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 1ieq_1_A DATA FIRST_RESID 1 DATA SEQUENCE DYVLYKDATK PVEDRVADLL GRMTLAEKIG QMTQIERLVA TPDVLRDNFI DATA SEQUENCE GSLLSGGGSV PRKGATAKEW QDMVDGFQKA CMSTRLGIPM IYGIDAVHGQ DATA SEQUENCE NNVYGATIFP HNVGLGATRD PYLVKRIGEA TALEVRATGI QYAFAPCIAV DATA SEQUENCE cRDPRWGRcY ESYSEDRRIV QSMTELIPGL QGDVPKDFTS GMPFVAGKNK DATA SEQUENCE VAACAKHFVG DGGTVDGINE NNTIINREGL MNIHMPAYKN AMDKGVSTVM DATA SEQUENCE ISYSSWNGVK MHANQDLVTG YLKDTLKFKG FVISDWEGID RITTPAGSDY DATA SEQUENCE SYSVKASILA GLDMIMVPNK YQQFISILTG HVNGGVIPMS RIDDAVTRIL DATA SEQUENCE RVKFTMGLFE NPYADPAMAE QLGKQEHRDL AREAARKSLV LLKNGKTSTD DATA SEQUENCE APLLPLPKKA PKILVAGSHA DNLGYQCGGW TIEWQGDTGR TTVGTTILEA DATA SEQUENCE VKAAVDPSTV VVFAENPDAE FVKSGGFSYA IVAVGEHPYT ETKGDNLNLT DATA SEQUENCE IPEPGLSTVQ AVcGGVRcAT VLISGRPVVV QPLLAASDAL VAAWLPGSEG DATA SEQUENCE QGVTDALFGD FGFTGRLPRT WFKSVDQLPM NVGDAHYDPL FRLGYGLTTN DATA SEQUENCE AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.347 176.300 0.079 0.000 2.045 1 D CA 0.000 54.037 54.000 0.061 0.000 0.868 1 D CB 0.000 40.840 40.800 0.067 0.000 0.688 2 Y N 0.787 121.074 120.300 -0.021 0.000 2.717 2 Y HA 0.347 4.900 4.550 0.005 0.000 0.330 2 Y C -0.367 175.505 175.900 -0.046 0.000 1.217 2 Y CA 0.156 58.235 58.100 -0.035 0.000 1.506 2 Y CB 0.470 38.911 38.460 -0.031 0.000 1.268 2 Y HN 0.233 nan 8.280 nan 0.000 0.561 3 V N 9.683 129.210 119.914 -0.644 0.000 2.277 3 V HA 0.001 4.124 4.120 0.005 0.000 0.269 3 V C 1.169 176.687 176.094 -0.960 0.000 1.036 3 V CA -0.629 61.290 62.300 -0.634 0.000 0.821 3 V CB 0.663 32.195 31.823 -0.485 0.000 1.052 3 V HN 0.942 nan 8.190 nan 0.000 0.462 4 L N 5.440 126.141 121.223 -0.870 0.000 2.010 4 L HA -0.214 4.129 4.340 0.005 0.000 0.219 4 L C 2.449 179.121 176.870 -0.329 0.000 1.077 4 L CA 2.920 57.420 54.840 -0.567 0.000 0.773 4 L CB -0.687 41.282 42.059 -0.151 0.000 0.892 4 L HN 0.880 nan 8.230 nan 0.000 0.436 5 Y N 0.009 120.151 120.300 -0.263 0.000 2.403 5 Y HA -0.148 4.406 4.550 0.007 0.000 0.291 5 Y C 2.191 178.014 175.900 -0.128 0.000 1.143 5 Y CA 1.237 59.197 58.100 -0.235 0.000 1.257 5 Y CB -0.861 37.539 38.460 -0.101 0.000 0.984 5 Y HN 0.130 nan 8.280 nan 0.000 0.550 6 K N 0.332 120.401 120.400 -0.552 0.000 2.444 6 K HA -0.040 4.283 4.320 0.005 0.000 0.193 6 K C -0.009 176.513 176.600 -0.130 0.000 1.024 6 K CA 0.387 56.487 56.287 -0.313 0.000 1.077 6 K CB 0.027 32.261 32.500 -0.443 0.000 0.833 6 K HN 0.222 nan 8.250 nan 0.000 0.517 7 D N 0.823 121.133 120.400 -0.150 0.000 2.365 7 D HA 0.108 4.751 4.640 0.005 0.000 0.237 7 D C 0.524 176.828 176.300 0.006 0.000 1.190 7 D CA -0.143 53.846 54.000 -0.019 0.000 0.867 7 D CB 1.289 42.139 40.800 0.082 0.000 1.050 7 D HN 0.117 nan 8.370 nan 0.000 0.491 8 A N 2.983 125.829 122.820 0.042 0.000 2.248 8 A HA -0.100 4.223 4.320 0.005 0.000 0.210 8 A C 1.808 179.414 177.584 0.037 0.000 1.174 8 A CA 1.432 53.502 52.037 0.054 0.000 0.750 8 A CB -0.403 18.646 19.000 0.082 0.000 0.780 8 A HN 0.601 nan 8.150 nan 0.000 0.478 9 T N -3.124 111.451 114.554 0.035 0.000 3.086 9 T HA 0.168 4.521 4.350 0.005 0.000 0.250 9 T C 0.579 175.287 174.700 0.013 0.000 1.074 9 T CA -0.216 61.901 62.100 0.028 0.000 0.988 9 T CB -0.021 68.867 68.868 0.032 0.000 0.988 9 T HN 0.155 nan 8.240 nan 0.000 0.530 10 K N 2.283 122.682 120.400 -0.003 0.000 2.098 10 K HA 0.501 4.824 4.320 0.005 0.000 0.261 10 K C -2.850 173.709 176.600 -0.068 0.000 0.987 10 K CA -2.767 53.504 56.287 -0.027 0.000 0.916 10 K CB 0.434 32.917 32.500 -0.027 0.000 1.039 10 K HN 0.076 nan 8.250 nan 0.000 0.455 11 P HA 0.000 nan 4.420 nan 0.000 0.267 11 P C 1.064 178.276 177.300 -0.147 0.000 1.200 11 P CA -0.175 62.881 63.100 -0.074 0.000 0.772 11 P CB 0.519 32.186 31.700 -0.054 0.000 0.855 12 V N 2.414 122.251 119.914 -0.129 0.000 2.252 12 V HA -0.269 3.854 4.120 0.005 0.000 0.249 12 V C 2.180 178.130 176.094 -0.241 0.000 1.056 12 V CA 1.902 64.083 62.300 -0.198 0.000 1.022 12 V CB -0.881 30.916 31.823 -0.042 0.000 0.641 12 V HN 0.618 nan 8.190 nan 0.000 0.445 13 E N -0.057 120.063 120.200 -0.133 0.000 2.085 13 E HA -0.231 4.122 4.350 0.005 0.000 0.194 13 E C 1.997 178.508 176.600 -0.147 0.000 0.994 13 E CA 1.517 57.848 56.400 -0.114 0.000 0.801 13 E CB -0.559 29.098 29.700 -0.072 0.000 0.743 13 E HN 0.644 nan 8.360 nan 0.000 0.453 14 D N 0.493 120.802 120.400 -0.152 0.000 2.097 14 D HA -0.120 4.524 4.640 0.005 0.000 0.195 14 D C 2.105 178.278 176.300 -0.212 0.000 0.989 14 D CA 0.844 54.761 54.000 -0.139 0.000 0.827 14 D CB -0.202 40.537 40.800 -0.101 0.000 0.966 14 D HN 0.173 nan 8.370 nan 0.000 0.456 15 R N 0.493 120.764 120.500 -0.381 0.000 2.081 15 R HA -0.068 4.276 4.340 0.005 0.000 0.235 15 R C 2.507 178.452 176.300 -0.592 0.000 1.131 15 R CA 0.613 56.336 56.100 -0.628 0.000 0.960 15 R CB -0.475 29.079 30.300 -1.243 0.000 0.856 15 R HN 0.059 nan 8.270 nan 0.000 0.436 16 V N 1.225 120.840 119.914 -0.498 0.000 2.261 16 V HA -0.278 3.845 4.120 0.005 0.000 0.246 16 V C 2.500 178.542 176.094 -0.087 0.000 1.047 16 V CA 2.062 64.278 62.300 -0.141 0.000 1.015 16 V CB -0.772 31.030 31.823 -0.035 0.000 0.642 16 V HN 0.435 nan 8.190 nan 0.000 0.446 17 A N -0.088 122.671 122.820 -0.102 0.000 1.883 17 A HA -0.344 3.979 4.320 0.005 0.000 0.217 17 A C 2.041 179.591 177.584 -0.056 0.000 1.186 17 A CA 2.450 54.447 52.037 -0.066 0.000 0.624 17 A CB -0.849 18.114 19.000 -0.061 0.000 0.822 17 A HN 0.634 nan 8.150 nan 0.000 0.444 18 D N -1.022 119.341 120.400 -0.061 0.000 2.117 18 D HA -0.150 4.494 4.640 0.005 0.000 0.197 18 D C 1.776 178.072 176.300 -0.006 0.000 0.987 18 D CA 1.396 55.388 54.000 -0.014 0.000 0.829 18 D CB -0.116 40.688 40.800 0.007 0.000 0.961 18 D HN 0.271 nan 8.370 nan 0.000 0.460 19 L N 0.009 121.186 121.223 -0.076 0.000 2.023 19 L HA 0.011 4.354 4.340 0.005 0.000 0.205 19 L C 2.070 178.842 176.870 -0.164 0.000 1.073 19 L CA 1.307 55.989 54.840 -0.262 0.000 0.745 19 L CB -1.058 40.788 42.059 -0.355 0.000 0.900 19 L HN 0.195 nan 8.230 nan 0.000 0.435 20 L N 0.324 121.491 121.223 -0.093 0.000 2.051 20 L HA -0.134 4.209 4.340 0.005 0.000 0.214 20 L C 2.283 179.113 176.870 -0.067 0.000 1.076 20 L CA 2.217 57.014 54.840 -0.072 0.000 0.758 20 L CB -1.504 40.528 42.059 -0.046 0.000 0.890 20 L HN 0.376 nan 8.230 nan 0.000 0.433 21 G N -1.365 107.404 108.800 -0.052 0.000 2.535 21 G HA2 -0.215 3.748 3.960 0.005 0.000 0.218 21 G HA3 -0.215 3.748 3.960 0.005 0.000 0.218 21 G C 1.620 176.498 174.900 -0.036 0.000 1.122 21 G CA 0.707 45.785 45.100 -0.037 0.000 0.769 21 G HN 0.484 nan 8.290 nan 0.000 0.549 22 R N -0.999 119.471 120.500 -0.050 0.000 2.308 22 R HA 0.325 4.668 4.340 0.005 0.000 0.202 22 R C 0.722 176.977 176.300 -0.075 0.000 0.898 22 R CA -0.264 55.811 56.100 -0.041 0.000 1.046 22 R CB 0.201 30.495 30.300 -0.010 0.000 1.026 22 R HN 0.309 nan 8.270 nan 0.000 0.512 23 M N 1.745 121.282 119.600 -0.105 0.000 2.228 23 M HA 0.061 4.545 4.480 0.005 0.000 0.351 23 M C 0.636 176.863 176.300 -0.123 0.000 1.233 23 M CA 0.155 55.371 55.300 -0.140 0.000 1.129 23 M CB 1.046 33.558 32.600 -0.148 0.000 1.604 23 M HN 0.064 nan 8.290 nan 0.000 0.457 24 T N -0.310 114.148 114.554 -0.160 0.000 2.824 24 T HA 0.244 4.597 4.350 0.005 0.000 0.277 24 T C 0.788 175.421 174.700 -0.111 0.000 0.975 24 T CA -0.997 61.030 62.100 -0.121 0.000 0.966 24 T CB 0.891 69.681 68.868 -0.131 0.000 1.054 24 T HN 0.641 nan 8.240 nan 0.000 0.533 25 L N 1.272 122.455 121.223 -0.067 0.000 2.083 25 L HA 0.110 4.454 4.340 0.005 0.000 0.209 25 L C 2.716 179.562 176.870 -0.040 0.000 1.083 25 L CA 2.328 57.140 54.840 -0.047 0.000 0.752 25 L CB -1.584 40.459 42.059 -0.026 0.000 0.899 25 L HN 0.919 nan 8.230 nan 0.000 0.433 26 A N -0.804 122.001 122.820 -0.025 0.000 1.933 26 A HA -0.217 4.107 4.320 0.005 0.000 0.218 26 A C 2.160 179.752 177.584 0.013 0.000 1.175 26 A CA 1.804 53.874 52.037 0.056 0.000 0.628 26 A CB -0.586 18.523 19.000 0.180 0.000 0.814 26 A HN 0.623 nan 8.150 nan 0.000 0.444 27 E N -0.334 119.709 120.200 -0.262 0.000 2.208 27 E HA -0.121 4.232 4.350 0.005 0.000 0.193 27 E C 1.959 178.470 176.600 -0.148 0.000 0.988 27 E CA 1.029 57.193 56.400 -0.394 0.000 0.828 27 E CB -0.045 29.281 29.700 -0.624 0.000 0.763 27 E HN 0.597 nan 8.360 nan 0.000 0.478 28 K N 0.532 120.870 120.400 -0.103 0.000 2.044 28 K HA 0.003 4.326 4.320 0.005 0.000 0.204 28 K C 2.081 178.672 176.600 -0.016 0.000 1.049 28 K CA 0.792 57.042 56.287 -0.061 0.000 0.945 28 K CB 0.011 32.477 32.500 -0.056 0.000 0.724 28 K HN 0.084 nan 8.250 nan 0.000 0.440 29 I N 1.067 121.639 120.570 0.003 0.000 2.567 29 I HA -0.176 3.998 4.170 0.005 0.000 0.257 29 I C 2.320 178.497 176.117 0.101 0.000 1.184 29 I CA 0.998 62.321 61.300 0.037 0.000 1.451 29 I CB -0.498 37.499 38.000 -0.005 0.000 1.089 29 I HN 0.308 nan 8.210 nan 0.000 0.441 30 G N -0.004 108.855 108.800 0.099 0.000 2.402 30 G HA2 -0.208 3.756 3.960 0.005 0.000 0.216 30 G HA3 -0.208 3.756 3.960 0.005 0.000 0.216 30 G C 1.555 176.494 174.900 0.066 0.000 1.162 30 G CA 0.205 45.385 45.100 0.133 0.000 0.777 30 G HN 0.251 nan 8.290 nan 0.000 0.539 31 Q N -0.025 119.784 119.800 0.015 0.000 2.170 31 Q HA 0.049 4.392 4.340 0.005 0.000 0.203 31 Q C 2.489 178.448 176.000 -0.069 0.000 0.976 31 Q CA 0.868 56.642 55.803 -0.048 0.000 0.858 31 Q CB -0.275 28.417 28.738 -0.077 0.000 0.907 31 Q HN 0.550 nan 8.270 nan 0.000 0.433 32 M N -0.013 119.587 119.600 -0.001 0.000 2.659 32 M HA -0.000 4.483 4.480 0.005 0.000 0.243 32 M C -0.018 176.313 176.300 0.052 0.000 1.111 32 M CA 0.478 55.791 55.300 0.022 0.000 1.070 32 M CB 0.232 32.902 32.600 0.117 0.000 1.525 32 M HN -0.205 nan 8.290 nan 0.000 0.517 33 T N 1.284 115.871 114.554 0.054 0.000 2.756 33 T HA 0.290 4.643 4.350 0.005 0.000 0.290 33 T C -0.504 174.149 174.700 -0.078 0.000 0.985 33 T CA -0.532 61.571 62.100 0.004 0.000 0.955 33 T CB 1.540 70.497 68.868 0.150 0.000 0.930 33 T HN 0.209 nan 8.240 nan 0.000 0.451 34 Q N 4.261 123.983 119.800 -0.131 0.000 2.333 34 Q HA 0.641 4.984 4.340 0.005 0.000 0.265 34 Q C -0.776 175.138 176.000 -0.144 0.000 0.989 34 Q CA -0.789 54.950 55.803 -0.106 0.000 0.842 34 Q CB 0.791 29.510 28.738 -0.033 0.000 1.262 34 Q HN 0.823 nan 8.270 nan 0.000 0.451 35 I N -0.606 119.866 120.570 -0.163 0.000 2.797 35 I HA 0.589 4.763 4.170 0.005 0.000 0.307 35 I C -0.268 175.737 176.117 -0.187 0.000 1.033 35 I CA -1.101 60.095 61.300 -0.173 0.000 1.071 35 I CB 1.996 39.882 38.000 -0.190 0.000 1.255 35 I HN 0.427 nan 8.210 nan 0.000 0.445 36 E N 2.713 122.823 120.200 -0.150 0.000 2.354 36 E HA 0.103 4.457 4.350 0.005 0.000 0.269 36 E C 0.829 177.365 176.600 -0.108 0.000 1.036 36 E CA -0.137 56.219 56.400 -0.074 0.000 0.876 36 E CB 1.527 31.221 29.700 -0.011 0.000 1.009 36 E HN 0.750 nan 8.360 nan 0.000 0.416 37 R N 3.526 123.981 120.500 -0.076 0.000 2.127 37 R HA -0.128 4.215 4.340 0.005 0.000 0.238 37 R C 2.055 178.361 176.300 0.010 0.000 1.134 37 R CA 1.078 57.106 56.100 -0.119 0.000 0.975 37 R CB -0.459 29.959 30.300 0.197 0.000 0.865 37 R HN 0.424 nan 8.270 nan 0.000 0.447 38 L N 1.683 122.950 121.223 0.073 0.000 2.261 38 L HA -0.104 4.239 4.340 0.005 0.000 0.216 38 L C 1.946 178.854 176.870 0.064 0.000 1.114 38 L CA 1.073 55.966 54.840 0.089 0.000 0.777 38 L CB -0.199 41.921 42.059 0.102 0.000 0.910 38 L HN 0.306 nan 8.230 nan 0.000 0.440 39 V N -4.529 115.404 119.914 0.031 0.000 3.319 39 V HA 0.487 4.610 4.120 0.005 0.000 0.317 39 V C 0.734 176.835 176.094 0.012 0.000 1.411 39 V CA -0.256 62.084 62.300 0.067 0.000 1.112 39 V CB -0.203 31.704 31.823 0.140 0.000 1.031 39 V HN 0.120 nan 8.190 nan 0.000 0.448 40 A N 0.271 123.036 122.820 -0.092 0.000 2.327 40 A HA 0.797 5.120 4.320 0.005 0.000 0.283 40 A C 0.175 177.755 177.584 -0.007 0.000 1.127 40 A CA 0.004 51.918 52.037 -0.206 0.000 0.810 40 A CB 0.870 19.518 19.000 -0.587 0.000 1.066 40 A HN 0.453 nan 8.150 nan 0.000 0.492 41 T N 2.666 117.216 114.554 -0.007 0.000 2.900 41 T HA 0.489 4.842 4.350 0.005 0.000 0.303 41 T C -2.194 172.551 174.700 0.074 0.000 1.142 41 T CA -0.747 61.404 62.100 0.084 0.000 1.007 41 T CB 1.965 70.860 68.868 0.045 0.000 1.156 41 T HN 0.320 nan 8.240 nan 0.000 0.490 42 P HA -0.095 nan 4.420 nan 0.000 