.639 121.223 -0.074 0.000 2.477 497 L HA 0.097 4.440 4.340 0.004 0.000 0.220 497 L C 1.385 178.207 176.870 -0.080 0.000 1.106 497 L CA 0.526 55.323 54.840 -0.073 0.000 0.851 497 L CB -0.032 41.992 42.059 -0.058 0.000 0.994 497 L HN 0.562 nan 8.230 nan 0.000 0.462 498 N N -0.421 118.240 118.700 -0.065 0.000 2.322 498 N HA -0.008 4.734 4.740 0.004 0.000 0.181 498 N C 0.953 176.450 175.510 -0.023 0.000 1.088 498 N CA -0.232 52.790 53.050 -0.047 0.000 0.885 498 N CB -0.095 38.373 38.487 -0.033 0.000 1.013 498 N HN 0.041 nan 8.380 nan 0.000 0.472 499 L N 1.024 122.233 121.223 -0.022 0.000 3.948 499 L HA -0.219 4.124 4.340 0.004 0.000 0.453 499 L C -0.627 176.301 176.870 0.097 0.000 1.137 499 L CA 0.991 55.858 54.840 0.045 0.000 0.881 499 L CB -2.572 39.550 42.059 0.105 0.000 1.797 499 L HN 0.632 nan 8.230 nan 0.000 0.957 500 T N -1.951 112.630 114.554 0.045 0.000 2.797 500 T HA 0.665 5.017 4.350 0.004 0.000 0.279 500 T C 0.396 175.102 174.700 0.009 0.000 0.991 500 T CA -0.938 61.192 62.100 0.051 0.000 0.979 500 T CB 2.129 71.021 68.868 0.039 0.000 0.943 500 T HN 0.313 nan 8.240 nan 0.000 0.444 501 I N 1.604 122.181 120.570 0.012 0.000 2.948 501 I HA 0.356 4.528 4.170 0.004 0.000 0.290 501 I C -2.027 174.055 176.117 -0.058 0.000 1.226 501 I CA -1.716 59.566 61.300 -0.031 0.000 1.413 501 I CB -0.103 37.881 38.000 -0.028 0.000 1.352 501 I HN 0.434 nan 8.210 nan 0.000 0.597 502 P HA 0.216 nan 4.420 nan 0.000 0.274 502 P C -0.874 176.402 177.300 -0.040 0.000 1.237 502 P CA -0.130 62.890 63.100 -0.132 0.000 0.793 502 P CB 0.863 32.358 31.700 -0.343 0.000 0.977 503 E N 1.133 121.329 120.200 -0.006 0.000 2.227 503 E HA 0.407 4.759 4.350 0.004 0.000 0.268 503 E C -1.758 174.883 176.600 0.068 0.000 0.990 503 E CA -1.675 54.744 56.400 0.032 0.000 0.856 503 E CB 0.274 29.987 29.700 0.021 0.000 1.159 503 E HN 0.471 nan 8.360 nan 0.000 0.401 504 P HA 0.366 nan 4.420 nan 0.000 0.279 504 P C -0.129 177.216 177.300 0.075 0.000 1.239 504 P CA -0.243 62.893 63.100 0.060 0.000 0.789 504 P CB 1.536 33.266 31.700 0.049 0.000 0.933 505 G N 0.928 109.756 108.800 0.047 0.000 3.791 505 G HA2 -0.074 3.888 3.960 0.004 0.000 0.176 505 G HA3 -0.074 3.888 3.960 0.004 0.000 0.176 505 G C 0.688 175.599 174.900 0.018 0.000 1.298 505 G CA 0.223 45.347 45.100 0.040 0.000 0.928 505 G HN 0.486 nan 8.290 nan 0.000 0.546 506 L N 2.586 123.816 121.223 0.012 0.000 2.017 506 L HA 0.021 4.363 4.340 0.004 0.000 0.208 506 L C 2.971 179.847 176.870 0.010 0.000 1.073 506 L CA 3.310 58.155 54.840 0.008 0.000 0.745 506 L CB -0.815 41.250 42.059 0.010 0.000 0.894 506 L HN 0.409 nan 8.230 nan 0.000 0.432 507 S N -2.145 113.563 115.700 0.013 0.000 2.370 507 S HA -0.229 4.244 4.470 0.004 0.000 0.226 507 S C 1.847 176.454 174.600 0.011 0.000 1.033 507 S CA 1.785 59.992 58.200 0.013 0.000 1.011 507 S CB -1.454 61.754 63.200 0.014 0.000 0.852 507 S HN 0.584 nan 8.310 nan 0.000 0.457 508 T N 1.989 116.549 114.554 0.011 0.000 2.777 508 T HA 0.025 4.378 4.350 0.004 0.000 0.266 508 T C 1.914 176.617 174.700 0.005 0.000 1.040 508 T CA 1.271 63.374 62.100 0.004 0.000 1.141 508 T CB -0.564 68.308 68.868 0.007 0.000 0.868 508 T HN 0.288 nan 8.240 nan 0.000 0.444 509 V N 1.679 121.597 119.914 0.005 0.000 2.358 509 V HA -0.197 3.926 4.120 0.004 0.000 0.246 509 V C 2.617 178.715 176.094 0.006 0.000 1.047 509 V CA 1.650 63.951 62.300 0.001 0.000 1.035 509 V CB -0.637 31.181 31.823 -0.007 0.000 0.658 509 V HN 0.524 nan 8.190 nan 0.000 0.452 510 Q N -0.252 119.553 119.800 0.008 0.000 2.119 510 Q HA -0.117 4.225 4.340 0.004 0.000 0.201 510 Q C 2.385 178.397 176.000 0.021 0.000 0.972 510 Q CA 1.625 57.435 55.803 0.012 0.000 0.847 510 Q CB -0.366 28.378 28.738 0.011 0.000 0.903 510 Q HN 0.672 nan 8.270 nan 0.000 0.433 511 A N 0.379 123.213 122.820 0.023 0.000 1.898 511 A HA -0.102 4.221 4.320 0.004 0.000 0.216 511 A C 2.321 179.935 177.584 0.051 0.000 1.181 511 A CA 1.125 53.183 52.037 0.036 0.000 0.620 511 A CB -0.549 18.470 19.000 0.032 0.000 0.819 511 A HN 0.182 nan 8.150 nan 0.000 0.442 512 V N -0.637 119.301 119.914 0.040 0.000 2.244 512 V HA -0.289 3.834 4.120 0.004 0.000 0.244 512 V C 2.601 178.726 176.094 0.051 0.000 1.042 512 V CA 2.031 64.360 62.300 0.048 0.000 1.006 512 V CB -1.158 30.674 31.823 0.016 0.000 0.641 512 V HN 0.681 nan 8.190 nan 0.000 0.446 513 c N 1.205 119.825 118.600 0.033 0.000 2.409 513 c HA -0.040 4.532 4.570 0.004 0.000 0.284 513 c C 2.785 176.897 174.090 0.036 0.000 1.354 513 c CA 0.609 56.956 56.329 0.031 0.000 1.787 513 c CB -1.842 40.675 42.510 0.013 0.000 1.900 513 c HN 0.718 nan 8.230 nan 0.000 0.520 514 G N 0.353 109.177 108.800 0.039 0.000 2.421 514 G HA2 0.130 4.093 3.960 0.004 0.000 0.217 514 G HA3 0.130 4.093 3.960 0.004 0.000 0.217 514 G C 1.702 176.633 174.900 0.050 0.000 1.143 514 G CA 1.014 46.137 45.100 0.038 0.000 0.784 514 G HN 0.567 nan 8.290 nan 0.000 0.541 515 G N -1.231 107.611 108.800 0.070 0.000 2.595 515 G HA2 0.359 4.322 3.960 0.004 0.000 0.213 515 G HA3 0.359 4.322 3.960 0.004 0.000 0.213 515 G C -0.044 174.916 174.900 0.099 0.000 1.141 515 G CA 0.952 46.105 45.100 0.087 0.000 0.806 515 G HN 0.588 nan 8.290 nan 0.000 0.530 516 V N 0.229 120.204 119.914 0.102 0.000 3.167 516 V HA 0.455 4.578 4.120 0.004 0.000 0.293 516 V C -0.878 175.273 176.094 0.095 0.000 1.379 516 V CA -1.473 60.896 62.300 0.114 0.000 1.019 516 V CB 2.035 33.962 31.823 0.174 0.000 1.115 516 V HN 0.581 nan 8.190 nan 0.000 0.442 517 R N 3.567 124.126 120.500 0.097 0.000 2.638 517 R HA 0.407 4.749 4.340 0.004 0.000 0.268 517 R C -0.088 176.264 176.300 0.087 0.000 1.006 517 R CA 0.350 56.496 56.100 0.078 0.000 1.088 517 R CB -0.413 29.934 30.300 0.079 0.000 0.950 517 R HN 0.993 nan 8.270 nan 0.000 0.419 518 c N -0.555 118.070 118.600 0.040 0.000 2.971 518 c HA 0.939 5.512 4.570 0.004 0.000 0.310 518 c C -0.449 173.627 174.090 -0.023 0.000 1.285 518 c CA -0.768 55.577 56.329 0.026 0.000 1.593 518 c CB 1.529 44.050 42.510 0.017 0.000 2.076 518 c HN 1.018 nan 8.230 nan 0.000 0.472 519 A N 1.535 124.333 122.820 -0.037 0.000 2.332 519 A HA 0.717 5.039 4.320 0.004 0.000 0.300 519 A C -0.213 177.335 177.584 -0.059 0.000 1.153 519 A CA -0.020 51.970 52.037 -0.079 0.000 0.764 519 A CB 0.678 19.604 19.000 -0.124 0.000 1.174 519 A HN 0.960 nan 8.150 nan 0.000 0.467 520 T N 2.231 116.741 114.554 -0.072 0.000 2.744 520 T HA 0.435 4.788 4.350 0.004 0.000 0.291 520 T C -0.186 174.467 174.700 -0.079 0.000 0.957 520 T CA -0.032 62.029 62.100 -0.064 0.000 1.002 520 T CB 0.809 69.635 68.868 -0.071 0.000 0.919 520 T HN 0.396 nan 8.240 nan 0.000 0.468 521 V N 5.505 125.387 119.914 -0.053 0.000 2.333 521 V HA 0.339 4.462 4.120 0.004 0.000 0.274 521 V C -0.173 175.872 176.094 -0.081 0.000 1.028 521 V CA -0.792 61.475 62.300 -0.055 0.000 0.851 521 V CB 1.142 32.960 31.823 -0.008 0.000 1.000 521 V HN 0.625 nan 8.190 nan 0.000 0.456 522 L N 7.498 128.648 121.223 -0.121 0.000 2.255 522 L HA 0.511 4.853 4.340 0.004 0.000 0.289 522 L C -0.317 176.469 176.870 -0.140 0.000 1.046 522 L CA 0.227 54.985 54.840 -0.136 0.000 0.816 522 L CB 0.624 42.611 42.059 -0.119 0.000 1.197 522 L HN 0.378 nan 8.230 nan 0.000 0.427 523 I N 5.043 125.527 120.570 -0.143 0.000 2.315 523 I HA 0.516 4.689 4.170 0.004 0.000 0.291 523 I C 0.193 176.289 176.117 -0.034 0.000 1.006 523 I