0.216 42 P C 0.975 178.282 177.300 0.011 0.000 1.150 42 P CA 1.071 64.216 63.100 0.076 0.000 0.837 42 P CB 0.251 31.988 31.700 0.062 0.000 0.786 43 D N -0.939 119.459 120.400 -0.003 0.000 2.084 43 D HA -0.095 4.549 4.640 0.005 0.000 0.196 43 D C 2.078 178.329 176.300 -0.082 0.000 0.985 43 D CA 1.095 55.073 54.000 -0.036 0.000 0.826 43 D CB -0.682 40.107 40.800 -0.017 0.000 0.978 43 D HN -0.048 nan 8.370 nan 0.000 0.456 44 V N 1.706 121.571 119.914 -0.083 0.000 2.252 44 V HA -0.251 3.872 4.120 0.005 0.000 0.249 44 V C 2.744 178.693 176.094 -0.241 0.000 1.056 44 V CA 1.344 63.542 62.300 -0.170 0.000 1.022 44 V CB -0.598 31.087 31.823 -0.230 0.000 0.641 44 V HN 0.182 nan 8.190 nan 0.000 0.445 45 L N -0.641 120.468 121.223 -0.190 0.000 2.017 45 L HA -0.199 4.144 4.340 0.005 0.000 0.208 45 L C 2.745 179.518 176.870 -0.160 0.000 1.073 45 L CA 2.004 56.743 54.840 -0.168 0.000 0.745 45 L CB -0.643 41.366 42.059 -0.083 0.000 0.894 45 L HN 0.264 nan 8.230 nan 0.000 0.432 46 R N 0.271 120.687 120.500 -0.140 0.000 2.061 46 R HA -0.162 4.181 4.340 0.005 0.000 0.230 46 R C 1.921 177.977 176.300 -0.405 0.000 1.140 46 R CA 1.961 57.959 56.100 -0.171 0.000 0.940 46 R CB -0.142 30.103 30.300 -0.092 0.000 0.839 46 R HN 0.314 nan 8.270 nan 0.000 0.429 47 D N 0.143 120.329 120.400 -0.356 0.000 2.219 47 D HA -0.108 4.535 4.640 0.005 0.000 0.205 47 D C 0.959 176.873 176.300 -0.643 0.000 0.970 47 D CA 0.938 54.660 54.000 -0.463 0.000 0.851 47 D CB -0.219 40.447 40.800 -0.223 0.000 0.943 47 D HN 0.294 nan 8.370 nan 0.000 0.488 48 N N -0.028 118.401 118.700 -0.452 0.000 2.280 48 N HA -0.005 4.739 4.740 0.005 0.000 0.192 48 N C -0.159 175.266 175.510 -0.142 0.000 1.109 48 N CA -0.074 52.812 53.050 -0.273 0.000 0.855 48 N CB 0.506 38.907 38.487 -0.142 0.000 0.974 48 N HN 0.025 nan 8.380 nan 0.000 0.482 49 F N 0.329 120.254 119.950 -0.042 0.000 3.090 49 F HA -0.218 4.312 4.527 0.005 0.000 0.282 49 F C 0.152 175.914 175.800 -0.063 0.000 0.923 49 F CA -0.214 57.760 58.000 -0.045 0.000 0.977 49 F CB -2.104 36.878 39.000 -0.030 0.000 0.954 49 F HN -0.006 nan 8.300 nan 0.000 0.695 50 I N 0.715 121.286 120.570 0.001 0.000 2.821 50 I HA -0.073 4.101 4.170 0.005 0.000 0.294 50 I C 1.767 177.863 176.117 -0.035 0.000 1.210 50 I CA 1.232 62.503 61.300 -0.049 0.000 1.430 50 I CB 0.008 37.916 38.000 -0.153 0.000 1.356 50 I HN 0.420 nan 8.210 nan 0.000 0.563 51 G N 4.226 113.000 108.800 -0.043 0.000 2.838 51 G HA2 0.115 4.078 3.960 0.005 0.000 0.210 51 G HA3 0.115 4.078 3.960 0.005 0.000 0.210 51 G C 0.543 175.394 174.900 -0.082 0.000 1.153 51 G CA 0.361 45.418 45.100 -0.071 0.000 0.778 51 G HN 0.602 nan 8.290 nan 0.000 0.539 52 S N -1.345 114.309 115.700 -0.077 0.000 2.543 52 S HA 0.672 5.146 4.470 0.005 0.000 0.274 52 S C -1.877 172.654 174.600 -0.116 0.000 1.149 52 S CA -0.607 57.560 58.200 -0.054 0.000 0.866 52 S CB 1.192 64.394 63.200 0.003 0.000 1.111 52 S HN 0.018 nan 8.310 nan 0.000 0.457 53 L N 3.111 124.229 121.223 -0.176 0.000 2.283 53 L HA 0.908 5.251 4.340 0.005 0.000 0.259 53 L C -0.843 175.681 176.870 -0.576 0.000 1.027 53 L CA -0.646 53.962 54.840 -0.387 0.000 0.828 53 L CB 1.919 43.685 42.059 -0.489 0.000 1.380 53 L HN 0.835 nan 8.230 nan 0.000 0.425 54 L N -2.285 118.588 121.223 -0.584 0.000 2.710 54 L HA 0.745 5.088 4.340 0.005 0.000 0.260 54 L C -1.390 175.444 176.870 -0.061 0.000 0.993 54 L CA -0.399 54.216 54.840 -0.374 0.000 0.877 54 L CB 2.346 44.484 42.059 0.132 0.000 1.461 54 L HN 0.394 nan 8.230 nan 0.000 0.413 55 S N 0.805 116.650 115.700 0.242 0.000 2.456 55 S HA 0.729 5.202 4.470 0.005 0.000 0.316 55 S C 0.237 175.083 174.600 0.409 0.000 1.089 55 S CA -0.072 58.376 58.200 0.413 0.000 1.101 55 S CB 1.428 64.998 63.200 0.617 0.000 0.995 55 S HN 1.036 nan 8.310 nan 0.000 0.468 56 G N 1.784 110.808 108.800 0.372 0.000 2.588 56 G HA2 0.504 4.467 3.960 0.005 0.000 0.278 56 G HA3 0.504 4.467 3.960 0.005 0.000 0.278 56 G C 0.459 175.475 174.900 0.195 0.000 1.307 56 G CA -0.546 44.669 45.100 0.190 0.000 1.016 56 G HN 0.822 nan 8.290 nan 0.000 0.503 57 G N -1.743 107.131 108.800 0.123 0.000 2.225 57 G HA2 0.486 4.450 3.960 0.005 0.000 0.245 57 G HA3 0.486 4.450 3.960 0.005 0.000 0.245 57 G C 1.291 176.303 174.900 0.186 0.000 1.249 57 G CA 0.764 46.050 45.100 0.309 0.000 0.919 57 G HN 1.993 nan 8.290 nan 0.000 0.486 58 G N 1.092 110.065 108.800 0.288 0.000 2.212 58 G HA2 -0.285 3.678 3.960 0.005 0.000 0.266 58 G HA3 -0.285 3.678 3.960 0.005 0.000 0.266 58 G C 0.941 175.979 174.900 0.230 0.000 0.978 58 G CA 0.768 46.013 45.100 0.241 0.000 0.632 58 G HN 1.513 nan 8.290 nan 0.000 0.537 59 S N 0.754 116.607 115.700 0.255 0.000 2.700 59 S HA 0.546 5.019 4.470 0.005 0.000 0.321 59 S C 0.478 175.248 174.600 0.283 0.000 1.161 59 S CA 0.239 58.587 58.200 0.246 0.000 1.078 59 S CB -0.135 63.226 63.200 0.269 0.000 1.302 59 S HN 1.640 nan 8.310 nan 0.000 0.540 60 V N 3.684 123.698 119.914 0.168 0.000 3.074 60 V HA 0.676 4.800 4.120 0.005 0.000 0.314 60 V C -2.153 173.831 176.094 -0.182 0.000 1.117 60 V CA -2.068 60.223 62.300 -0.015 0.000 1.014 60 V CB 0.832 32.771 31.823 0.194 0.000 1.057 60 V HN 0.402 nan 8.190 nan 0.000 0.438 61 P HA 0.106 nan 4.420 nan 0.000 0.215 61 P C 0.125 177.316 177.300 -0.181 0.000 1.157 61 P CA 1.194 64.089 63.100 -0.342 0.000 0.863 61 P CB 0.119 31.490 31.700 -0.549 0.000 0.787 62 R N -2.439 117.968 120.500 -0.154 0.000 2.716 62 R HA 0.312 4.655 4.340 0.005 0.000 0.271 62 R C -0.791 175.498 176.300 -0.019 0.000 1.028 62 R CA -1.012 55.046 56.100 -0.070 0.000 0.883 62 R CB 1.179 31.434 30.300 -0.075 0.000 1.250 62 R HN -0.281 nan 8.270 nan 0.000 0.465 63 K N 0.706 121.100 120.400 -0.011 0.000 2.350 63 K HA 0.175 4.498 4.320 0.005 0.000 0.279 63 K C 0.886 177.442 176.600 -0.074 0.000 1.027 63 K CA 1.037 57.324 56.287 -0.001 0.000 0.969 63 K CB 0.948 33.440 32.500 -0.014 0.000 0.954 63 K HN 0.892 nan 8.250 nan 0.000 0.474 64 G N 1.495 110.233 108.800 -0.103 0.000 2.162 64 G HA2 -0.325 3.638 3.960 0.005 0.000 0.260 64 G HA3 -0.325 3.638 3.960 0.005 0.000 0.260 64 G C 0.391 175.258 174.900 -0.054 0.000 0.976 64 G CA 0.409 45.306 45.100 -0.339 0.000 0.655 64 G HN 0.860 nan 8.290 nan 0.000 0.533 65 A N 0.383 123.248 122.820 0.075 0.000 2.555 65 A HA 0.566 4.889 4.320 0.005 0.000 0.233 65 A C 1.233 178.966 177.584 0.249 0.000 1.060 65 A CA 1.454 53.549 52.037 0.096 0.000 0.759 65 A CB 0.076 19.059 19.000 -0.027 0.000 0.995 65 A HN 1.921 nan 8.150 nan 0.000 0.506 66 T N -0.926 113.740 114.554 0.186 0.000 2.788 66 T HA 0.526 4.879 4.350 0.005 0.000 0.280 66 T C 1.369 176.253 174.700 0.307 0.000 0.984 66 T CA -0.004 62.225 62.100 0.215 0.000 0.972 66 T CB 1.003 69.945 68.868 0.122 0.000 1.039 66 T HN 1.303 nan 8.240 nan 0.000 0.530 67 A N 0.752 123.700 122.820 0.214 0.000 1.933 67 A HA -0.032 4.291 4.320 0.005 0.000 0.218 67 A C 2.365 180.061 177.584 0.187 0.000 1.175 67 A CA 1.022 53.173 52.037 0.191 0.000 0.628 67 A CB -0.736 18.314 19.000 0.083 0.000 0.814 67 A HN 0.770 nan 8.150 nan 0.000 0.444 68 K N 0.083 120.556 120.400 0.122 0.000 2.097 68 K HA -0.123 4.200 4.320 0.005 0.000 0.205 68 K C 1.773 178.414 176.600 0.068 0.000 1.050 68 K CA 1.429 57.763 56.287 0.078 0.000 0.938 68 K CB -0.345 32.181 32.500 0.043 0.000 0.718 68 K HN 0.703 nan 8.250 nan 0.000 0.442 69 E N -0.545 119.698 120.200 0.072 0.000 2.051 69 E HA -0.194 4.160 4.350 0.005 0.000 0.192 69 E C 2.013 178.583 176.600 -0.050 0.000 0.991 69 E CA 1.207 57.595 56.400 -0.020 0.000 0.799 69 E CB -0.195 29.468 29.700 -0.062 0.000 0.748 69 E HN 0.352 nan 8.360 nan 0.000 0.449 70 W N 1.588 122.870 121.300 -0.030 0.000 2.355 70 W HA -0.160 4.503 4.660 0.005 0.000 0.309 70 W C 2.509 178.977 176.519 -0.086 0.000 1.206 70 W CA 1.066 58.378 57.345 -0.054 0.000 1.284 70 W CB -0.375 29.062 29.460 -0.038 0.000 1.145 70 W HN 0.100 nan 8.180 nan 0.000 0.502 71 Q N -0.166 119.739 119.800 0.176 0.000 2.096 71 Q HA -0.227 4.117 4.340 0.005 0.000 0.204 71 Q C 1.653 177.665 176.000 0.021 0.000 0.982 71 Q CA 1.751 57.603 55.803 0.082 0.000 0.850 71 Q CB -0.428 28.353 28.738 0.072 0.000 0.901 71 Q HN 0.257 nan 8.270 nan 0.000 0.422 72 D N 0.092 120.483 120.400 -0.014 0.000 2.144 72 D HA -0.153 4.490 4.640 0.005 0.000 0.200 72 D C 1.707 177.918 176.300 -0.147 0.000 0.978 72 D CA 0.906 54.865 54.000 -0.068 0.000 0.833 72 D CB -0.164 40.591 40.800 -0.076 0.000 0.961 72 D HN 0.258 nan 8.370 nan 0.000 0.470 73 M N 0.394 119.880 119.600 -0.191 0.000 2.099 73 M HA -0.150 4.333 4.480 0.005 0.000 0.262 73 M C 1.889 177.960 176.300 -0.382 0.000 1.067 73 M CA 1.211 56.296 55.300 -0.358 0.000 1.124 73 M CB 0.092 32.501 32.600 -0.319 0.000 1.353 73 M HN -0.155 nan 8.290 nan 0.000 0.410 74 V N 1.006 120.837 119.914 -0.138 0.000 2.295 74 V HA -0.283 3.840 4.120 0.005 0.000 0.246 74 V C 1.892 178.027 176.094 0.068 0.000 1.049 74 V CA 2.109 64.409 62.300 -0.001 0.000 1.024 74 V CB -1.031 30.749 31.823 -0.072 0.000 0.648 74 V HN 0.463 nan 8.190 nan 0.000 0.447 75 D N 0.684 121.119 120.400 0.058 0.000 2.182 75 D HA -0.131 4.512 4.640 0.005 0.000 0.201 75 D C 2.188 178.559 176.300 0.117 0.000 0.986 75 D CA 1.642 55.749 54.000 0.179 0.000 0.847 75 D CB -0.533 40.360 40.800 0.154 0.000 0.942 75 D HN 0.490 nan 8.370 nan 0.000 0.467 76 G N 0.073 108.831 108.800 -0.069 0.000 2.418 76 G HA2 -0.248 3.716 3.960 0.005 0.000 0.217 76 G HA3 -0.248 3.716 3.960 0.005 0.000 0.217 76 G C 1.354 176.236 174.900 -0.030 0.000 1.158 76 G CA 0.300 45.319 45.100 -0.136 0.000 0.771 76 G HN 0.169 nan 8.290 nan 0.000 0.545 77 F N 0.644 120.642 119.950 0.080 0.000 2.206 77 F HA 0.039 4.569 4.527 0.005 0.000 0.298 77 F C 2.774 178.613 175.800 0.064 0.000 1.090 77 F CA 1.047 59.092 58.000 0.076 0.000 1.323 77 F CB -0.888 38.188 39.000 0.126 0.000 1.028 77 F HN 0.156 nan 8.300 nan 0.000 0.492 78 Q N 0.997 120.949 119.800 0.253 0.000 2.084 78 Q HA -0.181 4.162 4.340 0.005 0.000 0.202 78 Q C 2.059 178.135 176.000 0.126 0.000 0.978 78 Q CA 1.818 57.686 55.803 0.108 0.000 0.844 78 Q CB -0.268 28.458 28.738 -0.020 0.000 0.898 78 Q HN 0.270 nan 8.270 nan 0.000 0.426 79 K N -0.573 119.977 120.400 0.249 0.000 2.103 79 K HA -0.163 4.160 4.320 0.005 0.000 0.207 79 K C 1.973 178.654 176.600 0.135 0.000 1.048 79 K CA 1.138 57.567 56.287 0.237 0.000 0.930 79 K CB -0.271 32.331 32.500 0.170 0.000 0.716 79 K HN 0.314 nan 8.250 nan 0.000 0.444 80 A N 0.840 123.731 122.820 0.119 0.000 1.877 80 A HA -0.186 4.138 4.320 0.005 0.000 0.216 80 A C 2.403 180.023 177.584 0.061 0.000 1.186 80 A CA 1.563 53.651 52.037 0.084 0.000 0.620 80 A CB -0.903 18.158 19.000 0.101 0.000 0.822 80 A HN 0.435 nan 8.150 nan 0.000 0.443 81 C N -0.789 118.545 119.300 0.057 0.000 2.440 81 C HA -0.051 4.412 4.460 0.005 0.000 0.278 81 C C 2.678 177.682 174.990 0.023 0.000 1.295 81 C CA 1.025 60.058 59.018 0.025 0.000 1.738 81 C CB -1.031 26.704 27.740 -0.009 0.000 1.987 81 C HN 0.546 nan 8.230 nan 0.000 0.492 82 M N 1.843 121.459 119.600 0.026 0.000 2.549 82 M HA -0.041 4.442 4.480 0.005 0.000 0.260 82 M C 2.125 178.469 176.300 0.074 0.000 1.076 82 M CA 1.220 56.541 55.300 0.034 0.000 1.090 82 M CB -1.260 31.382 32.600 0.070 0.000 1.418 82 M HN 0.605 nan 8.290 nan 0.000 0.486 83 S N -1.082 114.665 115.700 0.077 0.000 2.575 83 S HA 0.028 4.501 4.470 0.005 0.000 0.215 83 S C 0.978 175.633 174.600 0.091 0.000 0.966 83 S CA -0.078 58.169 58.200 0.078 0.000 0.911 83 S CB -0.906 62.333 63.200 0.064 0.000 0.780 83 S HN 0.529 nan 8.310 nan 0.000 0.514 84 T N -0.329 114.293 114.554 0.113 0.000 2.802 84 T HA 0.278 4.631 4.350 0.005 0.000 0.305 84 T C 1.001 175.802 174.700 0.168 0.000 1.053 84 T CA -0.577 61.635 62.100 0.185 0.000 1.058 84 T CB 0.808 69.848 68.868 0.287 0.000 0.988 84 T HN 0.290 nan 8.240 nan 0.000 0.539 85 R N 0.006 120.623 120.500 0.195 0.000 2.113 85 R HA -0.099 4.244 4.340 0.005 0.000 0.244 85 R C 2.011 178.385 176.300 0.123 0.000 1.142 85 R CA 1.769 57.948 56.100 0.131 0.000 0.953 85 R CB -0.544 29.817 30.300 0.103 0.000 0.860 85 R HN 0.785 nan 8.270 nan 0.000 0.438 86 L N -0.963 120.326 121.223 0.110 0.000 2.477 86 L HA 0.228 4.571 4.340 0.005 0.000 0.220 86 L C 1.128 178.129 176.870 0.218 0.000 1.106 86 L CA 0.372 55.309 