CA 0.067 61.337 61.300 -0.049 0.000 1.265 523 I CB 0.597 38.645 38.000 0.080 0.000 1.387 523 I HN 0.815 nan 8.210 nan 0.000 0.475 524 S N 3.021 118.743 115.700 0.038 0.000 2.595 524 S HA 0.530 5.003 4.470 0.004 0.000 0.270 524 S C 0.049 174.767 174.600 0.197 0.000 1.145 524 S CA -0.393 57.863 58.200 0.094 0.000 0.825 524 S CB 1.325 64.570 63.200 0.076 0.000 1.107 524 S HN 0.685 nan 8.310 nan 0.000 0.461 525 G N 0.390 109.313 108.800 0.204 0.000 3.337 525 G HA2 0.530 4.492 3.960 0.004 0.000 0.246 525 G HA3 0.530 4.492 3.960 0.004 0.000 0.246 525 G C 0.247 175.365 174.900 0.363 0.000 1.131 525 G CA -0.208 45.047 45.100 0.257 0.000 0.773 525 G HN 1.038 nan 8.290 nan 0.000 0.544 526 R N -2.353 118.354 120.500 0.345 0.000 2.829 526 R HA 0.292 4.635 4.340 0.004 0.000 0.284 526 R C -3.623 172.662 176.300 -0.025 0.000 1.006 526 R CA -1.470 54.772 56.100 0.236 0.000 0.844 526 R CB -0.178 30.233 30.300 0.186 0.000 1.309 526 R HN -0.200 nan 8.270 nan 0.000 0.494 527 P HA 0.144 nan 4.420 nan 0.000 0.271 527 P C -0.692 176.235 177.300 -0.620 0.000 1.216 527 P CA -0.373 61.910 63.100 -1.363 0.000 0.771 527 P CB 1.016 31.730 31.700 -1.643 0.000 0.864 528 V N 0.371 120.041 119.914 -0.406 0.000 3.130 528 V HA 0.436 4.559 4.120 0.004 0.000 0.310 528 V C -0.164 176.080 176.094 0.251 0.000 1.158 528 V CA -1.269 61.097 62.300 0.110 0.000 1.029 528 V CB 1.664 33.565 31.823 0.131 0.000 1.057 528 V HN 0.128 nan 8.190 nan 0.000 0.436 529 V N 1.793 121.920 119.914 0.355 0.000 2.539 529 V HA 0.008 4.131 4.120 0.004 0.000 0.294 529 V C 1.072 177.314 176.094 0.247 0.000 0.994 529 V CA 1.294 63.792 62.300 0.329 0.000 1.169 529 V CB 0.732 32.697 31.823 0.237 0.000 0.898 529 V HN 0.877 nan 8.190 nan 0.000 0.471 530 V N 4.333 124.400 119.914 0.254 0.000 3.432 530 V HA 0.076 4.199 4.120 0.004 0.000 0.298 530 V C 1.653 177.761 176.094 0.024 0.000 1.464 530 V CA 0.543 62.920 62.300 0.129 0.000 1.046 530 V CB 0.970 32.833 31.823 0.067 0.000 0.887 530 V HN 0.948 nan 8.190 nan 0.000 0.441 531 Q N 1.043 120.866 119.800 0.038 0.000 2.084 531 Q HA -0.105 4.238 4.340 0.004 0.000 0.202 531 Q C -0.441 175.555 176.000 -0.007 0.000 0.978 531 Q CA 2.564 58.364 55.803 -0.005 0.000 0.844 531 Q CB -1.120 27.617 28.738 -0.002 0.000 0.898 531 Q HN 0.521 nan 8.270 nan 0.000 0.426 532 P HA -0.149 nan 4.420 nan 0.000 0.216 532 P C 0.871 178.166 177.300 -0.007 0.000 1.153 532 P CA 1.031 64.133 63.100 0.004 0.000 0.848 532 P CB 0.048 31.758 31.700 0.016 0.000 0.787 533 L N -1.829 119.388 121.223 -0.009 0.000 2.083 533 L HA -0.177 4.165 4.340 0.004 0.000 0.209 533 L C 2.187 179.028 176.870 -0.048 0.000 1.083 533 L CA 1.091 55.914 54.840 -0.027 0.000 0.752 533 L CB -0.799 41.241 42.059 -0.032 0.000 0.899 533 L HN -0.024 nan 8.230 nan 0.000 0.433 534 L N -0.435 120.755 121.223 -0.056 0.000 2.056 534 L HA -0.129 4.213 4.340 0.004 0.000 0.207 534 L C 2.750 179.593 176.870 -0.045 0.000 1.078 534 L CA 1.879 56.681 54.840 -0.064 0.000 0.749 534 L CB -1.066 40.958 42.059 -0.058 0.000 0.901 534 L HN 0.160 nan 8.230 nan 0.000 0.433 535 A N -0.603 122.197 122.820 -0.034 0.000 1.892 535 A HA -0.242 4.080 4.320 0.004 0.000 0.218 535 A C 2.422 179.993 177.584 -0.021 0.000 1.188 535 A CA 2.204 54.226 52.037 -0.026 0.000 0.631 535 A CB -0.952 18.037 19.000 -0.019 0.000 0.822 535 A HN 0.413 nan 8.150 nan 0.000 0.447 536 A N -0.978 121.831 122.820 -0.020 0.000 2.021 536 A HA 0.294 4.617 4.320 0.004 0.000 0.216 536 A C 1.411 178.985 177.584 -0.018 0.000 1.163 536 A CA 0.875 52.904 52.037 -0.014 0.000 0.676 536 A CB -0.318 18.677 19.000 -0.008 0.000 0.818 536 A HN 0.396 nan 8.150 nan 0.000 0.453 537 S N 0.619 116.300 115.700 -0.032 0.000 2.586 537 S HA 0.218 4.691 4.470 0.004 0.000 0.274 537 S C 0.172 174.746 174.600 -0.043 0.000 1.281 537 S CA -0.542 57.634 58.200 -0.040 0.000 1.035 537 S CB 1.194 64.358 63.200 -0.061 0.000 0.962 537 S HN 0.410 nan 8.310 nan 0.000 0.512 538 D N 1.062 121.437 120.400 -0.041 0.000 2.137 538 D HA 0.137 4.779 4.640 0.004 0.000 0.202 538 D C 0.533 176.791 176.300 -0.071 0.000 0.970 538 D CA 0.820 54.794 54.000 -0.043 0.000 0.837 538 D CB 0.250 41.032 40.800 -0.031 0.000 0.981 538 D HN 0.575 nan 8.370 nan 0.000 0.475 539 A N 0.368 123.132 122.820 -0.093 0.000 2.475 539 A HA 0.664 4.987 4.320 0.004 0.000 0.301 539 A C -1.425 176.070 177.584 -0.149 0.000 1.059 539 A CA -0.546 51.408 52.037 -0.137 0.000 0.710 539 A CB 1.939 20.841 19.000 -0.163 0.000 1.288 539 A HN 0.157 nan 8.150 nan 0.000 0.408 540 L N 2.086 123.193 121.223 -0.193 0.000 2.455 540 L HA 0.806 5.148 4.340 0.004 0.000 0.264 540 L C -1.756 174.959 176.870 -0.260 0.000 0.968 540 L CA -0.657 54.062 54.840 -0.202 0.000 0.827 540 L CB 2.134 44.069 42.059 -0.205 0.000 1.317 540 L HN 0.512 nan 8.230 nan 0.000 0.407 541 V N 3.629 123.413 119.914 -0.217 0.000 2.540 541 V HA 0.688 4.811 4.120 0.004 0.000 0.302 541 V C 0.152 176.109 176.094 -0.229 0.000 1.035 541 V CA -0.496 61.682 62.300 -0.204 0.000 0.873 541 V CB 1.713 33.503 31.823 -0.055 0.000 0.992 541 V HN 0.856 nan 8.190 nan 0.000 0.428 542 A N 3.262 125.894 122.820 -0.314 0.000 2.316 542 A HA 0.706 5.029 4.320 0.004 0.000 0.311 542 A C 0.916 178.121 177.584 -0.632 0.000 1.339 542 A CA 0.238 51.964 52.037 -0.519 0.000 0.960 542 A CB 0.679 19.289 19.000 -0.651 0.000 1.152 542 A HN 1.298 nan 8.150 nan 0.000 0.547 543 A N 2.503 125.057 122.820 -0.443 0.000 2.308 543 A HA 0.458 4.780 4.320 0.004 0.000 0.217 543 A C 0.670 178.199 177.584 -0.092 0.000 1.216 543 A CA 0.278 52.188 52.037 -0.212 0.000 0.864 543 A CB -0.807 18.170 19.000 -0.040 0.000 0.902 543 A HN 1.174 nan 8.150 nan 0.000 0.499 544 W N -1.843 119.519 121.300 0.103 0.000 1.922 544 W HA -0.297 4.365 4.660 0.004 0.000 0.275 544 W C 0.133 176.690 176.519 0.064 0.000 1.129 544 W CA 0.524 57.921 57.345 0.087 0.000 1.077 544 W CB -1.296 28.225 29.460 0.102 0.000 0.883 544 W HN 0.076 nan 8.180 nan 0.000 0.546 545 L N 2.721 124.159 121.223 0.358 0.000 2.445 545 L HA 0.215 4.558 4.340 0.004 0.000 0.252 545 L C -1.214 175.779 176.870 0.204 0.000 1.105 545 L CA -1.650 53.313 54.840 0.205 0.000 0.943 545 L CB 0.787 42.935 42.059 0.148 0.000 1.277 545 L HN 0.033 nan 8.230 nan 0.000 0.465 546 P HA -0.159 nan 4.420 nan 0.000 0.217 546 P C 0.840 178.182 177.300 0.070 0.000 1.148 546 P CA 1.584 64.763 63.100 0.131 0.000 0.834 546 P CB 0.611 32.371 31.700 0.100 0.000 0.783 547 G N -0.551 108.277 108.800 0.047 0.000 2.500 547 G HA2 -0.181 3.782 3.960 0.004 0.000 0.209 547 G HA3 -0.181 3.782 3.960 0.004 0.000 0.209 547 G C 0.820 175.679 174.900 -0.068 0.000 1.283 547 G CA 0.296 45.379 45.100 -0.029 0.000 0.960 547 G HN 0.256 nan 8.290 nan 0.000 0.528 548 S N -0.569 115.043 115.700 -0.145 0.000 2.453 548 S HA 0.104 4.577 4.470 0.004 0.000 0.231 548 S C 0.708 175.234 174.600 -0.123 0.000 1.005 548 S CA 1.746 59.860 58.200 -0.142 0.000 0.949 548 S CB 0.120 63.201 63.200 -0.199 0.000 0.774 548 S HN 0.599 nan 8.310 nan 0.000 0.510 549 E N 2.085 122.208 120.200 -0.128 0.000 1.964 549 E HA 0.331 4.683 4.350 0.004 0.000 0.264 549 E C 1.153 177.723 176.600 -0.051 0.000 1.120 549 E CA -0.083 56.257 56.400 -0.100 0.000 1.061 549 E CB 0.070 29.693 29.700 -0.127 0.000 1.190 549 E HN 0.486 nan 8.360 nan 0.000 0.459 550 G N 1.893 110.673 108.800 -0.032 0.000 2.462 550 G HA2 -0.316 3.646 3.960 