54.840 0.161 0.000 0.851 86 L CB 0.185 42.252 42.059 0.014 0.000 0.994 86 L HN 0.555 nan 8.230 nan 0.000 0.462 87 G N 1.845 110.731 108.800 0.142 0.000 2.295 87 G HA2 -0.286 3.677 3.960 0.005 0.000 0.287 87 G HA3 -0.286 3.677 3.960 0.005 0.000 0.287 87 G C 0.149 175.062 174.900 0.022 0.000 1.055 87 G CA -0.099 45.063 45.100 0.103 0.000 0.922 87 G HN 0.323 nan 8.290 nan 0.000 0.503 88 I N 1.070 121.621 120.570 -0.030 0.000 2.452 88 I HA 0.171 4.344 4.170 0.005 0.000 0.287 88 I C -1.572 174.347 176.117 -0.329 0.000 1.079 88 I CA -1.988 59.183 61.300 -0.215 0.000 1.387 88 I CB 0.821 38.748 38.000 -0.122 0.000 1.404 88 I HN -0.040 nan 8.210 nan 0.000 0.522 89 P HA 0.065 nan 4.420 nan 0.000 0.269 89 P C -0.555 176.558 177.300 -0.312 0.000 1.209 89 P CA -0.359 62.466 63.100 -0.459 0.000 0.776 89 P CB 0.556 31.881 31.700 -0.625 0.000 0.876 90 M N 2.215 121.710 119.600 -0.175 0.000 2.359 90 M HA 0.539 5.023 4.480 0.005 0.000 0.322 90 M C -0.578 175.696 176.300 -0.044 0.000 1.166 90 M CA -0.338 54.907 55.300 -0.091 0.000 1.067 90 M CB 0.741 33.325 32.600 -0.027 0.000 1.523 90 M HN 0.191 nan 8.290 nan 0.000 0.467 91 I N 1.833 122.409 120.570 0.009 0.000 2.378 91 I HA 0.423 4.596 4.170 0.005 0.000 0.291 91 I C -1.862 174.374 176.117 0.197 0.000 0.992 91 I CA -0.831 60.523 61.300 0.091 0.000 1.154 91 I CB 0.953 38.995 38.000 0.071 0.000 1.315 91 I HN 0.793 nan 8.210 nan 0.000 0.448 92 Y N 6.555 126.934 120.300 0.131 0.000 2.326 92 Y HA 0.661 5.214 4.550 0.005 0.000 0.337 92 Y C 0.333 176.315 175.900 0.137 0.000 1.023 92 Y CA -0.320 57.870 58.100 0.150 0.000 1.143 92 Y CB 1.489 40.039 38.460 0.150 0.000 1.183 92 Y HN 0.576 nan 8.280 nan 0.000 0.485 93 G N 5.663 114.494 108.800 0.053 0.000 2.454 93 G HA2 0.680 4.643 3.960 0.005 0.000 0.329 93 G HA3 0.680 4.643 3.960 0.005 0.000 0.329 93 G C -1.808 172.898 174.900 -0.323 0.000 1.177 93 G CA -0.743 44.136 45.100 -0.368 0.000 0.951 93 G HN 0.772 nan 8.290 nan 0.000 0.485 94 I N -0.713 119.432 120.570 -0.708 0.000 2.947 94 I HA 0.252 4.425 4.170 0.005 0.000 0.301 94 I C -1.461 174.504 176.117 -0.253 0.000 1.453 94 I CA -0.958 60.236 61.300 -0.176 0.000 0.984 94 I CB 2.508 40.548 38.000 0.067 0.000 1.333 94 I HN 0.342 nan 8.210 nan 0.000 0.475 95 D N 6.060 126.504 120.400 0.072 0.000 2.470 95 D HA 0.308 4.951 4.640 0.005 0.000 0.226 95 D C -0.205 176.051 176.300 -0.072 0.000 1.196 95 D CA 0.123 54.099 54.000 -0.039 0.000 0.979 95 D CB 1.201 41.851 40.800 -0.250 0.000 1.059 95 D HN 0.502 nan 8.370 nan 0.000 0.515 96 A N 2.312 125.067 122.820 -0.108 0.000 3.000 96 A HA 0.260 4.584 4.320 0.005 0.000 0.315 96 A C 1.319 178.871 177.584 -0.053 0.000 1.434 96 A CA -0.624 51.379 52.037 -0.057 0.000 1.108 96 A CB -0.163 18.783 19.000 -0.090 0.000 1.171 96 A HN 0.386 nan 8.150 nan 0.000 0.524 97 V N -0.893 119.004 119.914 -0.030 0.000 3.506 97 V HA 0.147 4.270 4.120 0.005 0.000 0.263 97 V C 0.738 176.897 176.094 0.110 0.000 1.203 97 V CA 1.595 63.864 62.300 -0.052 0.000 1.133 97 V CB -1.679 29.990 31.823 -0.257 0.000 0.802 97 V HN 0.980 nan 8.190 nan 0.000 0.459 98 H N -1.683 117.373 119.070 -0.023 0.000 3.229 98 H HA 0.632 5.192 4.556 0.005 0.000 0.211 98 H C 0.182 175.602 175.328 0.153 0.000 1.364 98 H CA -0.238 55.815 56.048 0.008 0.000 1.270 98 H CB 0.152 29.820 29.762 -0.156 0.000 2.309 98 H HN 0.693 nan 8.280 nan 0.000 0.520 99 G N 1.180 110.077 108.800 0.162 0.000 2.541 99 G HA2 -0.212 3.751 3.960 0.005 0.000 0.686 99 G HA3 -0.212 3.751 3.960 0.005 0.000 0.686 99 G C -0.783 174.130 174.900 0.021 0.000 1.286 99 G CA -0.641 44.566 45.100 0.179 0.000 0.894 99 G HN 0.471 nan 8.290 nan 0.000 0.575 100 Q N 0.673 120.458 119.800 -0.024 0.000 3.223 100 Q HA 0.231 4.574 4.340 0.005 0.000 0.299 100 Q C 1.826 177.776 176.000 -0.084 0.000 1.385 100 Q CA 0.963 56.711 55.803 -0.091 0.000 0.942 100 Q CB -0.966 27.678 28.738 -0.156 0.000 1.748 100 Q HN 0.693 nan 8.270 nan 0.000 0.523 101 N N 0.109 118.801 118.700 -0.013 0.000 2.334 101 N HA -0.239 4.505 4.740 0.005 0.000 0.187 101 N C 0.647 176.229 175.510 0.120 0.000 1.016 101 N CA 1.886 54.958 53.050 0.036 0.000 0.879 101 N CB -0.160 38.445 38.487 0.196 0.000 0.965 101 N HN 0.480 nan 8.380 nan 0.000 0.438 102 N N -0.819 117.956 118.700 0.124 0.000 2.409 102 N HA 0.054 4.797 4.740 0.005 0.000 0.179 102 N C -0.681 174.933 175.510 0.174 0.000 1.032 102 N CA 0.143 53.316 53.050 0.206 0.000 0.898 102 N CB 0.363 39.007 38.487 0.261 0.000 0.971 102 N HN 0.006 nan 8.380 nan 0.000 0.441 103 V N 1.710 121.607 119.914 -0.027 0.000 2.488 103 V HA 0.005 4.128 4.120 0.005 0.000 0.277 103 V C -0.262 175.880 176.094 0.079 0.000 1.046 103 V CA -0.565 61.714 62.300 -0.035 0.000 0.986 103 V CB 0.176 31.756 31.823 -0.405 0.000 0.989 103 V HN 0.167 nan 8.190 nan 0.000 0.475 104 Y N 4.112 124.480 120.300 0.113 0.000 2.526 104 Y HA 0.421 4.974 4.550 0.005 0.000 0.330 104 Y C 1.299 177.216 175.900 0.028 0.000 1.156 104 Y CA 1.156 59.302 58.100 0.077 0.000 1.419 104 Y CB 0.617 39.143 38.460 0.109 0.000 1.250 104 Y HN 0.936 nan 8.280 nan 0.000 0.540 105 G N 3.054 111.426 108.800 -0.715 0.000 2.176 105 G HA2 -0.236 3.727 3.960 0.005 0.000 0.253 105 G HA3 -0.236 3.727 3.960 0.005 0.000 0.253 105 G C 0.186 174.931 174.900 -0.259 0.000 0.979 105 G CA 0.010 44.814 45.100 -0.493 0.000 0.641 105 G HN 1.249 nan 8.290 nan 0.000 0.530 106 A N 0.293 122.986 122.820 -0.211 0.000 2.371 106 A HA 0.670 4.993 4.320 0.005 0.000 0.257 106 A C 0.822 178.282 177.584 -0.206 0.000 1.089 106 A CA 0.932 52.871 52.037 -0.163 0.000 0.794 106 A CB 0.322 19.237 19.000 -0.142 0.000 1.029 106 A HN 0.797 nan 8.150 nan 0.000 0.488 107 T N 3.192 117.628 114.554 -0.197 0.000 2.853 107 T HA 0.275 4.628 4.350 0.005 0.000 0.298 107 T C 0.174 174.598 174.700 -0.460 0.000 0.978 107 T CA 0.404 62.289 62.100 -0.358 0.000 1.152 107 T CB -0.214 68.395 68.868 -0.432 0.000 0.914 107 T HN 0.326 nan 8.240 nan 0.000 0.539 108 I N 5.065 125.340 120.570 -0.490 0.000 2.306 108 I HA 0.326 4.500 4.170 0.005 0.000 0.288 108 I C 0.093 175.919 176.117 -0.484 0.000 1.036 108 I CA -0.827 60.178 61.300 -0.493 0.000 1.221 108 I CB -0.216 37.544 38.000 -0.402 0.000 1.385 108 I HN 0.509 nan 8.210 nan 0.000 0.472 109 F N 7.020 126.816 119.950 -0.257 0.000 2.375 109 F HA 0.389 4.919 4.527 0.005 0.000 0.313 109 F C -1.721 174.051 175.800 -0.046 0.000 1.176 109 F CA -1.911 56.020 58.000 -0.115 0.000 1.142 109 F CB -0.087 38.868 39.000 -0.076 0.000 1.275 109 F HN 0.269 nan 8.300 nan 0.000 0.544 110 P HA 0.029 nan 4.420 nan 0.000 0.271 110 P C -0.462 176.945 177.300 0.179 0.000 1.218 110 P CA 0.123 63.328 63.100 0.175 0.000 0.780 110 P CB 0.331 32.137 31.700 0.176 0.000 0.901 111 H N 2.103 121.282 119.070 0.182 0.000 2.822 111 H HA 0.043 4.602 4.556 0.006 0.000 0.373 111 H C 1.447 176.793 175.328 0.031 0.000 1.223 111 H CA 0.467 56.560 56.048 0.075 0.000 1.436 111 H CB 0.476 30.242 29.762 0.006 0.000 1.439 111 H HN 0.402 nan 8.280 nan 0.000 0.618 112 N N 0.776 119.542 118.700 0.110 0.000 2.091 112 N HA -0.185 4.558 4.740 0.005 0.000 0.193 112 N C 2.039 177.511 175.510 -0.064 0.000 1.021 112 N CA 1.052 54.032 53.050 -0.116 0.000 0.862 112 N CB -0.536 37.588 38.487 -0.604 0.000 1.018 112 N HN 0.375 nan 8.380 nan 0.000 0.429 113 V N 0.752 120.603 119.914 -0.105 0.000 2.324 113 V HA -0.175 3.948 4.120 0.005 0.000 0.250 113 V C 2.016 177.795 176.094 -0.525 0.000 1.060 113 V CA 2.426 64.557 62.300 -0.282 0.000 1.042 113 V CB -0.992 30.645 31.823 -0.310 0.000 0.650 113 V HN 0.406 nan 8.190 nan 0.000 0.450 114 G N -0.811 107.757 108.800 -0.387 0.000 2.421 114 G HA2 -0.144 3.819 3.960 0.005 0.000 0.217 114 G HA3 -0.144 3.819 3.960 0.005 0.000 0.217 114 G C 1.505 176.354 174.900 -0.085 0.000 1.143 114 G CA 0.876 45.756 45.100 -0.367 0.000 0.784 114 G HN 0.534 nan 8.290 nan 0.000 0.541 115 L N 0.750 121.988 121.223 0.025 0.000 2.201 115 L HA 0.046 4.390 4.340 0.005 0.000 0.212 115 L C 3.012 179.924 176.870 0.069 0.000 1.105 115 L CA 0.801 55.698 54.840 0.095 0.000 0.775 115 L CB -0.395 41.783 42.059 0.198 0.000 0.913 115 L HN 0.328 nan 8.230 nan 0.000 0.440 116 G N -0.462 108.377 108.800 0.066 0.000 2.421 116 G HA2 -0.134 3.829 3.960 0.005 0.000 0.217 116 G HA3 -0.134 3.829 3.960 0.005 0.000 0.217 116 G C 1.735 176.632 174.900 -0.006 0.000 1.143 116 G CA 0.606 45.725 45.100 0.031 0.000 0.784 116 G HN 0.427 nan 8.290 nan 0.000 0.541 117 A N 0.914 123.710 122.820 -0.041 0.000 2.125 117 A HA 0.015 4.338 4.320 0.005 0.000 0.219 117 A C 2.552 180.191 177.584 0.092 0.000 1.156 117 A CA 2.340 54.409 52.037 0.052 0.000 0.671 117 A CB -0.745 18.338 19.000 0.138 0.000 0.794 117 A HN 0.491 nan 8.150 nan 0.000 0.459 118 T N -4.683 109.908 114.554 0.061 0.000 3.014 118 T HA -0.018 4.335 4.350 0.005 0.000 0.263 118 T C 1.047 175.769 174.700 0.036 0.000 1.078 118 T CA 0.609 62.742 62.100 0.057 0.000 1.135 118 T CB -0.141 68.751 68.868 0.040 0.000 0.895 118 T HN 0.397 nan 8.240 nan 0.000 0.480 119 R N 1.237 121.747 120.500 0.017 0.000 3.863 119 R HA -0.128 4.215 4.340 0.005 0.000 0.313 119 R C -0.687 175.612 176.300 -0.002 0.000 1.202 119 R CA 1.038 57.140 56.100 0.004 0.000 0.852 119 R CB -2.646 27.667 30.300 0.022 0.000 1.292 119 R HN 0.618 nan 8.270 nan 0.000 0.519 120 D N -0.091 120.305 120.400 -0.006 0.000 2.479 120 D HA 0.294 4.938 4.640 0.005 0.000 0.247 120 D C -1.688 174.602 176.300 -0.017 0.000 1.119 120 D CA -2.223 51.781 54.000 0.006 0.000 0.922 120 D CB 1.113 41.925 40.800 0.020 0.000 1.014 120 D HN -0.048 nan 8.370 nan 0.000 0.510 121 P HA -0.140 nan 4.420 nan 0.000 0.218 121 P C 1.102 178.405 177.300 0.006 0.000 1.149 121 P CA 0.673 63.744 63.100 -0.049 0.000 0.817 121 P CB 0.080 31.752 31.700 -0.047 0.000 0.785 122 Y N 0.404 120.662 120.300 -0.070 0.000 2.293 122 Y HA -0.126 4.427 4.550 0.005 0.000 0.291 122 Y C 1.995 177.858 175.900 -0.062 0.000 1.137 122 Y CA 0.850 58.913 58.100 -0.061 0.000 1.202 122 Y CB -1.019 37.415 38.460 -0.044 0.000 0.990 122 Y HN -0.196 nan 8.280 nan 0.000 0.537 123 L N -0.600 120.541 121.223 -0.137 0.000 1.994 123 L HA -0.143 4.200 4.340 0.005 0.000 0.208 123 L C 2.252 178.989 176.870 -0.222 0.000 1.071 123 L CA 1.854 56.573 54.840 -0.202 0.000 0.745 123 L CB -1.142 40.869 42.059 -0.080 0.000 0.892 123 L HN 0.064 nan 8.230 nan 0.000 0.431 124 V N 0.206 120.022 119.914 -0.162 0.000 2.332 124 V HA -0.334 3.789 4.120 0.005 0.000 0.248 124 V C 2.682 178.652 176.094 -0.207 0.000 1.055 124 V CA 2.207 64.407 62.300 -0.166 0.000 1.038 124 V CB -0.884 30.846 31.823 -0.154 0.000 0.651 124 V HN 0.576 nan 8.190 nan 0.000 0.450 125 K N 0.089 120.369 120.400 -0.200 0.000 2.063 125 K HA -0.219 4.105 4.320 0.005 0.000 0.208 125 K C 2.377 178.822 176.600 -0.259 0.000 1.048 125 K CA 1.628 57.803 56.287 -0.186 0.000 0.928 125 K CB -0.119 32.316 32.500 -0.109 0.000 0.713 125 K HN 0.321 nan 8.250 nan 0.000 0.442 126 R N 0.352 120.627 120.500 -0.375 0.000 2.096 126 R HA -0.021 4.322 4.340 0.005 0.000 0.235 126 R C 2.299 178.398 176.300 -0.335 0.000 1.127 126 R CA 1.493 57.374 56.100 -0.365 0.000 0.968 126 R CB -0.201 29.836 30.300 -0.439 0.000 0.861 126 R HN 0.265 nan 8.270 nan 0.000 0.440 127 I N -0.420 119.913 120.570 -0.394 0.000 2.286 127 I HA -0.179 3.994 4.170 0.005 0.000 0.248 127 I C 2.388 178.155 176.117 -0.584 0.000 1.115 127 I CA 1.415 62.313 61.300 -0.670 0.000 1.392 127 I CB -0.528 37.030 38.000 -0.737 0.000 1.065 127 I HN 0.334 nan 8.210 nan 0.000 0.418 128 G N 0.464 109.045 108.800 -0.365 0.000 2.448 128 G HA2 -0.195 3.768 3.960 0.005 0.000 0.219 128 G HA3 -0.195 3.768 3.960 0.005 0.000 0.219 128 G C 1.482 176.247 174.900 -0.225 0.000 1.127 128 G CA 0.469 45.414 45.100 -0.259 0.000 0.766 128 G HN 0.456 nan 8.290 nan 0.000 0.552 129 E N 0.587 120.649 120.200 -0.229 0.000 2.076 129 E HA 0.080 4.433 4.350 0.005 0.000 0.190 129 E C 2.885 179.348 176.600 -0.228 0.000 0.979 129 E CA 0.635 56.927 56.400 -0.179 0.000 0.807 129 E CB -0.137 29.476 29.700 -0.145 0.000 0.761 129 E HN 0.392 nan 8.360 nan 0.000 0.454 130 A N 1.258 123.874 122.820 -0.340 0.000 1.930 130 A HA -0.127 4.196 4.320 0.005 0.000 0.217 130 A C 2.370 179.735 177.584 -0.365 0.000 1.175 130 A CA 1.620 53.331 52.037 -0.545 0.000 0.627 130 A CB -0.777 17.887 19.000 -0.560 0.000 0.815 130 A HN 0.136 nan 8.150 nan 0.000 0.443 131 T N 0.371 114.748 114.554 -0.294 0.000 2.708 131 T HA -0.033 4.320 4.350 0.005 0.000 0.266 131 T C 2.256 176.881 174.700 -0.125 0.000 1.037 131 T CA 1.601 63.599 62.100 -0.170 0.000 1.146 131 T CB -0.469 68.270 68.868 -0.215 0.000 0.865 131 T HN 0.589 nan 8.240 nan 0.000 0.435 132 A N 1.340 124.081 122.820 -0.133 0.000 1.883 132 A HA -0.046 4.277 4.320 0.005 0.000 0.217 132 A C 2.326 179.871 177.584 -0.065 0.000 1.186 132 A CA 1.362 53.346 52.037 -0.088 0.000 0.624 132 A CB -0.989 17.963 19.000 -0.080 0.000 0.822 132 A HN 0.472 nan 8.150 nan 0.000 0.444 133 L N -0.765 120.416 121.223 -0.069 0.000 2.042 133 L HA -0.233 4.110 4.340 0.005 0.000 0.210 133 L C 2.603 179.481 176.870 0.014 0.000 1.076 133 L CA 1.830 56.663 54.840 -0.011 0.000 0.749 133 L CB -0.559 41.518 42.059 0.030 0.000 0.893 133 L HN 0.490 nan 8.230 nan 0.000 0.432 134 E N -0.771 119.431 120.200 0.003 0.000 2.274 134 E HA -0.128 4.225 4.350 0.005 0.000 0.194 134 E C 2.214 178.779 176.600 -0.059 0.000 0.996 134 E CA 0.682 57.089 56.400 0.011 0.000 0.840 134 E CB 0.197 29.926 29.700 0.048 0.000 0.772 134 E HN 0.316 nan 8.360 nan 0.000 0.491 135 V N 1.038 120.909 119.914 -0.072 0.000 2.407 135 V HA -0.144 3.979 4.120 0.005 0.000 0.245 135 V C 2.191 178.239 176.094 -0.077 0.000 1.041 135 V CA 1.171 63.409 62.300 -0.103 0.000 1.040 135 V CB -0.248 31.521 31.823 -0.090 0.000 0.671 135 V HN 0.139 nan 8.190 nan 0.000 0.455 136 R N 0.405 120.880 120.500 -0.041 0.000 2.189 136 R HA 0.031 4.374 4.340 0.005 0.000 0.223 136 R C 2.242 178.536 176.300 -0.010 0.000 1.092 136 R CA 1.222 57.312 56.100 -0.018 0.000 0.989 136 R CB -0.932 29.364 30.300 -0.006 0.000 0.876 136 R HN 0.521 nan 8.270 nan 0.000 0.457 137 A N 0.558 123.367 122.820 -0.017 0.000 2.070 137 A HA -0.113 4.211 4.320 0.005 0.000 0.220 137 A C 1.848 179.426 177.584 -0.010 0.000 1.159 137 A CA 1.863 53.897 52.037 -0.006 0.000 0.656 137 A CB -0.388 18.609 19.000 -0.005 0.000 0.800 137 A HN 0.426 nan 8.150 nan 0.000 0.453 138 T N -5.428 109.095 114.554 -0.051 0.000 3.105 138 T HA 0.437 4.790 4.350 0.005 0.000 0.253 138 T C 1.274 175.997 174.700 0.038 0.000 1.047 138 T CA 0.981 63.065 62.100 -0.027 0.000 0.944 138 T CB 0.250 68.942 68.868 -0.293 0.000 1.016 138 T HN 1.606 nan 8.240 nan 0.000 0.544 139 G N 1.502 110.309 108.800 0.012 0.000 2.179 139 G HA2 -0.214 3.749 3.960 0.005 0.000 0.260 139 G HA3 -0.214 3.749 3.960 0.005 0.000 0.260 139 G C 0.013 174.910 174.900 -0.005 0.000 0.977 139 G CA 0.099 45.211 45.100 0.020 0.000 0.641 139 G HN 0.657 nan 8.290 nan 0.000 0.533 140 I N 0.103 120.657 120.570 -0.027 0.000 2.532 140 I HA 0.387 4.560 4.170 0.005 0.000 0.292 140 I C 1.150 177.291 176.117 0.041 0.000 1.014 140 I CA -0.375 60.930 61.300 0.008 0.000 1.340 140 I CB 1.569 39.567 38.000 -0.002 0.000 1.422 140 I HN 0.085 nan 8.210 nan 0.000 0.528 141 Q N 4.025 123.886 119.800 0.103 0.000 2.171 141 Q HA 0.205 4.548 4.340 0.005 0.000 0.218 141 Q C -1.095 174.988 176.000 0.138 0.000 0.822 141 Q CA 0.004 55.857 55.803 0.083 0.000 0.987 141 Q CB 0.686 29.462 28.738 0.064 0.000 1.144 141 Q HN 0.537 nan 8.270 nan 0.000 0.494 142 Y N 0.563 120.831 120.300 -0.053 0.000 2.396 142 Y HA 0.712 5.266 4.550 0.006 0.000 0.332 142 Y C -1.767 173.963 175.900 -0.283 0.000 1.034 142 Y CA -2.293 55.729 58.100 -0.129 0.000 1.057 142 Y CB 1.065 39.475 38.460 -0.082 0.000 1.220 142 Y HN -0.071 nan 8.280 nan 0.000 0.440 143 A N 5.522 128.219 122.820 -0.204 0.000 2.318 143 A HA 0.627 4.950 4.320 0.005 0.000 0.317 143 A C -1.518 175.799 177.584 -0.445 0.000 1.159 143 A CA -0.571 51.219 52.037 -0.412 0.000 0.799 143 A CB 0.061 18.955 19.000 -0.177 0.000 1.194 143 A HN 0.553 nan 8.150 nan 0.000 0.479 144 F N 1.947 121.693 119.950 -0.340 0.000 2.651 144 F HA 0.464 4.995 4.527 0.006 0.000 0.369 144 F C 1.017 176.681 175.800 -0.227 0.000 1.187 144 F CA 0.257 58.075 58.000 -0.304 0.000 1.335 144 F CB -0.705 38.125 39.000 -0.282 0.000 1.707 144 F HN 0.656 nan 8.300 nan 0.000 0.637 145 A N 1.666 124.469 122.820 -0.028 0.000 2.587 145 A HA 0.831 5.154 4.320 0.005 0.000 0.293 145 A C -2.955 174.611 177.584 -0.031 0.000 1.087 145 A CA -1.579 50.422 52.037 -0.061 0.000 0.692 145 A CB 2.244 21.195 19.000 -0.081 0.000 1.291 145 A HN 0.020 nan 8.150 nan 0.000 0.407 146 P HA 0.390 nan 4.420 nan 0.000 0.285 146 P C -0.431 176.809 177.300 -0.099 0.000 1.269 146 P CA -0.521 62.552 63.100 -0.045 0.000 0.844 146 P CB 1.530 33.266 31.700 0.060 0.000 1.094 147 C N 4.666 123.873 119.300 -0.154 0.000 2.442 147 C HA 0.385 4.848 4.460 0.005 0.000 0.362 147 C C 1.548 176.471 174.990 -0.112 0.000 1.242 147 C CA -0.568 58.349 59.018 -0.169 0.000 1.741 147 C CB -2.498 25.148 27.740 -0.157 0.000 2.378 147 C HN 0.499 nan 8.230 nan 0.000 0.549 148 I N 4.092 124.613 120.570 -0.081 0.000 3.850 148 I HA 0.422 4.596 4.170 0.005 0.000 0.333 148 I C 0.952 177.088 176.117 0.032 0.000 1.511 148 I CA -0.314 60.963 61.300 -0.038 0.000 1.199 148 I CB -0.625 37.254 38.000 -0.201 0.000 1.217 148 I HN 0.635 nan 8.210 nan 0.000 0.423 149 A N 1.213 124.104 122.820 0.118 0.000 2.445 149 A HA 0.475 4.798 4.320 0.005 0.000 0.242 149 A C 0.224 177.929 177.584 0.200 0.000 1.075 149 A CA -0.056 52.113 52.037 0.220 0.000 0.777 149 A CB 0.560 19.796 19.000 0.393 0.000 1.013 149 A HN 0.293 nan 8.150 nan 0.000 0.493 150 V N 2.763 122.810 119.914 0.221 0.000 2.257 150 V HA 0.127 4.250 4.120 0.005 0.000 0.269 150 V C 0.362 176.571 176.094 0.192 0.000 1.040 150 V CA -0.691 61.717 62.300 0.179 0.000 0.813 150 V CB 0.266 32.154 31.823 0.110 0.000 1.065 150 V HN 0.994 nan 8.190 nan 0.000 0.457 151 c N 6.784 125.518 118.600 0.222 0.000 2.638 151 c HA 0.188 4.761 4.570 0.005 0.000 0.410 151 c C 1.715 175.903 174.090 0.164 0.000 1.404 151 c CA -0.061 56.418 56.329 0.251 0.000 1.651 151 c CB -0.615 42.120 42.510 0.376 0.000 2.495 151 c HN 0.868 nan 8.230 nan 0.000 0.606 152 R N 2.731 123.304 120.500 0.120 0.000 2.397 152 R HA 0.224 4.567 4.340 0.005 0.000 0.241 152 R C -0.337 176.025 176.300 0.104 0.000 0.914 152 R CA 0.086 56.249 56.100 0.105 0.000 1.071 152 R CB 0.213 30.571 30.300 0.097 0.000 1.116 152 R HN 0.761 nan 8.270 nan 0.000 0.524 153 D N 0.078 120.549 120.400 0.117 0.000 2.470 153 D HA 0.173 4.816 4.640 0.005 0.000 0.233 153 D C -2.302 174.099 176.300 0.167 0.000 1.372 153 D CA -1.755 52.311 54.000 0.110 0.000 0.994 153 D CB 2.330 43.162 40.800 0.053 0.000 1.377 153 D HN -0.258 nan 8.370 nan 0.000 0.586 154 P HA -0.114 nan 4.420 nan 0.000 0.218 154 P C 1.087 178.475 177.300 0.146 0.000 1.146 154 P CA 0.941 64.148 63.100 0.180 0.000 0.820 154 P CB 0.254 32.101 31.700 0.245 0.000 0.778 155 R N -2.743 117.814 120.500 0.094 0.000 2.293 155 R HA -0.100 4.243 4.340 0.005 0.000 0.219 155 R C 0.609 176.988 176.300 0.131 0.000 1.091 155 R CA 0.137 56.271 56.100 0.057 0.000 1.004 155 R CB -0.430 29.873 30.300 0.005 0.000 0.865 155 R HN 0.279 nan 8.270 nan 0.000 0.469 156 W N 1.040 122.324 121.300 -0.028 0.000 2.303 156 W HA 0.140 4.803 4.660 0.005 0.000 0.318 156 W C 1.134 177.632 176.519 -0.034 0.000 1.362 156 W CA -1.000 56.326 57.345 -0.032 0.000 1.234 156 W CB 0.504 29.955 29.460 -0.015 0.000 1.248 156 W HN 0.039 nan 8.180 nan 0.000 0.546 157 G N 5.008 113.691 108.800 -0.194 0.000 2.527 157 G HA2 -0.231 3.732 3.960 0.005 0.000 0.219 157 G HA3 -0.231 3.732 3.960 0.005 0.000 0.219 157 G C 1.215 175.799 174.900 -0.526 0.000 1.117 157 G CA 0.399 45.311 45.100 -0.314 0.000 0.759 157 G HN 0.583 nan 8.290 nan 0.000 0.556 158 R N -0.934 118.760 120.500 -1.342 0.000 2.432 158 R HA 0.187 4.530 4.340 0.005 0.000 0.260 158 R C 1.620 177.165 176.300 -1.259 0.000 0.935 158 R CA -0.222 54.941 56.100 -1.561 0.000 1.080 158 R CB -0.431 28.679 30.300 -1.983 0.000 1.155 158 R HN 0.273 nan 8.270 nan 0.000 0.531 159 c N 1.606 119.840 118.600 -0.611 0.000 2.410 159 c HA -0.166 4.407 4.570 0.005 0.000 0.281 159 c C 2.378 176.392 174.090 -0.126 0.000 1.318 159 c CA 0.918 57.185 56.329 -0.102 0.000 1.776 159 c CB -0.850 41.741 42.510 0.135 0.000 1.942 159 c HN 0.664 nan 8.230 nan 0.000 0.508 160 Y N 0.422 120.626 120.300 -0.160 0.000 2.571 160 Y HA 0.174 4.727 4.550 0.005 0.000 0.294 160 Y C 1.796 177.542 175.900 -0.256 0.000 1.141 160 Y CA 0.948 58.936 58.100 -0.187 0.000 1.308 160 Y CB -1.191 37.131 38.460 -0.230 0.000 1.002 160 Y HN 0.358 nan 8.280 nan 0.000 0.551 161 E N 0.421 120.309 120.200 -0.521 0.000 2.479 161 E HA 0.062 4.415 4.350 0.005 0.000 0.193 161 E C 0.076 176.486 176.600 -0.316 0.000 1.049 161 E CA 0.168 56.329 56.400 -0.398 0.000 0.870 161 E CB 0.284 29.695 29.700 -0.481 0.000 0.944 161 E HN 0.254 nan 8.360 nan 0.000 0.492 162 S N -0.426 115.146 115.700 -0.215 0.000 2.437 162 S HA 0.164 4.637 4.470 0.005 0.000 0.305 162 S C 0.475 174.997 174.600 -0.130 0.000 1.109 162 S CA -0.636 57.493 58.200 -0.119 0.000 1.099 162 S CB 0.468 63.720 63.200 0.087 0.000 1.004 162 S HN 0.065 nan 8.310 nan 0.000 0.475 163 Y N 3.354 123.641 120.300 -0.021 0.000 2.274 163 Y HA 0.100 4.653 4.550 0.005 0.000 0.290 163 Y C 1.676 177.537 175.900 -0.065 0.000 1.145 163 Y CA 1.168 59.236 58.100 -0.054 0.000 1.203 163 Y CB -0.021 38.411 38.460 -0.046 0.000 0.984 163 Y HN 0.663 nan 8.280 nan 0.000 0.533 164 S N -1.796 113.980 115.700 0.128 0.000 2.643 164 S HA 0.166 4.640 4.470 0.005 0.000 0.266 164 S C -0.046 174.605 174.600 0.084 0.000 1.130 164 S CA -0.248 57.997 58.200 0.075 0.000 0.817 164 S CB 0.461 63.703 63.200 0.069 0.000 1.107 164 S HN 0.340 nan 8.310 nan 0.000 0.471 165 E N 0.419 120.665 120.200 0.077 0.000 2.474 165 E HA 0.169 4.522 4.350 0.005 0.000 0.194 165 E C -0.318 176.308 176.600 0.042 0.000 1.041 165 E CA -0.141 56.305 56.400 0.077 0.000 0.874 165 E CB 0.102 29.861 29.700 0.097 0.000 0.914 165 E HN 0.367 nan 8.360 nan 0.000 0.498 166 D N 1.372 121.795 120.400 0.039 0.000 2.427 166 D HA 0.062 4.705 4.640 0.005 0.000 0.226 166 D C 0.908 177.213 176.300 0.009 0.000 1.076 166 D CA -0.551 53.457 54.000 0.014 0.000 0.849 166 D CB 1.082 41.893 40.800 0.020 0.000 1.052 166 D HN 0.078 nan 8.370 nan 0.000 0.515 167 R N 3.778 124.270 120.500 -0.013 0.000 2.119 167 R HA -0.185 4.158 4.340 0.005 0.000 0.246 167 R C 1.775 178.069 176.300 -0.010 0.000 1.146 167 R CA 1.323 57.416 56.100 -0.013 0.000 0.962 167 R CB -0.585 29.693 30.300 -0.037 0.000 0.863 167 R HN 0.309 nan 8.270 nan 0.000 0.442 168 R N 0.350 120.842 120.500 -0.014 0.000 2.117 168 R HA -0.066 4.277 4.340 0.005 0.000 0.243 168 R C 2.314 178.600 176.300 -0.024 0.000 1.143 168 R CA 2.004 58.094 56.100 -0.016 0.000 0.968 168 R CB -0.524 29.768 30.300 -0.013 0.000 0.863 168 R HN 0.336 nan 8.270 nan 0.000 0.444 169 I N -0.218 120.343 120.570 -0.016 0.000 2.333 169 I HA -0.197 3.976 4.170 0.005 0.000 0.246 169 I C 2.128 178.205 176.117 -0.067 0.000 1.106 169 I CA 0.827 62.108 61.300 -0.032 0.000 1.411 169 I CB -0.125 37.873 38.000 -0.002 0.000 1.082 169 I HN -0.035 nan 8.210 nan 0.000 0.420 170 V N 0.743 120.651 119.914 -0.010 0.000 2.407 170 V HA -0.288 3.835 4.120 0.005 0.000 0.248 170 V C 2.410 178.461 176.094 -0.071 0.000 1.055 170 V CA 1.734 64.045 62.300 0.017 0.000 1.049 170 V CB -0.805 31.081 31.823 0.104 0.000 0.662 170 V HN 0.483 nan 8.190 nan 0.000 0.455 171 Q N 0.572 120.338 119.800 -0.057 0.000 2.050 171 Q HA -0.204 4.139 4.340 0.005 0.000 0.202 171 Q C 2.547 178.488 176.000 -0.099 0.000 0.980 171 Q CA 2.152 57.916 55.803 -0.064 0.000 0.840 171 Q CB -0.426 28.290 28.738 -0.037 0.000 0.898 171 Q HN 0.799 nan 8.270 nan 0.000 0.424 172 S N 0.460 116.095 115.700 -0.109 0.000 2.382 172 S HA -0.113 4.361 4.470 0.005 0.000 0.228 172 S C 1.840 176.320 174.600 -0.199 0.000 1.027 172 S CA 0.953 59.080 58.200 -0.122 0.000 0.991 172 S CB -0.121 63.020 63.200 -0.099 0.000 0.823 172 S HN 0.203 nan 8.310 nan 0.000 0.469 173 M N 2.848 122.241 119.600 -0.345 0.000 2.686 173 M HA 0.062 4.545 4.480 0.005 0.000 0.246 173 M C 1.804 177.842 176.300 -0.437 0.000 1.096 173 M CA 1.118 56.057 55.300 -0.601 0.000 1.076 173 M CB -1.752 29.961 32.600 -1.479 0.000 1.504 173 M HN 0.712 nan 8.290 nan 0.000 0.524 174 T N -2.935 111.479 114.554 -0.234 0.000 3.163 174 T HA -0.000 4.353 4.350 0.005 0.000 0.260 174 T C 1.299 175.938 174.700 -0.101 0.000 1.156 174 T CA 0.451 62.475 62.100 -0.125 0.000 1.072 174 T CB -0.147 68.667 68.868 -0.091 0.000 0.937 174 T HN 0.216 nan 8.240 nan 0.000 0.528 175 E N 0.625 120.750 120.200 -0.124 0.000 2.409 175 E HA 0.011 4.364 4.350 0.005 0.000 0.198 175 E C 1.777 178.325 176.600 -0.086 0.000 1.024 175 E CA 0.220 56.568 56.400 -0.087 0.000 0.861 175 E CB -0.252 29.403 29.700 -0.076 0.000 0.788 175 E HN 0.496 nan 8.360 nan 0.000 0.521 176 L N 0.628 121.795 121.223 -0.094 0.000 2.083 176 L HA -0.150 4.193 4.340 0.005 0.000 0.209 176 L C 2.072 178.905 176.870 -0.062 0.000 1.083 176 L CA 1.182 55.974 54.840 -0.079 0.000 0.752 176 L CB -0.208 41.836 42.059 -0.026 0.000 0.899 176 L HN 0.051 nan 8.230 nan 0.000 0.433 177 I N -0.117 120.427 120.570 -0.043 0.000 2.127 177 I HA -0.241 3.932 4.170 0.005 0.000 0.241 177 I C -0.354 175.751 176.117 -0.020 0.000 1.075 177 I CA 1.464 62.749 61.300 -0.024 0.000 1.334 177 I CB -1.632 36.359 38.000 -0.015 0.000 1.040 177 I HN 0.249 nan 8.210 nan 0.000 0.405 178 P HA -0.102 nan 4.420 nan 0.000 0.220 178 P C 1.510 178.799 177.300 -0.019 0.000 1.148 178 P CA 1.473 64.561 63.100 -0.021 0.000 0.803 178 P CB -0.172 31.505 31.700 -0.040 0.000 0.782 179 G N -0.225 108.545 108.800 -0.050 0.000 2.414 179 G HA2 -0.188 3.775 3.960 0.005 0.000 0.215 179 G HA3 -0.188 3.775 3.960 0.005 0.000 0.215 179 G C 1.450 176.306 174.900 -0.073 0.000 1.188 179 G CA 0.443 45.497 45.100 -0.078 0.000 0.783 179 G HN 0.210 nan 8.290 nan 0.000 0.537 180 L N -0.219 120.963 121.223 -0.068 0.000 2.056 180 L HA -0.063 4.280 4.340 0.005 0.000 0.207 180 L C 3.077 179.926 176.870 -0.035 0.000 1.078 180 L CA 1.250 56.054 54.840 -0.061 0.000 0.749 180 L CB -0.276 41.751 42.059 -0.052 0.000 0.901 180 L HN 0.280 nan 8.230 nan 0.000 0.433 181 Q N -0.669 119.126 119.800 -0.009 0.000 2.391 181 Q HA 0.249 4.592 4.340 0.005 0.000 0.211 181 Q C 0.640 176.667 176.000 0.044 0.000 0.908 181 Q CA 0.465 56.268 55.803 0.001 0.000 0.920 181 Q CB 0.851 29.614 28.738 0.042 0.000 1.056 181 Q HN 0.475 nan 8.270 nan 0.000 0.523 182 G N 1.626 110.473 108.800 0.077 0.000 2.650 182 G HA2 -0.133 3.831 3.960 0.005 0.000 0.686 182 G HA3 -0.133 3.831 3.960 0.005 0.000 0.686 182 G C -1.407 173.599 174.900 0.177 0.000 1.205 182 G CA -0.871 44.306 45.100 0.129 0.000 0.781 182 G HN 0.056 nan 8.290 nan 0.000 0.648 183 D N -0.053 120.385 120.400 0.065 0.000 2.414 183 D HA 0.342 4.985 4.640 0.005 0.000 0.242 183 D C 1.376 177.466 176.300 -0.349 0.000 1.129 183 D CA 0.724 54.668 54.000 -0.094 0.000 0.885 183 D CB 1.640 42.392 40.800 -0.080 0.000 1.198 183 D HN 1.076 nan 8.370 nan 0.000 0.437 184 V N 0.169 119.672 119.914 -0.684 0.000 2.834 184 V HA 0.422 4.545 4.120 0.005 0.000 0.301 184 V C -2.265 173.411 176.094 -0.698 0.000 1.066 184 V CA -1.542 59.966 62.300 -1.320 0.000 1.052 184 V CB 0.395 31.231 31.823 -1.645 0.000 1.021 184 V HN 0.321 nan 8.190 nan 0.000 0.480 185 P HA 0.137 nan 4.420 nan 0.000 0.269 185 P C 0.531 177.780 177.300 -0.085 0.000 1.217 185 P CA -0.172 62.812 63.100 -0.193 0.000 0.783 185 P CB 0.425 32.085 31.700 -0.068 0.000 0.898 186 K N 1.204 121.581 120.400 -0.039 0.000 2.211 186 K HA -0.170 4.153 4.320 0.005 0.000 0.203 186 K C 1.031 177.646 176.600 0.025 0.000 1.050 186 K CA 1.843 58.123 56.287 -0.011 0.000 0.945 186 K CB -0.176 32.316 32.500 -0.013 0.000 0.732 186 K HN 0.527 nan 8.250 nan 0.000 0.451 187 D N -0.316 120.107 120.400 0.038 0.000 2.120 187 D HA -0.184 4.459 4.640 0.005 0.000 0.202 187 D C 0.429 176.769 176.300 0.068 0.000 0.972 187 D CA -0.028 53.995 54.000 0.039 0.000 0.837 187 D CB -0.534 40.283 40.800 0.028 0.000 0.989 187 D HN 0.075 nan 8.370 nan 0.000 0.469 188 F N 1.722 121.625 119.950 -0.079 0.000 2.023 188 F HA -0.178 4.352 4.527 0.005 0.000 0.436 188 F C -0.123 175.645 175.800 -0.053 0.000 0.764 188 F CA 0.428 58.377 58.000 -0.085 0.000 1.010 188 F CB 0.011 38.921 39.000 -0.151 0.000 0.809 188 F HN -0.097 nan 8.300 nan 0.000 0.537 189 T N 6.604 120.691 114.554 -0.779 0.000 2.771 189 T HA 0.224 4.577 4.350 0.005 0.000 0.291 189 T C -0.006 174.260 174.700 -0.724 0.000 0.954 189 T CA -0.249 61.521 62.100 -0.549 0.000 1.045 189 T CB 1.117 69.759 68.868 -0.377 0.000 0.917 189 T HN 0.778 nan 8.240 nan 0.000 0.484 190 S N 2.541 118.063 115.700 -0.297 0.000 2.546 190 S HA 0.375 4.848 4.470 0.005 0.000 0.290 190 S C 1.536 176.068 174.600 -0.114 0.000 1.290 190 S CA 0.975 59.108 58.200 -0.113 0.000 1.069 190 S CB -0.404 62.793 63.200 -0.006 0.000 0.846 190 S HN 1.166 nan 8.310 nan 0.000 0.495 191 G N 4.294 113.100 108.800 0.010 0.000 2.259 191 G HA2 -0.183 3.781 3.960 0.005 0.000 0.217 191 G HA3 -0.183 3.781 3.960 0.005 0.000 0.217 191 G C 0.201 175.128 174.900 0.045 0.000 1.001 191 G CA 0.036 45.182 45.100 0.076 0.000 0.627 191 G HN 0.623 nan 8.290 nan 0.000 0.501 192 M N 1.642 121.175 119.600 -0.112 0.000 2.241 192 M HA 0.388 4.871 4.480 0.005 0.000 0.335 192 M C -2.293 174.184 176.300 0.294 0.000 1.122 192 M CA -2.020 53.253 55.300 -0.046 0.000 1.164 192 M CB 0.164 32.607 32.600 -0.261 0.000 1.459 192 M HN -0.005 nan 8.290 nan 0.000 0.461 193 P HA 0.465 nan 4.420 nan 0.000 0.281 193 P C -1.363 176.178 177.300 0.403 0.000 1.249 193 P CA -0.268 62.986 63.100 0.256 0.000 0.810 193 P CB 0.767 32.518 31.700 0.085 0.000 1.008 194 F N 1.366 121.385 119.950 0.115 0.000 2.650 194 F HA 0.565 5.094 4.527 0.004 0.000 0.310 194 F C -1.947 173.845 175.800 -0.014 0.000 1.112 194 F CA -0.568 57.456 58.000 0.040 0.000 0.986 194 F CB 1.493 40.423 39.000 -0.116 0.000 1.285 194 F HN 0.042 nan 8.300 nan 0.000 0.440 195 V N 5.704 124.972 119.914 -1.076 0.000 2.737 195 V HA 0.453 4.577 4.120 0.005 0.000 0.298 195 V C 0.413 175.934 176.094 -0.955 0.000 1.163 195 V CA -0.200 61.661 62.300 -0.731 0.000 0.925 195 V CB 1.062 32.698 31.823 -0.312 0.000 1.037 195 V HN 1.070 nan 8.190 nan 0.000 0.433 196 A N 3.350 125.772 122.820 -0.664 0.000 1.883 196 A HA 0.434 4.758 4.320 0.005 0.000 0.217 196 A C 1.243 178.720 177.584 -0.178 0.000 1.186 196 A CA 2.133 53.978 52.037 -0.319 0.000 0.624 196 A CB -0.292 18.689 19.000 -0.031 0.000 0.822 196 A HN 1.789 nan 8.150 nan 0.000 0.444 197 G N -2.054 106.666 108.800 -0.134 0.000 2.364 197 G HA2 0.330 4.293 3.960 0.005 0.000 0.286 197 G HA3 0.330 4.293 3.960 0.005 0.000 0.286 197 G C 0.253 175.127 174.900 -0.044 0.000 1.241 197 G CA 0.100 45.160 45.100 -0.067 0.000 0.887 197 G HN 0.348 nan 8.290 nan 0.000 0.484 198 K N -0.495 119.896 120.400 -0.014 0.000 2.515 198 K HA 0.027 4.350 4.320 0.005 0.000 0.196 198 K C 0.847 177.445 176.600 -0.004 0.000 1.038 198 K CA 1.598 57.883 56.287 -0.003 0.000 0.967 198 K CB -0.128 32.381 32.500 0.015 0.000 0.780 198 K HN 0.313 nan 8.250 nan 0.000 0.483 199 N N 0.043 118.738 118.700 -0.009 0.000 2.203 199 N HA 0.070 4.813 4.740 0.005 0.000 0.207 199 N C -0.646 174.852 175.510 -0.020 0.000 1.130 199 N CA -0.177 52.869 53.050 -0.007 0.000 0.861 199 N CB 0.498 38.987 38.487 0.003 0.000 1.005 199 N HN 0.003 nan 8.380 nan 0.000 0.507 200 K N 0.674 121.054 120.400 -0.033 0.000 2.395 200 K HA 0.556 4.879 4.320 0.005 0.000 0.245 200 K C -0.611 175.963 176.600 -0.043 0.000 1.017 200 K CA -0.821 55.439 56.287 -0.045 0.000 0.852 200 K CB 2.134 34.596 32.500 -0.063 0.000 1.311 200 K HN -0.144 nan 8.250 nan 0.000 0.452 201 V N -2.497 117.394 119.914 -0.038 0.000 3.001 201 V HA 0.843 4.966 4.120 0.005 0.000 0.314 201 V C -0.328 175.761 176.094 -0.008 0.000 1.099 201 V CA -1.272 61.019 62.300 -0.014 0.000 0.989 201 V CB 1.636 33.459 31.823 -0.001 0.000 1.040 201 V HN 0.784 nan 8.190 nan 0.000 0.434 202 A N 1.805 124.636 122.820 0.018 0.000 2.388 202 A HA 0.866 5.189 4.320 0.005 0.000 0.257 202 A C 0.505 178.168 177.584 0.132 0.000 1.095 202 A CA 0.287 52.321 52.037 -0.005 0.000 0.791 202 A CB 0.269 19.163 19.000 -0.177 0.000 1.029 202 A HN 2.184 nan 8.150 nan 0.000 0.489 203 A N 0.485 123.359 122.820 0.089 0.000 2.326 203 A HA 0.710 5.034 4.320 0.005 0.000 0.303 203 A C -0.239 177.456 177.584 0.186 0.000 1.164 203 A CA -0.100 52.006 52.037 0.115 0.000 0.929 203 A CB 0.777 19.805 19.000 0.045 0.000 1.363 203 A HN 1.976 nan 8.150 nan 0.000 0.498 204 C N -0.011 119.369 119.300 0.135 0.000 2.833 204 C HA 0.654 5.117 4.460 0.005 0.000 0.383 204 C C 0.034 175.045 174.990 0.034 0.000 1.058 204 C CA -0.039 59.064 59.018 0.142 0.000 1.259 204 C CB -0.353 27.558 27.740 0.286 0.000 1.726 204 C HN 1.370 nan 8.230 nan 0.000 0.484 205 A N 6.420 129.242 122.820 0.003 0.000 2.354 205 A HA 0.669 4.992 4.320 0.005 0.000 0.281 205 A C -0.085 177.527 177.584 0.047 0.000 1.174 205 A CA -0.003 52.013 52.037 -0.035 0.000 0.828 205 A CB 0.175 19.134 19.000 -0.069 0.000 1.099 205 A HN 0.954 nan 8.150 nan 0.000 0.516 206 K N 2.287 122.645 120.400 -0.070 0.000 2.482 206 K HA 0.661 4.984 4.320 0.005 0.000 0.257 206 K C -1.663 174.868 176.600 -0.114 0.000 0.969 206 K CA -0.935 55.255 56.287 -0.162 0.000 0.842 206 K CB 1.317 33.437 32.500 -0.634 0.000 1.359 206 K HN 0.644 nan 8.250 nan 0.000 0.441 207 H N 0.945 120.153 119.070 0.231 0.000 2.638 207 H HA 0.268 4.828 4.556 0.006 0.000 0.317 207 H C -1.424 174.027 175.328 0.205 0.000 1.006 207 H CA -0.610 55.551 56.048 0.188 0.000 1.222 207 H CB 0.692 30.518 29.762 0.107 0.000 1.419 207 H HN 0.484 nan 8.280 nan 0.000 0.489 208 F N 4.453 124.451 119.950 0.081 0.000 2.557 208 F HA 0.276 4.806 4.527 0.006 0.000 0.384 208 F C -0.262 175.440 175.800 -0.163 0.000 1.057 208 F CA 0.330 58.194 58.000 -0.227 0.000 1.169 208 F CB -0.048 38.695 39.000 -0.429 0.000 1.070 208 F HN 0.337 nan 8.300 nan 0.000 0.554 209 V N 5.513 125.080 119.914 -0.579 0.000 3.087 209 V HA 0.653 4.776 4.120 0.005 0.000 0.306 209 V C 0.116 175.928 176.094 -0.470 0.000 1.187 209 V CA -0.006 61.879 62.300 -0.692 0.000 0.999 209 V CB 1.734 32.677 31.823 -1.466 0.000 1.049 209 V HN 1.072 nan 8.190 nan 0.000 0.431 210 G N 3.916 112.489 108.800 -0.378 0.000 2.143 210 G HA2 -0.222 3.742 3.960 0.005 0.000 0.248 210 G HA3 -0.222 3.742 3.960 0.005 0.000 0.248 210 G C 0.397 174.977 174.900 -0.533 0.000 0.991 210 G CA 0.784 45.462 45.100 -0.702 0.000 0.689 210 G HN 1.236 nan 8.290 nan 0.000 0.522 211 D N 0.277 120.516 120.400 -0.268 0.000 2.265 211 D HA -0.012 4.631 4.640 0.005 0.000 0.208 211 D C 1.915 177.829 176.300 -0.643 0.000 0.977 211 D CA 1.355 55.205 54.000 -0.249 0.000 0.871 211 D CB -0.896 39.943 40.800 0.064 0.000 0.925 211 D HN 0.807 nan 8.370 nan 0.000 0.485 212 G N -0.399 108.095 108.800 -0.509 0.000 3.314 212 G HA2 0.340 4.303 3.960 0.005 0.000 0.238 212 G HA3 0.340 4.303 3.960 0.005 0.000 0.238 212 G C 0.972 175.628 174.900 -0.408 0.000 1.184 212 G CA 0.038 44.757 45.100 -0.635 0.000 0.806 212 G HN 0.439 nan 8.290 nan 0.000 0.536 213 G N 0.576 109.090 108.800 -0.477 0.000 4.100 213 G HA2 0.336 4.299 3.960 0.005 0.000 0.294 213 G HA3 0.336 4.299 3.960 0.005 0.000 0.294 213 G C 0.630 175.381 174.900 -0.248 0.000 1.040 213 G CA 0.277 45.224 45.100 -0.254 0.000 0.829 213 G HN 0.403 nan 8.290 nan 0.000 0.505 214 T N -1.580 112.763 114.554 -0.352 0.000 2.898 214 T HA 0.403 4.756 4.350 0.005 0.000 0.301 214 T C 0.683 175.293 174.700 -0.149 0.000 1.049 214 T CA -0.407 61.551 62.100 -0.237 0.000 1.095 214 T CB 2.071 70.773 68.868 -0.276 0.000 0.976 214 T HN 0.552 nan 8.240 nan 0.000 0.539 215 V N 2.549 122.411 119.914 -0.087 0.000 2.655 215 V HA 0.167 4.290 4.120 0.005 0.000 0.300 215 V C 0.283 176.348 176.094 -0.048 0.000 1.044 215 V CA 0.385 62.653 62.300 -0.053 0.000 1.095 215 V CB -0.893 30.908 31.823 -0.036 0.000 0.952 215 V HN 1.048 nan 8.190 nan 0.000 0.485 216 D N 3.701 124.081 120.400 -0.034 0.000 3.070 216 D HA -0.204 4.439 4.640 0.005 0.000 0.220 216 D C 1.122 177.416 176.300 -0.011 0.000 1.176 216 D CA 1.998 55.983 54.000 -0.024 0.000 0.924 216 D CB -1.537 39.249 40.800 -0.023 0.000 1.124 216 D HN 1.924 nan 8.370 nan 0.000 0.411 217 G N -0.220 108.558 108.800 -0.036 0.000 2.198 217 G HA2 -0.344 3.619 3.960 0.005 0.000 0.260 217 G HA3 -0.344 3.619 3.960 0.005 0.000 0.260 217 G C 0.360 175.288 174.900 0.048 0.000 1.025 217 G CA 0.286 45.375 