0.004 0.000 0.220 550 G HA3 -0.316 3.646 3.960 0.004 0.000 0.220 550 G C 1.246 176.154 174.900 0.014 0.000 1.121 550 G CA 0.336 45.436 45.100 -0.001 0.000 0.758 550 G HN 0.388 nan 8.290 nan 0.000 0.559 551 Q N 0.114 119.918 119.800 0.006 0.000 2.368 551 Q HA -0.046 4.297 4.340 0.004 0.000 0.210 551 Q C 2.699 178.713 176.000 0.024 0.000 0.982 551 Q CA 0.712 56.532 55.803 0.029 0.000 0.884 551 Q CB -0.277 28.471 28.738 0.017 0.000 0.933 551 Q HN 0.477 nan 8.270 nan 0.000 0.460 552 G N 0.332 109.128 108.800 -0.007 0.000 2.432 552 G HA2 -0.193 3.770 3.960 0.004 0.000 0.219 552 G HA3 -0.193 3.770 3.960 0.004 0.000 0.219 552 G C 1.470 176.354 174.900 -0.026 0.000 1.135 552 G CA 0.621 45.701 45.100 -0.032 0.000 0.767 552 G HN 0.211 nan 8.290 nan 0.000 0.550 553 V N 1.619 121.536 119.914 0.005 0.000 2.323 553 V HA -0.154 3.969 4.120 0.004 0.000 0.244 553 V C 3.282 179.380 176.094 0.007 0.000 1.041 553 V CA 2.377 64.681 62.300 0.008 0.000 1.025 553 V CB -0.892 30.952 31.823 0.035 0.000 0.656 553 V HN 0.610 nan 8.190 nan 0.000 0.451 554 T N -2.794 111.805 114.554 0.076 0.000 2.995 554 T HA -0.157 4.196 4.350 0.004 0.000 0.269 554 T C 1.472 176.297 174.700 0.209 0.000 1.091 554 T CA 1.142 63.348 62.100 0.177 0.000 1.128 554 T CB -0.390 68.706 68.868 0.380 0.000 0.891 554 T HN 0.349 nan 8.240 nan 0.000 0.492 555 D N 1.741 122.218 120.400 0.129 0.000 2.218 555 D HA 0.056 4.699 4.640 0.004 0.000 0.204 555 D C 2.156 178.521 176.300 0.109 0.000 0.976 555 D CA 1.239 55.346 54.000 0.177 0.000 0.853 555 D CB -0.191 40.702 40.800 0.155 0.000 0.939 555 D HN 0.620 nan 8.370 nan 0.000 0.481 556 A N -0.099 122.661 122.820 -0.100 0.000 1.942 556 A HA 0.103 4.426 4.320 0.004 0.000 0.209 556 A C 2.272 179.697 177.584 -0.264 0.000 1.214 556 A CA -0.008 51.776 52.037 -0.422 0.000 0.686 556 A CB -0.430 17.965 19.000 -1.008 0.000 0.871 556 A HN 0.122 nan 8.150 nan 0.000 0.460 557 L N -1.522 119.615 121.223 -0.144 0.000 2.079 557 L HA -0.130 4.213 4.340 0.004 0.000 0.210 557 L C 1.500 178.167 176.870 -0.338 0.000 1.081 557 L CA 1.163 55.889 54.840 -0.189 0.000 0.752 557 L CB -0.425 41.383 42.059 -0.417 0.000 0.896 557 L HN 0.373 nan 8.230 nan 0.000 0.433 558 F N -0.364 119.597 119.950 0.019 0.000 2.660 558 F HA 0.282 4.811 4.527 0.004 0.000 0.302 558 F C 1.684 177.486 175.800 0.003 0.000 1.103 558 F CA 0.353 58.358 58.000 0.009 0.000 1.340 558 F CB -0.147 38.866 39.000 0.021 0.000 1.048 558 F HN 0.125 nan 8.300 nan 0.000 0.551 559 G N -0.014 108.856 108.800 0.116 0.000 2.162 559 G HA2 -0.331 3.632 3.960 0.004 0.000 0.260 559 G HA3 -0.331 3.632 3.960 0.004 0.000 0.260 559 G C 1.075 175.975 174.900 -0.000 0.000 0.976 559 G CA 0.620 45.758 45.100 0.064 0.000 0.655 559 G HN 0.313 nan 8.290 nan 0.000 0.533 560 D N -0.674 119.735 120.400 0.015 0.000 2.218 560 D HA 0.088 4.731 4.640 0.004 0.000 0.204 560 D C 0.704 176.669 176.300 -0.558 0.000 0.976 560 D CA 1.143 55.033 54.000 -0.183 0.000 0.853 560 D CB 0.018 40.812 40.800 -0.010 0.000 0.939 560 D HN 0.475 nan 8.370 nan 0.000 0.481 561 F N -1.192 118.732 119.950 -0.043 0.000 2.631 561 F HA 0.480 5.009 4.527 0.004 0.000 0.308 561 F C 0.772 176.517 175.800 -0.092 0.000 1.097 561 F CA -1.279 56.685 58.000 -0.060 0.000 0.952 561 F CB 1.664 40.617 39.000 -0.079 0.000 1.307 561 F HN -0.315 nan 8.300 nan 0.000 0.450 562 G N 0.553 109.434 108.800 0.136 0.000 2.448 562 G HA2 0.483 4.446 3.960 0.004 0.000 0.285 562 G HA3 0.483 4.446 3.960 0.004 0.000 0.285 562 G C -1.165 173.782 174.900 0.078 0.000 1.176 562 G CA -0.384 44.781 45.100 0.108 0.000 0.852 562 G HN 0.342 nan 8.290 nan 0.000 0.530 563 F N 0.335 120.312 119.950 0.046 0.000 