45.100 -0.019 0.000 0.769 217 G HN 0.584 nan 8.290 nan 0.000 0.507 218 I N 0.828 121.396 120.570 -0.004 0.000 2.533 218 I HA 0.048 4.222 4.170 0.005 0.000 0.284 218 I C 1.202 177.359 176.117 0.067 0.000 1.109 218 I CA -0.264 61.064 61.300 0.047 0.000 1.412 218 I CB 0.545 38.550 38.000 0.009 0.000 1.396 218 I HN 0.295 nan 8.210 nan 0.000 0.543 219 N N 6.035 124.873 118.700 0.230 0.000 2.407 219 N HA -0.071 4.672 4.740 0.005 0.000 0.250 219 N C 0.290 175.900 175.510 0.167 0.000 1.236 219 N CA 0.164 53.421 53.050 0.346 0.000 0.879 219 N CB 0.424 39.126 38.487 0.359 0.000 1.088 219 N HN 0.691 nan 8.380 nan 0.000 0.450 220 E N -1.081 119.231 120.200 0.187 0.000 3.547 220 E HA -0.359 3.994 4.350 0.005 0.000 0.300 220 E C -0.106 176.536 176.600 0.070 0.000 0.857 220 E CA 0.478 56.967 56.400 0.147 0.000 1.039 220 E CB -1.236 28.508 29.700 0.074 0.000 1.524 220 E HN 0.669 nan 8.360 nan 0.000 0.457 221 N N 0.620 119.330 118.700 0.016 0.000 2.383 221 N HA 0.080 4.823 4.740 0.005 0.000 0.288 221 N C 0.032 175.533 175.510 -0.015 0.000 1.320 221 N CA -0.272 52.776 53.050 -0.004 0.000 0.941 221 N CB 0.407 38.881 38.487 -0.022 0.000 1.078 221 N HN -0.034 nan 8.380 nan 0.000 0.509 222 N N -0.472 118.214 118.700 -0.023 0.000 2.438 222 N HA 0.184 4.927 4.740 0.005 0.000 0.282 222 N C -1.654 173.836 175.510 -0.033 0.000 1.037 222 N CA 0.066 53.107 53.050 -0.016 0.000 0.942 222 N CB 0.956 39.436 38.487 -0.013 0.000 1.136 222 N HN 0.209 nan 8.380 nan 0.000 0.481 223 T N 4.455 119.006 114.554 -0.006 0.000 2.781 223 T HA 0.406 4.759 4.350 0.005 0.000 0.305 223 T C 0.303 175.063 174.700 0.101 0.000 1.001 223 T CA -0.346 61.754 62.100 -0.001 0.000 0.950 223 T CB -0.211 68.620 68.868 -0.063 0.000 0.955 223 T HN 0.359 nan 8.240 nan 0.000 0.471 224 I N 5.325 125.926 120.570 0.052 0.000 2.287 224 I HA 0.550 4.724 4.170 0.005 0.000 0.290 224 I C -0.198 175.975 176.117 0.093 0.000 1.069 224 I CA -0.364 60.963 61.300 0.045 0.000 1.237 224 I CB 0.439 38.437 38.000 -0.004 0.000 1.418 224 I HN 0.514 nan 8.210 nan 0.000 0.481 225 I N 5.853 126.529 120.570 0.177 0.000 2.785 225 I HA 0.249 4.422 4.170 0.005 0.000 0.293 225 I C -0.971 175.317 176.117 0.285 0.000 1.446 225 I CA -0.683 60.739 61.300 0.203 0.000 1.028 225 I CB 2.035 40.171 38.000 0.226 0.000 1.349 225 I HN 0.604 nan 8.210 nan 0.000 0.438 226 N N 5.566 124.371 118.700 0.175 0.000 2.326 226 N HA 0.068 4.811 4.740 0.005 0.000 0.239 226 N C 0.730 176.421 175.510 0.303 0.000 1.301 226 N CA -0.198 52.958 53.050 0.176 0.000 0.909 226 N CB 0.389 38.928 38.487 0.088 0.000 1.156 226 N HN 0.671 nan 8.380 nan 0.000 0.462 227 R N -0.459 120.237 120.500 0.327 0.000 2.152 227 R HA -0.130 4.213 4.340 0.005 0.000 0.232 227 R C 0.909 177.259 176.300 0.083 0.000 1.117 227 R CA 1.110 57.396 56.100 0.309 0.000 0.981 227 R CB -0.035 30.431 30.300 0.277 0.000 0.870 227 R HN 0.629 nan 8.270 nan 0.000 0.451 228 E N -0.436 119.807 120.200 0.072 0.000 2.051 228 E HA -0.133 4.220 4.350 0.005 0.000 0.192 228 E C 1.918 178.520 176.600 0.003 0.000 0.991 228 E CA 1.500 57.916 56.400 0.025 0.000 0.799 228 E CB -0.410 29.306 29.700 0.027 0.000 0.748 228 E HN 0.574 nan 8.360 nan 0.000 0.449 229 G N 2.058 110.874 108.800 0.027 0.000 2.408 229 G HA2 -0.183 3.780 3.960 0.005 0.000 0.217 229 G HA3 -0.183 3.780 3.960 0.005 0.000 0.217 229 G C 1.543 176.427 174.900 -0.027 0.000 1.150 229 G CA 0.240 45.341 45.100 0.002 0.000 0.776 229 G HN 0.165 nan 8.290 nan 0.000 0.542 230 L N 0.328 121.541 121.223 -0.017 0.000 2.042 230 L HA -0.010 4.333 4.340 0.005 0.000 0.210 230 L C 2.486 179.256 176.870 -0.166 0.000 1.076 230 L CA 1.745 56.511 54.840 -0.123 0.000 0.749 230 L CB -0.461 41.286 42.059 -0.520 0.000 0.893 230 L HN 0.188 nan 8.230 nan 0.000 0.432 231 M N -0.975 118.528 119.600 -0.163 0.000 2.388 231 M HA -0.079 4.404 4.480 0.005 0.000 0.265 231 M C 1.833 178.096 176.300 -0.061 0.000 1.088 231 M CA 0.992 56.215 55.300 -0.128 0.000 1.134 231 M CB -1.408 31.115 32.600 -0.129 0.000 1.384 231 M HN 0.340 nan 8.290 nan 0.000 0.447 232 N N 0.830 119.491 118.700 -0.066 0.000 2.333 232 N HA 0.050 4.793 4.740 0.005 0.000 0.178 232 N C 1.380 176.835 175.510 -0.092 0.000 1.018 232 N CA 0.960 53.976 53.050 -0.057 0.000 0.882 232 N CB 0.323 38.781 38.487 -0.048 0.000 0.984 232 N HN 0.309 nan 8.380 nan 0.000 0.434 233 I N -1.663 118.803 120.570 -0.173 0.000 3.132 233 I HA 0.049 4.223 4.170 0.005 0.000 0.255 233 I C 1.161 177.088 176.117 -0.317 0.000 1.118 233 I CA 0.347 61.464 61.300 -0.305 0.000 1.463 233 I CB -0.149 37.524 38.000 -0.545 0.000 1.356 233 I HN 0.107 nan 8.210 nan 0.000 0.463 234 H N -0.489 118.550 119.070 -0.051 0.000 2.544 234 H HA 0.097 4.656 4.556 0.005 0.000 0.269 234 H C 1.770 177.129 175.328 0.051 0.000 0.970 234 H CA 0.637 56.667 56.048 -0.030 0.000 1.219 234 H CB 0.356 30.048 29.762 -0.117 0.000 1.421 234 H HN 0.159 nan 8.280 nan 0.000 0.555 235 M N 0.605 120.271 119.600 0.111 0.000 2.357 235 M HA 0.141 4.624 4.480 0.005 0.000 0.266 235 M C -1.230 175.224 176.300 0.256 0.000 1.095 235 M CA 0.093 55.512 55.300 0.199 0.000 1.156 235 M CB -0.190 32.446 32.600 0.060 0.000 1.365 235 M HN -0.047 nan 8.290 nan 0.000 0.447 236 P HA -0.271 nan 4.420 nan 0.000 0.219 236 P C 1.200 178.555 177.300 0.092 0.000 1.159 236 P CA 2.769 65.928 63.100 0.099 0.000 0.944 236 P CB -0.369 31.355 31.700 0.040 0.000 0.792 237 A N -2.079 120.762 122.820 0.036 0.000 1.997 237 A HA -0.282 4.041 4.320 0.005 0.000 0.221 237 A C 2.125 179.654 177.584 -0.092 0.000 1.172 237 A CA 1.941 53.943 52.037 -0.058 0.000 0.645 237 A CB -2.016 16.906 19.000 -0.130 0.000 0.813 237 A HN 0.207 nan 8.150 nan 0.000 0.454 238 Y N -0.280 120.063 120.300 0.071 0.000 2.224 238 Y HA -0.189 4.364 4.550 0.005 0.000 0.289 238 Y C 2.425 178.346 175.900 0.034 0.000 1.146 238 Y CA 1.911 60.047 58.100 0.061 0.000 1.182 238 Y CB -0.220 38.329 38.460 0.149 0.000 0.983 238 Y HN 0.345 nan 8.280 nan 0.000 0.524 239 K N 0.836 121.351 120.400 0.191 0.000 2.097 239 K HA -0.146 4.178 4.320 0.005 0.000 0.205 239 K C 1.297 177.941 176.600 0.073 0.000 1.050 239 K CA 1.876 58.233 56.287 0.117 0.000 0.938 239 K CB -0.390 32.175 32.500 0.108 0.000 0.718 239 K HN 0.292 nan 8.250 nan 0.000 0.442 240 N N 0.246 118.973 118.700 0.046 0.000 2.142 240 N HA -0.064 4.679 4.740 0.005 0.000 0.186 240 N C 1.597 177.120 175.510 0.022 0.000 1.023 240 N CA 1.395 54.457 53.050 0.020 0.000 0.852 240 N CB -0.365 38.114 38.487 -0.012 0.000 0.998 240 N HN 0.306 nan 8.380 nan 0.000 0.424 241 A N 0.868 123.691 122.820 0.006 0.000 1.933 241 A HA -0.124 4.199 4.320 0.005 0.000 0.218 241 A C 2.028 179.658 177.584 0.077 0.000 1.175 241 A CA 1.189 53.232 52.037 0.009 0.000 0.628 241 A CB -0.369 18.605 19.000 -0.043 0.000 0.814 241 A HN 0.113 nan 8.150 nan 0.000 0.444 242 M N 0.014 119.672 119.600 0.095 0.000 2.099 242 M HA -0.119 4.364 4.480 0.005 0.000 0.262 242 M C 1.392 177.809 176.300 0.195 0.000 1.067 242 M CA 1.449 56.838 55.300 0.148 0.000 1.124 242 M CB -1.558 31.105 32.600 0.105 0.000 1.353 242 M HN 0.328 nan 8.290 nan 0.000 0.410 243 D N 0.646 121.131 120.400 0.141 0.000 2.218 243 D HA -0.116 4.527 4.640 0.005 0.000 0.204 243 D C 1.417 177.832 176.300 0.193 0.000 0.976 243 D CA 1.120 55.218 54.000 0.163 0.000 0.853 243 D CB -0.176 40.675 40.800 0.086 0.000 0.939 243 D HN 0.408 nan 8.370 nan 0.000 0.481 244 K N -0.410 120.057 120.400 0.112 0.000 2.410 244 K HA 0.259 4.582 4.320 0.005 0.000 0.200 244 K C 0.827 177.414 176.600 -0.021 0.000 1.023 244 K CA 0.213 56.499 56.287 -0.002 0.000 1.149 244 K CB 0.884 33.371 32.500 -0.022 0.000 0.859 244 K HN 0.042 nan 8.250 nan 0.000 0.514 245 G N 2.041 110.968 108.800 0.210 0.000 2.246 245 G HA2 -0.254 3.710 3.960 0.005 0.000 0.273 245 G HA3 -0.254 3.710 3.960 0.005 0.000 0.273 245 G C 0.131 175.178 174.900 0.245 0.000 1.055 245 G CA 0.243 45.542 45.100 0.331 0.000 0.851 245 G HN 0.273 nan 8.290 nan 0.000 0.500 246 V N 0.326 120.350 119.914 0.183 0.000 2.644 246 V HA 0.278 4.401 4.120 0.005 0.000 0.305 246 V C 1.647 177.865 176.094 0.208 0.000 1.053 246 V CA 1.487 63.867 62.300 0.133 0.000 1.186 246 V CB 0.971 32.830 31.823 0.060 0.000 0.895 246 V HN 0.528 nan 8.190 nan 0.000 0.490 247 S N 3.617 119.385 115.700 0.113 0.000 2.406 247 S HA 0.001 4.474 4.470 0.005 0.000 0.228 247 S C 0.702 175.295 174.600 -0.013 0.000 1.020 247 S CA 1.117 59.340 58.200 0.038 0.000 0.965 247 S CB -0.107 63.028 63.200 -0.108 0.000 0.798 247 S HN 1.083 nan 8.310 nan 0.000 0.488 248 T N -1.575 112.961 114.554 -0.030 0.000 2.865 248 T HA 0.727 5.080 4.350 0.005 0.000 0.294 248 T C -1.106 173.578 174.700 -0.025 0.000 1.119 248 T CA -0.782 61.276 62.100 -0.069 0.000 1.007 248 T CB 1.929 70.543 68.868 -0.423 0.000 1.225 248 T HN -0.161 nan 8.240 nan 0.000 0.515 249 V N 1.846 121.731 119.914 -0.048 0.000 2.686 249 V HA 0.545 4.669 4.120 0.005 0.000 0.306 249 V C -0.470 175.633 176.094 0.015 0.000 1.065 249 V CA -0.859 61.368 62.300 -0.120 0.000 0.894 249 V CB 1.835 33.378 31.823 -0.466 0.000 1.004 249 V HN 1.084 nan 8.190 nan 0.000 0.424 250 M N 5.394 125.023 119.600 0.047 0.000 2.264 250 M HA 0.578 5.062 4.480 0.005 0.000 0.352 250 M C -0.984 175.353 176.300 0.062 0.000 1.173 250 M CA -0.571 54.761 55.300 0.052 0.000 1.075 250 M CB 1.031 33.633 32.600 0.003 0.000 1.621 250 M HN 0.440 nan 8.290 nan 0.000 0.457 251 I N 2.653 123.215 120.570 -0.014 0.000 2.519 251 I HA 0.177 4.350 4.170 0.005 0.000 0.287 251 I C 0.517 176.579 176.117 -0.091 0.000 1.047 251 I CA 0.054 61.283 61.300 -0.118 0.000 1.381 251 I CB 1.194 38.913 38.000 -0.469 0.000 1.417 251 I HN 0.692 nan 8.210 nan 0.000 0.540 252 S N 3.821 119.520 115.700 -0.001 0.000 2.601 252 S HA 0.209 4.683 4.470 0.005 0.000 0.271 252 S C 0.866 175.575 174.600 0.181 0.000 1.305 252 S CA -0.121 58.121 58.200 0.071 0.000 1.022 252 S CB 0.501 63.752 63.200 0.086 0.000 0.940 252 S HN 0.360 nan 8.310 nan 0.000 0.525 253 Y N 2.419 122.858 120.300 0.232 0.000 2.373 253 Y HA 0.010 4.563 4.550 0.006 0.000 0.293 253 Y C 1.987 177.978 175.900 0.151 0.000 1.129 253 Y CA 0.842 59.074 58.100 0.220 0.000 1.226 253 Y CB -0.976 37.559 38.460 0.124 0.000 1.000 253 Y HN 0.694 nan 8.280 nan 0.000 0.549 254 S N -0.319 115.524 115.700 0.238 0.000 2.580 254 S HA 0.211 4.684 4.470 0.005 0.000 0.261 254 S C 0.293 174.956 174.600 0.105 0.000 1.366 254 S CA -0.596 57.671 58.200 0.111 0.000 0.996 254 S CB 0.925 64.120 63.200 -0.007 0.000 0.902 254 S HN 0.106 nan 8.310 nan 0.000 0.566 255 S N -0.024 115.720 115.700 0.073 0.000 2.600 255 S HA 0.573 5.046 4.470 0.005 0.000 0.300 255 S C -1.525 173.155 174.600 0.134 0.000 1.087 255 S CA -0.620 57.639 58.200 0.098 0.000 0.965 255 S CB 0.994 64.239 63.200 0.074 0.000 1.089 255 S HN 0.816 nan 8.310 nan 0.000 0.496 256 W N 3.117 124.375 121.300 -0.071 0.000 2.393 256 W HA 0.463 5.127 4.660 0.006 0.000 0.315 256 W C -0.431 176.051 176.519 -0.062 0.000 1.009 256 W CA -1.023 56.266 57.345 -0.094 0.000 1.313 256 W CB -0.470 28.916 29.460 -0.124 0.000 1.269 256 W HN 0.764 nan 8.180 nan 0.000 0.420 257 N N 4.217 122.774 118.700 -0.239 0.000 2.740 257 N HA -0.188 4.555 4.740 0.005 0.000 0.248 257 N C 0.976 176.358 175.510 -0.213 0.000 1.062 257 N CA 2.143 54.986 53.050 -0.345 0.000 0.704 257 N CB -1.290 36.777 38.487 -0.699 0.000 0.968 257 N HN 1.292 nan 8.380 nan 0.000 0.547 258 G N -2.812 105.930 108.800 -0.097 0.000 2.199 258 G HA2 -0.329 3.634 3.960 0.005 0.000 0.254 258 G HA3 -0.329 3.634 3.960 0.005 0.000 0.254 258 G C 0.019 174.908 174.900 -0.017 0.000 0.982 258 G CA 0.339 45.408 45.100 -0.053 0.000 0.632 258 G HN 0.501 nan 8.290 nan 0.000 0.529 259 V N 2.491 122.398 119.914 -0.012 0.000 2.394 259 V HA 0.435 4.558 4.120 0.005 0.000 0.282 259 V C 0.519 176.673 176.094 0.100 0.000 1.031 259 V CA -1.254 61.072 62.300 0.043 0.000 0.881 259 V CB 1.684 33.527 31.823 0.034 0.000 0.982 259 V HN 0.199 nan 8.190 nan 0.000 0.451 260 K N 4.819 125.289 120.400 0.117 0.000 2.451 260 K HA 0.182 4.505 4.320 0.005 0.000 0.280 260 K C 1.060 177.756 176.600 0.161 0.000 1.020 260 K CA -0.197 56.182 56.287 0.153 0.000 1.008 260 K CB 0.737 33.341 32.500 0.173 0.000 0.917 260 K HN 0.498 nan 8.250 nan 0.000 0.478 261 M N 1.865 121.559 119.600 0.156 0.000 2.149 261 M HA -0.159 4.325 4.480 0.005 0.000 0.261 261 M C 1.545 177.885 176.300 0.066 0.000 1.064 261 M CA 1.695 57.049 55.300 0.089 0.000 1.102 261 M CB -0.717 31.893 32.600 0.016 0.000 1.369 261 M HN 0.532 nan 8.290 nan 0.000 0.408 262 H N -1.055 118.074 119.070 0.098 0.000 2.561 262 H HA 0.091 4.651 4.556 0.005 0.000 0.278 262 H C 1.010 176.371 175.328 0.055 0.000 1.014 262 H CA 1.178 57.274 56.048 0.081 0.000 1.211 262 H CB 0.246 30.057 29.762 0.082 0.000 1.365 262 H HN 0.360 nan 8.280 nan 0.000 0.594 263 A N 0.401 123.309 122.820 0.147 0.000 2.603 263 A HA 0.030 4.354 4.320 0.005 0.000 0.277 263 A C 0.533 178.171 177.584 0.091 0.000 1.158 263 A CA -0.399 51.691 52.037 0.088 0.000 0.962 263 A CB 0.309 19.356 19.000 0.077 0.000 1.189 263 A HN 0.060 nan 8.150 nan 0.000 0.552 264 N N 1.342 120.107 118.700 0.108 0.000 2.602 264 N HA 0.056 4.799 4.740 0.005 0.000 0.238 264 N C 0.725 176.309 175.510 0.124 0.000 1.084 264 N CA 0.020 53.144 53.050 0.124 0.000 0.952 264 N CB 0.734 39.314 38.487 0.154 0.000 1.244 264 N HN 0.569 nan 8.380 nan 0.000 0.512 265 Q N 2.168 122.028 119.800 0.101 0.000 2.170 265 Q HA -0.143 4.200 4.340 0.005 0.000 0.203 265 Q C 0.239 176.309 176.000 0.117 0.000 0.976 265 Q CA 1.252 57.111 55.803 0.094 0.000 0.858 265 Q CB 0.324 29.104 28.738 0.070 0.000 0.907 265 Q HN 0.543 nan 8.270 nan 0.000 0.433 266 D N 0.309 120.789 120.400 0.132 0.000 2.117 266 D HA -0.147 4.496 4.640 0.005 0.000 0.197 266 D C 1.969 178.390 176.300 0.201 0.000 0.987 266 D CA 1.085 55.178 54.000 0.154 0.000 0.829 266 D CB -0.001 40.895 40.800 0.160 0.000 0.961 266 D HN 0.323 nan 8.370 nan 0.000 0.460 267 L N 0.197 121.552 121.223 0.220 0.000 2.102 267 L HA -0.072 4.272 4.340 0.005 0.000 0.202 267 L C 2.615 179.722 176.870 0.396 0.000 1.076 267 L CA 0.385 55.405 54.840 0.299 0.000 0.761 267 L CB -0.301 41.865 42.059 0.179 0.000 0.921 267 L HN -0.114 nan 8.230 nan 0.000 0.444 268 V N -0.646 119.437 119.914 0.282 0.000 2.307 268 V HA -0.234 3.890 4.120 0.005 0.000 0.245 268 V C 2.394 178.529 176.094 0.068 0.000 1.045 268 V CA 2.359 64.740 62.300 0.134 0.000 1.024 268 V CB -0.504 31.379 31.823 0.100 0.000 0.651 268 V HN 0.447 nan 8.190 nan 0.000 0.449 269 T N -0.417 114.194 114.554 0.094 0.000 2.925 269 T HA 0.099 4.452 4.350 0.005 0.000 0.245 269 T C 1.883 176.630 174.700 0.079 0.000 1.025 269 T CA 1.004 63.145 62.100 0.069 0.000 1.149 269 T CB -0.378 68.527 68.868 0.061 0.000 0.866 269 T HN 0.539 nan 8.240 nan 0.000 0.437 270 G N -0.162 108.707 108.800 0.115 0.000 2.418 270 G HA2 -0.203 3.760 3.960 0.005 0.000 0.217 270 G HA3 -0.203 3.760 3.960 0.005 0.000 0.217 270 G C 1.338 176.339 174.900 0.168 0.000 1.158 270 G CA 0.791 45.969 45.100 0.130 0.000 0.771 270 G HN 0.448 nan 8.290 nan 0.000 0.545 271 Y N -0.094 120.249 120.300 0.072 0.000 2.259 271 Y HA 0.292 4.845 4.550 0.006 0.000 0.285 271 Y C 2.461 178.385 175.900 0.039 0.000 1.130 271 Y CA 0.610 58.754 58.100 0.072 0.000 1.144 271 Y CB -0.609 37.919 38.460 0.113 0.000 1.093 271 Y HN 0.068 nan 8.280 nan 0.000 0.507 272 L N 1.060 122.281 121.223 -0.003 0.000 2.013 272 L HA -0.213 4.130 4.340 0.005 0.000 0.212 272 L C 1.931 178.732 176.870 -0.116 0.000 1.073 272 L CA 2.112 56.805 54.840 -0.244 0.000 0.753 272 L CB -0.663 41.038 42.059 -0.598 0.000 0.890 272 L HN 0.182 nan 8.230 nan 0.000 0.432 273 K N -1.046 119.335 120.400 -0.031 0.000 2.063 273 K HA -0.036 4.287 4.320 0.005 0.000 0.204 273 K C 1.802 178.386 176.600 -0.027 0.000 1.039 273 K CA 1.180 57.477 56.287 0.017 0.000 0.957 273 K CB -0.216 32.300 32.500 0.028 0.000 0.764 273 K HN 0.276 nan 8.250 nan 0.000 0.447 274 D N 0.253 120.637 120.400 -0.027 0.000 2.123 274 D HA -0.082 4.562 4.640 0.005 0.000 0.200 274 D C 1.814 178.074 176.300 -0.068 0.000 0.976 274 D CA 1.324 55.306 54.000 -0.030 0.000 0.831 274 D CB -0.162 40.641 40.800 0.004 0.000 0.974 274 D HN 0.147 nan 8.370 nan 0.000 0.469 275 T N 0.788 115.258 114.554 -0.141 0.000 2.837 275 T HA 0.103 4.457 4.350 0.005 0.000 0.248 275 T C 2.124 176.665 174.700 -0.264 0.000 1.033 275 T CA 0.186 62.155 62.100 -0.218 0.000 1.150 275 T CB -0.209 68.444 68.868 -0.358 0.000 0.865 275 T HN 0.036 nan 8.240 nan 0.000 0.425 276 L N 0.630 121.620 121.223 -0.388 0.000 2.465 276 L HA 0.137 4.480 4.340 0.005 0.000 0.224 276 L C 0.598 177.414 176.870 -0.091 0.000 1.145 276 L CA 0.581 55.279 54.840 -0.236 0.000 0.834 276 L CB -0.514 41.397 42.059 -0.246 0.000 0.944 276 L HN 0.355 nan 8.230 nan 0.000 0.451 277 K N -0.024 120.329 120.400 -0.079 0.000 3.096 277 K HA -0.246 4.077 4.320 0.005 0.000 0.266 277 K C -0.016 176.597 176.600 0.022 0.000 1.043 277 K CA 0.185 56.451 56.287 -0.036 0.000 0.758 277 K CB -1.745 30.722 32.500 -0.056 0.000 1.260 277 K HN 0.109 nan 8.250 nan 0.000 0.481 278 F N 1.268 121.152 119.950 -0.109 0.000 2.543 278 F HA 0.085 4.615 4.527 0.005 0.000 0.375 278 F C 1.074 176.840 175.800 -0.057 0.000 1.075 278 F CA 0.056 58.007 58.000 -0.083 0.000 1.225 278 F CB 0.822 39.752 39.000 -0.116 0.000 1.099 278 F HN -0.110 nan 8.300 nan 0.000 0.561 279 K N 4.043 124.109 120.400 -0.557 0.000 2.374 279 K HA 0.314 4.637 4.320 0.005 0.000 0.202 279 K C 0.939 177.125 176.600 -0.690 0.000 1.040 279 K CA 0.305 56.294 56.287 -0.497 0.000 1.085 279 K CB 0.422 32.781 32.500 -0.235 0.000 0.873 279 K HN 0.747 nan 8.250 nan 0.000 0.539 280 G N 0.052 108.017 108.800 -1.392 0.000 2.504 280 G HA2 0.336 4.299 3.960 0.005 0.000 0.257 280 G HA3 0.336 4.299 3.960 0.005 0.000 0.257 280 G C -0.579 173.932 174.900 -0.650 0.000 1.451 280 G CA -0.482 44.116 45.100 -0.837 0.000 1.059 280 G HN 0.174 nan 8.290 nan 0.000 0.550 281 F N -1.316 118.561 119.950 -0.121 0.000 2.480 281 F HA 0.711 5.241 4.527 0.005 0.000 0.329 281 F C -0.570 175.420 175.800 0.318 0.000 1.091 281 F CA -1.851 56.181 58.000 0.054 0.000 0.972 281 F CB 1.612 40.621 39.000 0.014 0.000 1.150 281 F HN 0.220 nan 8.300 nan 0.000 0.467 282 V N 5.608 125.853 119.914 0.552 0.000 2.406 282 V HA 0.362 4.485 4.120 0.005 0.000 0.272 282 V C 0.083 176.395 176.094 0.364 0.000 1.043 282 V CA -0.580 61.946 62.300 0.376 0.000 0.915 282 V CB 1.056 33.009 31.823 0.217 0.000 0.988 282 V HN 0.904 nan 8.190 nan 0.000 0.466 283 I N 4.117 124.884 120.570 0.328 0.000 2.693 283 I HA 0.593 4.766 4.170 0.005 0.000 0.303 283 I C 0.764 176.971 176.117 0.150 0.000 1.025 283 I CA -0.201 61.271 61.300 0.287 0.000 1.086 283 I CB 2.376 40.636 38.000 0.433 0.000 1.268 283 I HN 0.794 nan 8.210 nan 0.000 0.440 284 S N 4.377 120.157 115.700 0.132 0.000 2.652 284 S HA 0.338 4.811 4.470 0.005 0.000 0.267 284 S C -0.360 174.326 174.600 0.143 0.000 1.201 284 S CA -0.544 57.776 58.200 0.200 0.000 0.996 284 S CB 1.322 64.672 63.200 0.250 0.000 1.054 284 S HN 0.673 nan 8.310 nan 0.000 0.561 285 D N -0.887 119.645 120.400 0.220 0.000 2.442 285 D HA 0.156 4.800 4.640 0.005 0.000 0.254 285 D C -0.788 175.579 176.300 0.111 0.000 1.069 285 D CA -0.846 53.150 54.000 -0.007 0.000 1.017 285 D CB 0.906 41.448 40.800 -0.431 0.000 1.172 285 D HN 0.702 nan 8.370 nan 0.000 0.561 286 W N 2.374 123.680 121.300 0.011 0.000 2.812 286 W HA -0.035 4.628 4.660 0.005 0.000 0.366 286 W C -0.008 176.625 176.519 0.190 0.000 1.373 286 W CA 0.850 58.254 57.345 0.099 0.000 1.374 286 W CB -0.611 28.923 29.460 0.123 0.000 1.500 286 W HN 0.653 nan 8.180 nan 0.000 0.568 287 E N 1.747 121.953 120.200 0.009 0.000 2.791 287 E HA -0.255 4.098 4.350 0.005 0.000 0.271 287 E C 1.431 178.099 176.600 0.113 0.000 1.044 287 E CA 0.459 56.877 56.400 0.030 0.000 0.814 287 E CB -1.442 28.284 29.700 0.044 0.000 1.400 287 E HN 0.704 nan 8.360 nan 0.000 0.423 288 G N 1.523 110.355 108.800 0.053 0.000 2.476 288 G HA2 -0.291 3.673 3.960 0.005 0.000 0.218 288 G HA3 -0.291 3.673 3.960 0.005 0.000 0.218 288 G C 1.473 176.035 174.900 -0.562 0.000 1.164 288 G CA 1.304 46.164 45.100 -0.399 0.000 0.768 288 G HN 0.559 nan 8.290 nan 0.000 0.560 289 I N -1.051 119.364 120.570 -0.258 0.000 2.394 289 I HA -0.027 4.146 4.170 0.005 0.000 0.251 289 I C 1.809 177.926 176.117 -0.001 0.000 1.136 289 I CA 1.921 63.168 61.300 -0.089 0.000 1.425 289 I CB -0.404 37.576 38.000 -0.032 0.000 1.079 289 I HN -0.039 nan 8.210 nan 0.000 0.425 290 D N 1.857 122.306 120.400 0.082 0.000 2.123 290 D HA -0.158 4.485 4.640 0.005 0.000 0.196 290 D C 2.085 178.449 176.300 0.107 0.000 0.992 290 D CA 1.474 55.578 54.000 0.172 0.000 0.833 290 D CB -0.247 40.650 40.800 0.162 0.000 0.954 290 D HN 0.418 nan 8.370 nan 0.000 0.455 291 R N 0.143 120.679 120.500 0.059 0.000 2.323 291 R HA 0.152 4.495 4.340 0.005 0.000 0.198 291 R C 1.767 178.114 176.300 0.077 0.000 0.988 291 R CA 0.005 56.137 56.100 0.053 0.000 1.041 291 R CB -0.065 30.248 30.300 0.021 0.000 0.926 291 R HN 0.307 nan 8.270 nan 0.000 0.476 292 I N 0.661 121.285 120.570 0.089 0.000 2.252 292 I HA -0.177 3.997 4.170 0.005 0.000 0.245 292 I C 1.460 177.676 176.117 0.165 0.000 1.102 292 I CA 1.064 62.443 61.300 0.133 0.000 1.385 292 I CB -0.379 37.695 38.000 0.123 0.000 1.064 292 I HN 0.227 nan 8.210 nan 0.000 0.414 293 T N -1.826 112.831 114.554 0.171 0.000 2.847 293 T HA 0.363 4.716 4.350 0.005 0.000 0.279 293 T C 0.057 174.813 174.700 0.093 0.000 0.984 293 T CA -0.462 61.730 62.100 0.152 0.000 0.988 293 T CB 1.803 70.775 68.868 0.172 0.000 1.040 293 T HN 0.187 nan 8.240 nan 0.000 0.528 294 T N 0.498 115.091 114.554 0.064 0.000 3.143 294 T HA 0.539 4.892 4.350 0.005 0.000 0.312 294 T C -2.922 171.796 174.700 0.030 0.000 0.986 294 T CA -1.171 60.955 62.100 0.042 0.000 1.024 294 T CB 0.439 69.327 68.868 0.033 0.000 1.030 294 T HN 0.643 nan 8.240 nan 0.000 0.448 295 P HA 0.457 nan 4.420 nan 0.000 0.269 295 P C -0.263 177.066 177.300 0.049 0.000 1.217 295 P CA -0.463 62.656 63.100 0.032 0.000 0.783 295 P CB 0.224 31.939 31.700 0.025 0.000 0.898 296 A N 1.396 124.244 122.820 0.046 0.000 2.462 296 A HA 0.449 4.773 4.320 0.005 0.000 0.243 296 A C 1.536 179.166 177.584 0.076 0.000 1.076 296 A CA 0.418 52.493 52.037 0.063 0.000 0.773 296 A CB -0.936 18.090 19.000 0.043 0.000 1.010 296 A HN 0.963 nan 8.150 nan 0.000 0.493 297 G N 1.022 109.897 108.800 0.124 0.000 2.220 297 G HA2 -0.319 3.644 3.960 0.005 0.000 0.269 297 G HA3 -0.319 3.644 3.960 0.005 0.000 0.269 297 G C 1.385 176.361 174.900 0.126 0.000 0.977 297 G CA 1.427 46.614 45.100 0.145 0.000 0.634 297 G HN 2.160 nan 8.290 nan 0.000 0.539 298 S N -0.896 114.864 115.700 0.100 0.000 2.493 298 S HA 0.105 4.579 4.470 0.005 0.000 0.243 298 S C 0.820 175.481 174.600 0.102 0.000 0.991 298 S CA 1.674 59.922 58.200 0.079 0.000 0.957 298 S CB 0.223 63.457 63.200 0.056 0.000 0.756 298 S HN 0.668 nan 8.310 nan 0.000 0.521 299 D N -0.688 119.807 120.400 0.159 0.000 3.118 299 D HA 0.136 4.780 4.640 0.005 0.000 0.259 299 D C -0.166 176.288 176.300 0.257 0.000 1.292 299 D CA -0.601 53.510 54.000 0.186 0.000 0.784 299 D CB -0.451 40.446 40.800 0.162 0.000 1.413 299 D HN 0.068 nan 8.370 nan 0.000 0.583 300 Y N 1.242 121.601 120.300 0.099 0.000 2.256 300 Y HA -0.189 4.364 4.550 0.005 0.000 0.288 300 Y C 2.239 178.204 175.900 0.108 0.000 1.155 300 Y CA 2.174 60.328 58.100 0.091 0.000 1.203 300 Y CB -0.069 38.424 38.460 0.054 0.000 0.980 300 Y HN 0.325 nan 8.280 nan 0.000 0.530 301 S N -1.031 114.769 115.700 0.168 0.000 2.359 301 S HA -0.300 4.173 4.470 0.005 0.000 0.224 301 S C 2.037 176.760 174.600 0.204 0.000 1.035 301 S CA 1.630 59.914 58.200 0.141 0.000 1.018 301 S CB -0.911 62.408 63.200 0.199 0.000 0.876 301 S HN 0.646 nan 8.310 nan 0.000 0.448 302 Y N 2.163 122.513 120.300 0.082 0.000 2.181 302 Y HA -0.067 4.487 4.550 0.006 0.000 0.288 302 Y C 2.549 178.464 175.900 0.024 0.000 1.146 302 Y CA 1.762 59.895 58.100 0.054 0.000 1.164 302 Y CB -0.950 37.536 38.460 0.042 0.000 0.982 302 Y HN 0.285 nan 8.280 nan 0.000 0.515 303 S N -0.343 115.287 115.700 -0.117 0.000 2.359 303 S HA -0.241 4.232 4.470 0.005 0.000 0.223 303 S C 2.121 176.568 174.600 -0.256 0.000 1.039 303 S CA 1.868 59.930 58.200 -0.230 0.000 1.042 303 S CB -0.888 62.190 63.200 -0.203 0.000 0.915 303 S HN 0.356 nan 8.310 nan 0.000 0.439 304 V N 1.958 121.720 119.914 -0.253 0.000 2.343 304 V HA -0.180 3.943 4.120 0.005 0.000 