2.529 563 F HA 0.302 4.832 4.527 0.005 0.000 0.365 563 F C 1.785 177.600 175.800 0.026 0.000 1.102 563 F CA 0.779 58.796 58.000 0.029 0.000 1.271 563 F CB 1.594 40.590 39.000 -0.007 0.000 1.120 563 F HN 0.521 nan 8.300 nan 0.000 0.579 564 T N -1.420 113.247 114.554 0.188 0.000 3.046 564 T HA 0.261 4.614 4.350 0.004 0.000 0.270 564 T C 0.760 175.532 174.700 0.119 0.000 0.920 564 T CA 0.076 62.250 62.100 0.123 0.000 0.874 564 T CB -0.382 68.537 68.868 0.085 0.000 1.214 564 T HN 0.696 nan 8.240 nan 0.000 0.536 565 G N 1.456 110.353 108.800 0.163 0.000 2.432 565 G HA2 0.515 4.478 3.960 0.004 0.000 0.239 565 G HA3 0.515 4.478 3.960 0.004 0.000 0.239 565 G C -0.605 174.394 174.900 0.165 0.000 1.291 565 G CA -0.570 44.638 45.100 0.180 0.000 0.863 565 G HN 0.427 nan 8.290 nan 0.000 0.560 566 R N 1.304 121.903 120.500 0.165 0.000 2.561 566 R HA 0.244 4.587 4.340 0.004 0.000 0.297 566 R C -0.057 176.381 176.300 0.230 0.000 0.969 566 R CA -0.917 55.279 56.100 0.159 0.000 0.879 566 R CB 1.977 32.341 30.300 0.107 0.000 1.178 566 R HN 0.445 nan 8.270 nan 0.000 0.445 567 L N 5.357 126.765 121.223 0.308 0.000 2.737 567 L HA -0.061 4.281 4.340 0.004 0.000 0.279 567 L C -1.219 175.795 176.870 0.240 0.000 1.200 567 L CA -0.291 54.781 54.840 0.386 0.000 0.952 567 L CB 0.314 42.646 42.059 0.455 0.000 1.240 567 L HN 0.452 nan 8.230 nan 0.000 0.486 568 P HA 0.067 nan 4.420 nan 0.000 0.255 568 P C 0.023 177.360 177.300 0.062 0.000 1.248 568 P CA 0.518 63.641 63.100 0.038 0.000 0.807 568 P CB 0.614 32.253 31.700 -0.102 0.000 1.150 569 R N -1.783 118.797 120.500 0.132 0.000 2.831 569 R HA 0.510 4.852 4.340 0.004 0.000 0.266 569 R C -0.491 175.959 176.300 0.250 0.000 1.051 569 R CA -0.637 55.556 56.100 0.155 0.000 0.943 569 R CB 0.830 31.192 30.300 0.104 0.000 1.228 569 R HN -0.275 nan 8.270 nan 0.000 0.467 570 T N 0.920 115.628 114.554 0.257 0.000 2.856 570 T HA 0.183 4.536 4.350 0.004 0.000 0.292 570 T C -1.024 173.838 174.700 0.269 0.000 0.980 570 T CA -0.168 62.131 62.100 0.332 0.000 1.091 570 T CB 0.653 69.767 68.868 0.411 0.000 0.936 570 T HN 0.217 nan 8.240 nan 0.000 0.503 571 W N 6.652 128.028 121.300 0.127 0.000 2.314 571 W HA 0.391 5.054 4.660 0.004 0.000 0.310 571 W C -0.938 175.510 176.519 -0.118 0.000 1.075 571 W CA -2.135 55.180 57.345 -0.050 0.000 1.253 571 W CB 0.283 29.790 29.460 0.077 0.000 1.238 571 W HN 0.624 nan 8.180 nan 0.000 0.440 572 F N 3.328 123.417 119.950 0.232 0.000 2.403 572 F HA 0.395 4.925 4.527 0.004 0.000 0.320 572 F C 1.134 177.046 175.800 0.187 0.000 1.176 572 F CA -0.678 57.408 58.000 0.142 0.000 1.206 572 F CB 0.488 39.524 39.000 0.060 0.000 1.235 572 F HN 0.251 nan 8.300 nan 0.000 0.565 573 K N 0.031 120.636 120.400 0.341 0.000 2.211 573 K HA 0.154 4.477 4.320 0.004 0.000 0.201 573 K C -0.193 176.593 176.600 0.310 0.000 1.052 573 K CA 1.010 57.424 56.287 0.212 0.000 0.973 573 K CB 0.048 32.587 32.500 0.064 0.000 0.766 573 K HN 0.805 nan 8.250 nan 0.000 0.466 574 S N -0.975 114.927 115.700 0.337 0.000 2.547 574 S HA 0.143 4.616 4.470 0.004 0.000 0.270 574 S C 0.750 175.301 174.600 -0.081 0.000 1.150 574 S CA -0.741 57.566 58.200 0.177 0.000 0.850 574 S CB 1.531 64.777 63.200 0.078 0.000 1.118 574 S HN -0.079 nan 8.310 nan 0.000 0.461 575 V N -1.158 118.604 119.914 -0.252 0.000 2.594 575 V HA -0.095 4.027 4.120 0.004 0.000 0.253 575 V C 1.528 177.489 176.094 -0.222 0.000 1.069 575 V CA 2.051 64.091 62.300 -0.435 0.000 1.082 575 V CB -1.572 30.059 31.823 -0.321 0.000 0.680 575 V HN 0.950 nan 8.190 nan 0.000 0.469 576 D N -0.167 120.170 120.400 -0.105 0.000 2.371 576 D HA -0.137 4.506 4.640 0.004 0.000 0.221 576 D C 1.952 178.247 176.300 -0.008 0.000 0.986 576 D CA 0.831 54.802 54.000 -0.049 0.000 0.899 576 D CB -0.476 40.311 40.800 -0.022 0.000 0.902 576 D HN 0.565 nan 8.370 nan 0.000 0.530 577 Q N -0.066 119.732 119.800 -0.003 0.000 2.245 577 Q HA 0.110 4.453 4.340 0.004 0.000 0.201 577 Q C 0.542 176.614 176.000 0.120 0.000 0.955 577 Q CA 0.215 56.065 55.803 0.079 0.000 0.870 577 Q CB 0.218 28.994 28.738 0.063 0.000 0.945 577 Q HN 0.392 nan 8.270 nan 0.000 0.461 578 L N 3.183 124.411 121.223 0.008 0.000 2.461 578 L HA 0.149 4.492 4.340 0.004 0.000 0.272 578 L C -1.812 175.080 176.870 0.036 0.000 1.197 578 L CA -1.653 53.197 54.840 0.017 0.000 0.836 578 L CB -0.302 41.696 42.059 -0.102 0.000 1.105 578 L HN 0.024 nan 8.230 nan 0.000 0.477 579 P HA 0.165 nan 4.420 nan 0.000 0.274 579 P C -0.938 176.484 177.300 0.204 0.000 1.237 579 P CA -0.419 62.741 63.100 0.100 0.000 0.793 579 P CB 1.419 33.165 31.700 0.078 0.000 0.977 580 M N 2.049 121.773 119.600 0.208 0.000 2.356 580 M HA 0.247 4.730 4.480 0.004 0.000 0.215 580 M C -2.028 174.430 176.300 0.263 0.000 0.978 580 M CA -0.291 55.159 55.300 0.250 0.000 0.972 580 M CB 0.748 33.425 32.600 0.128 0.000 2.529 580 M HN 0.234 nan 8.290 nan 0.000 0.447 581 N N 1.368 120.192 118.700 0.207 0.000 2.402 581 N HA 0.597 5.340 4.740 0.004 0.000 0.294 581 N C -1.000 174.381 175.510 -0.214 0.000 1.203 581 N CA -0.639 52.471 53.050 0.101 0.000 0.838 581 N CB 2.178 40.697 38.487 0.054 0.000 1.306 581 N HN 0.330 nan 8.380 nan 0.000 0.510 582 V N 1.105 120.789 119.914 -0.384 0.000 2.509 582 V HA 0.255 4.377 4.120 0.004 0.000 0.297 582 V C 1.403 177.223 176.094 -0.456 0.000 1.014 582 V CA 1.634 63.464 62.300 -0.784 0.000 1.127 582 V CB -0.213 31.407 31.823 -0.339 0.000 0.925 582 V HN 1.045 nan 8.190 nan 0.000 0.480 583 G N 3.857 112.365 108.800 -0.486 0.000 2.218 583 G HA2 -0.165 3.797 3.960 0.004 0.000 0.216 583 G HA3 -0.165 3.797 3.960 0.004 0.000 0.216 583 G C -0.120 174.724 174.900 -0.094 0.000 0.994 583 G CA -0.089 44.893 45.100 -0.197 0.000 0.637 583 G HN 0.671 nan 8.290 nan 0.000 0.505 584 D N 0.180 120.531 120.400 -0.080 0.000 2.362 584 D HA 0.629 5.271 4.640 0.004 0.000 0.242 584 D C 1.540 177.943 176.300 0.171 0.000 1.132 584 D CA 0.652 54.719 54.000 0.113 0.000 0.907 584 D CB 1.151 42.113 40.800 0.270 0.000 1.195 584 D HN 0.368 nan 8.370 nan 0.000 0.429 585 A N 1.742 124.680 122.820 0.197 0.000 1.930 585 A HA -0.160 4.163 4.320 0.004 0.000 0.217 585 A C 1.305 179.033 177.584 0.239 0.000 1.175 585 A CA 1.386 53.525 52.037 0.170 0.000 0.627 585 A CB -0.892 18.175 19.000 0.112 0.000 0.815 585 A HN 0.825 nan 8.150 nan 0.000 0.443 586 H N -4.181 114.951 119.070 0.103 0.000 2.645 586 H HA 0.298 4.857 4.556 0.004 0.000 0.300 586 H C -0.081 175.337 175.328 0.150 0.000 1.065 586 H CA -0.706 55.401 56.048 0.099 0.000 1.173 586 H CB -0.600 29.204 29.762 0.070 0.000 1.383 586 H HN 0.339 nan 8.280 nan 0.000 0.566 587 Y N 2.490 122.729 120.300 -0.101 0.000 2.733 587 Y HA 0.001 4.553 4.550 0.004 0.000 0.359 587 Y C -0.300 175.538 175.900 -0.104 0.000 1.242 587 Y CA -0.623 57.385 58.100 -0.154 0.000 1.715 587 Y CB -0.284 38.153 38.460 -0.037 0.000 1.365 587 Y HN 0.495 nan 8.280 nan 0.000 0.488 588 D N 8.068 128.232 120.400 -0.393 0.000 2.502 588 D HA 0.259 4.902 4.640 0.004 0.000 0.301 588 D C -2.954 173.123 176.300 -0.372 0.000 1.202 588 D CA -2.137 51.670 54.000 -0.322 0.000 0.878 588 D CB 0.669 41.373 40.800 -0.160 0.000 1.062 588 D HN 0.219 nan 8.370 nan 0.000 0.499 589 P HA 0.059 nan 4.420 nan 0.000 0.276 589 P C 0.684 177.820 177.300 -0.273 0.000 1.244 589 P CA -0.652 62.217 63.100 -0.386 0.000 0.801 589 P CB 1.843 33.220 31.700 -0.538 0.000 1.006 590 L N 1.177 122.283 121.223 -0.195 0.000 2.127 590 L HA 0.279 4.622 4.340 0.004 0.000 0.203 590 L C 0.157 176.560 176.870 -0.779 0.000 1.080 590 L CA 1.636 56.226 54.840 -0.417 0.000 0.768 590 L CB -0.449 41.434 42.059 -0.293 0.000 0.924 590 L HN 0.205 nan 8.230 nan 0.000 0.444 591 F N 0.640 120.485 119.950 -0.175 0.000 2.579 591 F HA 0.420 4.950 4.527 0.004 0.000 0.325 591 F C 0.103 175.899 175.800 -0.007 0.000 1.162 591 F CA -1.039 56.802 58.000 -0.264 0.000 0.946 591 F CB 0.908 39.706 39.000 -0.337 0.000 1.211 591 F HN -0.044 nan 8.300 nan 0.000 0.447 592 R N 2.879 123.487 120.500 0.180 0.000 2.679 592 R HA 0.483 4.825 4.340 0.004 0.000 0.269 592 R C -0.348 176.184 176.300 0.387 0.000 1.076 592 R CA -0.752 55.527 56.100 0.298 0.000 1.160 592 R CB 0.897 31.376 30.300 0.299 0.000 1.054 592 R HN 0.784 nan 8.270 nan 0.000 0.507 593 L N 1.611 123.069 121.223 0.391 0.000 2.514 593 L HA 0.159 4.501 4.340 0.004 0.000 0.280 593 L C 1.042 178.072 176.870 0.267 0.000 1.223 593 L CA 1.719 56.741 54.840 0.304 0.000 0.864 593 L CB 0.459 42.651 42.059 0.221 0.000 1.118 593 L HN 1.095 nan 8.230 nan 0.000 0.494 594 G N 2.285 111.231 108.800 0.242 0.000 2.213 594 G HA2 -0.359 3.604 3.960 0.004 0.000 0.236 594 G HA3 -0.359 3.604 3.960 0.004 0.000 0.236 594 G C -0.071 174.953 174.900 0.208 0.000 0.991 594 G CA 0.213 45.428 45.100 0.191 0.000 0.629 594 G HN 0.762 nan 8.290 nan 0.000 0.517 595 Y N 1.640 122.038 120.300 0.164 0.000 2.411 595 Y HA 0.437 4.990 4.550 0.004 0.000 0.333 595 Y C 0.637 176.591 175.900 0.091 0.000 1.186 595 Y CA 1.051 59.236 58.100 0.142 0.000 1.381 595 Y CB 1.193 39.780 38.460 0.212 0.000 1.273 595 Y HN 0.876 nan 8.280 nan 0.000 0.546 596 G N 6.710 115.088 108.800 -0.704 0.000 2.139 596 G HA2 0.271 4.233 3.960 0.004 0.000 0.315 596 G HA3 0.271 4.233 3.960 0.004 0.000 0.315 596 G C -1.832 172.782 174.900 -0.477 0.000 1.599 596 G CA -0.975 43.861 45.100 -0.441 0.000 0.960 596 G HN 0.791 nan 8.290 nan 0.000 0.615 597 L N 1.533 122.490 121.223 -0.444 0.000 2.464 597 L HA 0.658 5.001 4.340 0.004 0.000 0.264 597 L C 1.330 178.106 176.870 -0.157 0.000 1.199 597 L CA -0.232 54.436 54.840 -0.286 0.000 0.818 597 L CB 1.247 43.164 42.059 -0.237 0.000 1.102 597 L HN 0.732 nan 8.230 nan 0.000 0.473 598 T N -1.924 112.577 114.554 -0.087 0.000 2.907 598 T HA 0.817 5.169 4.350 0.004 0.000 0.290 598 T C -0.397 174.327 174.700 0.039 0.000 1.066 598 T CA -0.513 61.596 62.100 0.016 0.000 1.012 598 T CB 2.177 71.060 68.868 0.026 0.000 1.184 598 T HN 0.766 nan 8.240 nan 0.000 0.522 599 T N -0.983 113.648 114.554 0.129 0.000 2.821 599 T HA 0.639 4.991 4.350 0.004 0.000 0.306 599 T C -1.325 173.445 174.700 0.116 0.000 1.313 599 T CA -1.049 61.127 62.100 0.126 0.000 1.012 599 T CB 1.147 70.148 68.868 0.221 0.000 1.298 599 T HN 0.751 nan 8.240 nan 0.000 0.502 600 N N -0.228 118.519 118.700 0.078 0.000 2.319 600 N HA 0.682 5.424 4.740 0.004 0.000 0.305 600 N C -0.412 175.121 175.510 0.038 0.000 1.103 600 N CA -0.878 52.204 53.050 0.054 0.000 0.815 600 N CB 1.716 40.222 38.487 0.033 0.000 1.288 600 N HN 1.047 nan 8.380 nan 0.000 0.493 601 A N 0.562 123.387 122.820 0.009 0.000 2.498 601 A HA 0.297 4.620 4.320 0.004 0.000 0.239 601 A C 0.721 178.286 177.584 -0.032 0.000 1.068 601 A CA -0.113 51.901 52.037 -0.038 0.000 0.766 601 A CB -0.335 18.589 19.000 -0.125 0.000 1.003 601 A HN 0.686 nan 8.150 nan 0.000 0.497 602 T N 0.000 114.537 114.554 -0.028 0.000 3.816 602 T HA 0.000 4.353 4.350 0.004 0.000 0.228 602 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 602 T CB 0.000 68.874 68.868 0.009 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658