0.247 304 V C 2.382 178.462 176.094 -0.023 0.000 1.051 304 V CA 1.888 64.116 62.300 -0.120 0.000 1.036 304 V CB -0.606 31.108 31.823 -0.182 0.000 0.654 304 V HN 0.440 nan 8.190 nan 0.000 0.451 305 K N 0.469 120.872 120.400 0.005 0.000 2.002 305 K HA -0.193 4.130 4.320 0.005 0.000 0.209 305 K C 2.224 178.738 176.600 -0.143 0.000 1.048 305 K CA 1.711 57.963 56.287 -0.059 0.000 0.930 305 K CB -0.372 32.033 32.500 -0.158 0.000 0.714 305 K HN 0.405 nan 8.250 nan 0.000 0.438 306 A N 0.980 123.613 122.820 -0.312 0.000 1.877 306 A HA -0.173 4.150 4.320 0.005 0.000 0.216 306 A C 2.185 179.696 177.584 -0.121 0.000 1.186 306 A CA 2.284 54.142 52.037 -0.299 0.000 0.620 306 A CB -0.857 17.767 19.000 -0.627 0.000 0.822 306 A HN 0.598 nan 8.150 nan 0.000 0.443 307 S N -0.013 115.635 115.700 -0.087 0.000 2.355 307 S HA -0.110 4.363 4.470 0.005 0.000 0.222 307 S C 1.819 176.442 174.600 0.039 0.000 1.031 307 S CA 1.401 59.612 58.200 0.019 0.000 0.993 307 S CB -0.545 62.693 63.200 0.063 0.000 0.859 307 S HN 0.321 nan 8.310 nan 0.000 0.453 308 I N 2.151 122.743 120.570 0.037 0.000 2.252 308 I HA -0.021 4.152 4.170 0.005 0.000 0.245 308 I C 2.445 178.581 176.117 0.030 0.000 1.102 308 I CA 1.013 62.344 61.300 0.052 0.000 1.385 308 I CB -1.353 36.684 38.000 0.060 0.000 1.064 308 I HN 0.324 nan 8.210 nan 0.000 0.414 309 L N 0.557 121.785 121.223 0.007 0.000 2.201 309 L HA -0.100 4.244 4.340 0.005 0.000 0.212 309 L C 2.650 179.533 176.870 0.020 0.000 1.105 309 L CA 0.889 55.732 54.840 0.005 0.000 0.775 309 L CB -0.583 41.468 42.059 -0.014 0.000 0.913 309 L HN 0.158 nan 8.230 nan 0.000 0.440 310 A N -0.413 122.422 122.820 0.025 0.000 2.067 310 A HA 0.089 4.412 4.320 0.005 0.000 0.219 310 A C 1.890 179.506 177.584 0.053 0.000 1.158 310 A CA 1.446 53.509 52.037 0.044 0.000 0.661 310 A CB -0.358 18.672 19.000 0.051 0.000 0.801 310 A HN 0.535 nan 8.150 nan 0.000 0.452 311 G N -2.773 106.056 108.800 0.049 0.000 2.260 311 G HA2 -0.080 3.884 3.960 0.005 0.000 0.179 311 G HA3 -0.080 3.884 3.960 0.005 0.000 0.179 311 G C -0.092 174.847 174.900 0.065 0.000 1.002 311 G CA -0.144 44.988 45.100 0.053 0.000 0.677 311 G HN 0.288 nan 8.290 nan 0.000 0.486 312 L N 2.036 123.301 121.223 0.070 0.000 2.514 312 L HA 0.318 4.661 4.340 0.005 0.000 0.280 312 L C 1.224 178.149 176.870 0.093 0.000 1.223 312 L CA 0.952 55.845 54.840 0.088 0.000 0.864 312 L CB 0.550 42.664 42.059 0.092 0.000 1.118 312 L HN 0.159 nan 8.230 nan 0.000 0.494 313 D N 1.182 121.649 120.400 0.110 0.000 2.431 313 D HA 0.104 4.747 4.640 0.005 0.000 0.235 313 D C 0.434 176.745 176.300 0.019 0.000 0.980 313 D CA 0.680 54.722 54.000 0.070 0.000 0.912 313 D CB 0.483 41.336 40.800 0.088 0.000 1.056 313 D HN 0.415 nan 8.370 nan 0.000 0.494 314 M N 1.300 120.917 119.600 0.027 0.000 2.393 314 M HA 0.340 4.824 4.480 0.005 0.000 0.316 314 M C -1.868 174.429 176.300 -0.006 0.000 1.087 314 M CA -0.606 54.669 55.300 -0.043 0.000 0.937 314 M CB 2.365 34.861 32.600 -0.173 0.000 1.668 314 M HN -0.325 nan 8.290 nan 0.000 0.438 315 I N 5.091 125.588 120.570 -0.121 0.000 2.404 315 I HA 0.320 4.494 4.170 0.005 0.000 0.293 315 I C -0.326 175.631 176.117 -0.266 0.000 0.992 315 I CA -0.462 60.694 61.300 -0.239 0.000 1.149 315 I CB 1.676 39.320 38.000 -0.593 0.000 1.315 315 I HN 0.905 nan 8.210 nan 0.000 0.446 316 M N 6.887 126.386 119.600 -0.168 0.000 2.852 316 M HA 0.157 4.641 4.480 0.005 0.000 0.321 316 M C 0.550 176.689 176.300 -0.269 0.000 1.337 316 M CA -0.253 54.947 55.300 -0.168 0.000 1.406 316 M CB 0.192 32.745 32.600 -0.078 0.000 1.152 316 M HN 0.504 nan 8.290 nan 0.000 0.508 317 V N 4.329 124.045 119.914 -0.331 0.000 2.222 317 V HA -0.199 3.924 4.120 0.005 0.000 0.252 317 V C -0.929 174.938 176.094 -0.379 0.000 1.060 317 V CA 2.117 64.237 62.300 -0.299 0.000 1.027 317 V CB -1.727 29.965 31.823 -0.219 0.000 0.644 317 V HN 0.712 nan 8.190 nan 0.000 0.448 318 P HA 0.170 nan 4.420 nan 0.000 0.291 318 P C 0.512 177.634 177.300 -0.298 0.000 1.341 318 P CA 0.403 63.215 63.100 -0.479 0.000 0.999 318 P CB 0.556 31.769 31.700 -0.813 0.000 1.501 319 N N 0.858 119.401 118.700 -0.262 0.000 2.607 319 N HA 0.072 4.815 4.740 0.005 0.000 0.207 319 N C 0.654 176.105 175.510 -0.098 0.000 1.040 319 N CA 0.463 53.438 53.050 -0.125 0.000 0.947 319 N CB -0.063 38.335 38.487 -0.150 0.000 1.293 319 N HN 0.115 nan 8.380 nan 0.000 0.446 320 K N 2.592 122.878 120.400 -0.190 0.000 2.449 320 K HA 0.027 4.350 4.320 0.005 0.000 0.237 320 K C 0.528 177.030 176.600 -0.163 0.000 1.265 320 K CA -0.168 55.960 56.287 -0.266 0.000 1.193 320 K CB -0.505 31.812 32.500 -0.305 0.000 1.515 320 K HN 0.411 nan 8.250 nan 0.000 0.259 321 Y N -1.009 119.278 120.300 -0.020 0.000 2.373 321 Y HA -0.176 4.378 4.550 0.006 0.000 0.293 321 Y C 2.156 178.119 175.900 0.104 0.000 1.129 321 Y CA 0.647 58.790 58.100 0.071 0.000 1.226 321 Y CB -0.411 38.059 38.460 0.016 0.000 1.000 321 Y HN 0.320 nan 8.280 nan 0.000 0.549 322 Q N 0.703 120.277 119.800 -0.377 0.000 2.050 322 Q HA -0.290 4.054 4.340 0.005 0.000 0.202 322 Q C 2.525 178.499 176.000 -0.043 0.000 0.980 322 Q CA 2.003 57.715 55.803 -0.152 0.000 0.840 322 Q CB -0.183 28.384 28.738 -0.285 0.000 0.898 322 Q HN 0.756 nan 8.270 nan 0.000 0.424 323 Q N -0.576 119.176 119.800 -0.080 0.000 2.061 323 Q HA -0.220 4.124 4.340 0.005 0.000 0.204 323 Q C 1.923 178.022 176.000 0.164 0.000 0.984 323 Q CA 1.741 57.539 55.803 -0.007 0.000 0.846 323 Q CB -0.291 28.369 28.738 -0.130 0.000 0.902 323 Q HN 0.444 nan 8.270 nan 0.000 0.421 324 F N 1.066 121.110 119.950 0.157 0.000 2.046 324 F HA -0.234 4.296 4.527 0.005 0.000 0.297 324 F C 1.897 177.753 175.800 0.093 0.000 1.123 324 F CA 1.780 59.927 58.000 0.246 0.000 1.199 324 F CB -0.429 38.700 39.000 0.215 0.000 0.972 324 F HN 0.082 nan 8.300 nan 0.000 0.474 325 I N -0.678 119.877 120.570 -0.025 0.000 2.208 325 I HA -0.337 3.836 4.170 0.005 0.000 0.245 325 I C 2.733 178.749 176.117 -0.168 0.000 1.097 325 I CA 1.567 62.781 61.300 -0.143 0.000 1.363 325 I CB -0.886 37.168 38.000 0.089 0.000 1.051 325 I HN 0.251 nan 8.210 nan 0.000 0.413 326 S N 1.063 116.709 115.700 -0.090 0.000 2.348 326 S HA -0.149 4.324 4.470 0.005 0.000 0.221 326 S C 2.063 176.567 174.600 -0.160 0.000 1.033 326 S CA 1.373 59.519 58.200 -0.089 0.000 1.010 326 S CB -0.254 62.915 63.200 -0.050 0.000 0.891 326 S HN 0.302 nan 8.310 nan 0.000 0.442 327 I N 1.032 121.481 120.570 -0.200 0.000 2.226 327 I HA -0.160 4.013 4.170 0.005 0.000 0.245 327 I C 2.324 178.119 176.117 -0.536 0.000 1.100 327 I CA 0.894 61.993 61.300 -0.335 0.000 1.374 327 I CB -0.328 37.516 38.000 -0.260 0.000 1.057 327 I HN 0.333 nan 8.210 nan 0.000 0.413 328 L N 0.424 121.337 121.223 -0.517 0.000 2.046 328 L HA -0.167 4.177 4.340 0.005 0.000 0.208 328 L C 2.455 179.178 176.870 -0.245 0.000 1.077 328 L CA 2.080 56.656 54.840 -0.439 0.000 0.747 328 L CB -1.019 40.677 42.059 -0.605 0.000 0.896 328 L HN 0.153 nan 8.230 nan 0.000 0.432 329 T N -0.406 114.020 114.554 -0.214 0.000 2.684 329 T HA -0.139 4.214 4.350 0.005 0.000 0.267 329 T C 1.734 176.389 174.700 -0.075 0.000 1.036 329 T CA 1.387 63.421 62.100 -0.110 0.000 1.148 329 T CB -1.011 67.809 68.868 -0.080 0.000 0.863 329 T HN 0.587 nan 8.240 nan 0.000 0.436 330 G N 0.779 109.515 108.800 -0.106 0.000 2.491 330 G HA2 -0.293 3.671 3.960 0.005 0.000 0.218 330 G HA3 -0.293 3.671 3.960 0.005 0.000 0.218 330 G C 1.221 176.151 174.900 0.050 0.000 1.180 330 G CA 1.110 46.182 45.100 -0.046 0.000 0.774 330 G HN 0.634 nan 8.290 nan 0.000 0.562 331 H N -0.553 118.485 119.070 -0.052 0.000 2.352 331 H HA -0.086 4.474 4.556 0.005 0.000 0.299 331 H C 2.779 178.084 175.328 -0.039 0.000 1.097 331 H CA 0.828 56.849 56.048 -0.045 0.000 1.311 331 H CB 0.113 29.838 29.762 -0.061 0.000 1.377 331 H HN 0.255 nan 8.280 nan 0.000 0.504 332 V N 1.278 121.241 119.914 0.081 0.000 2.270 332 V HA -0.239 3.884 4.120 0.005 0.000 0.245 332 V C 1.921 178.028 176.094 0.021 0.000 1.043 332 V CA 1.651 63.969 62.300 0.030 0.000 1.014 332 V CB -0.364 31.459 31.823 0.001 0.000 0.645 332 V HN 0.501 nan 8.190 nan 0.000 0.447 333 N N 1.061 119.771 118.700 0.016 0.000 2.192 333 N HA -0.132 4.611 4.740 0.005 0.000 0.188 333 N C 1.704 177.225 175.510 0.018 0.000 1.013 333 N CA 1.678 54.734 53.050 0.011 0.000 0.863 333 N CB -0.511 37.980 38.487 0.007 0.000 0.990 333 N HN 0.557 nan 8.380 nan 0.000 0.430 334 G N -1.373 107.446 108.800 0.032 0.000 3.042 334 G HA2 0.293 4.256 3.960 0.005 0.000 0.212 334 G HA3 0.293 4.256 3.960 0.005 0.000 0.212 334 G C 0.975 175.883 174.900 0.014 0.000 1.166 334 G CA 0.480 45.596 45.100 0.028 0.000 0.767 334 G HN 0.461 nan 8.290 nan 0.000 0.546 335 G N -0.716 108.091 108.800 0.011 0.000 2.179 335 G HA2 -0.335 3.628 3.960 0.005 0.000 0.260 335 G HA3 -0.335 3.628 3.960 0.005 0.000 0.260 335 G C 1.198 176.089 174.900 -0.015 0.000 0.977 335 G CA 0.531 45.631 45.100 -0.001 0.000 0.641 335 G HN 0.491 nan 8.290 nan 0.000 0.533 336 V N 0.134 120.031 119.914 -0.028 0.000 2.515 336 V HA 0.166 4.289 4.120 0.005 0.000 0.250 336 V C 1.477 177.530 176.094 -0.068 0.000 1.058 336 V CA 1.880 64.129 62.300 -0.086 0.000 1.064 336 V CB -0.136 31.553 31.823 -0.224 0.000 0.675 336 V HN 0.503 nan 8.190 nan 0.000 0.461 337 I N 1.061 121.617 120.570 -0.023 0.000 2.447 337 I HA 0.367 4.540 4.170 0.005 0.000 0.287 337 I C -2.646 173.471 176.117 -0.001 0.000 1.023 337 I CA -2.059 59.236 61.300 -0.008 0.000 1.083 337 I CB 2.269 40.280 38.000 0.018 0.000 1.245 337 I HN 0.068 nan 8.210 nan 0.000 0.434 338 P HA 0.182 nan 4.420 nan 0.000 0.272 338 P C 0.629 177.927 177.300 -0.003 0.000 1.223 338 P CA -0.513 62.585 63.100 -0.004 0.000 0.784 338 P CB 0.682 32.380 31.700 -0.004 0.000 0.923 339 M N 1.264 120.861 119.600 -0.006 0.000 2.279 339 M HA -0.117 4.366 4.480 0.005 0.000 0.264 339 M C 1.764 178.058 176.300 -0.009 0.000 1.062 339 M CA 1.859 57.154 55.300 -0.009 0.000 1.099 339 M CB -1.584 31.009 32.600 -0.012 0.000 1.394 339 M HN 0.466 nan 8.290 nan 0.000 0.426 340 S N -0.412 115.283 115.700 -0.008 0.000 2.399 340 S HA -0.169 4.304 4.470 0.005 0.000 0.231 340 S C 1.978 176.575 174.600 -0.005 0.000 1.022 340 S CA 1.090 59.286 58.200 -0.008 0.000 0.983 340 S CB -0.418 62.778 63.200 -0.006 0.000 0.803 340 S HN 0.339 nan 8.310 nan 0.000 0.480 341 R N 1.438 121.938 120.500 -0.001 0.000 2.075 341 R HA 0.159 4.502 4.340 0.005 0.000 0.232 341 R C 2.050 178.354 176.300 0.005 0.000 1.126 341 R CA 1.369 57.472 56.100 0.005 0.000 0.963 341 R CB -0.799 29.506 30.300 0.008 0.000 0.858 341 R HN 0.422 nan 8.270 nan 0.000 0.435 342 I N 1.125 121.695 120.570 0.000 0.000 2.202 342 I HA -0.210 3.963 4.170 0.005 0.000 0.242 342 I C 1.391 177.502 176.117 -0.011 0.000 1.091 342 I CA 1.473 62.771 61.300 -0.003 0.000 1.368 342 I CB -1.207 36.786 38.000 -0.010 0.000 1.058 342 I HN 0.169 nan 8.210 nan 0.000 0.410 343 D N 0.638 121.029 120.400 -0.015 0.000 2.144 343 D HA -0.218 4.425 4.640 0.005 0.000 0.199 343 D C 1.844 178.133 176.300 -0.018 0.000 0.984 343 D CA 1.447 55.435 54.000 -0.020 0.000 0.834 343 D CB -0.275 40.513 40.800 -0.021 0.000 0.955 343 D HN 0.403 nan 8.370 nan 0.000 0.465 344 D N 0.433 120.825 120.400 -0.013 0.000 2.097 344 D HA -0.104 4.539 4.640 0.005 0.000 0.195 344 D C 1.976 178.271 176.300 -0.010 0.000 0.989 344 D CA 1.813 55.806 54.000 -0.012 0.000 0.827 344 D CB -0.066 40.730 40.800 -0.007 0.000 0.966 344 D HN 0.069 nan 8.370 nan 0.000 0.456 345 A N 0.014 122.832 122.820 -0.003 0.000 1.865 345 A HA -0.146 4.177 4.320 0.005 0.000 0.217 345 A C 2.538 180.104 177.584 -0.031 0.000 1.191 345 A CA 2.021 54.055 52.037 -0.004 0.000 0.623 345 A CB -1.035 17.969 19.000 0.007 0.000 0.826 345 A HN 0.230 nan 8.150 nan 0.000 0.444 346 V N -0.254 119.641 119.914 -0.033 0.000 2.490 346 V HA -0.210 3.913 4.120 0.005 0.000 0.250 346 V C 2.648 178.726 176.094 -0.026 0.000 1.061 346 V CA 2.323 64.596 62.300 -0.045 0.000 1.064 346 V CB -1.363 30.434 31.823 -0.042 0.000 0.670 346 V HN 0.608 nan 8.190 nan 0.000 0.461 347 T N -0.093 114.452 114.554 -0.015 0.000 2.708 347 T HA -0.189 4.164 4.350 0.005 0.000 0.266 347 T C 2.125 176.834 174.700 0.015 0.000 1.037 347 T CA 1.684 63.784 62.100 -0.000 0.000 1.146 347 T CB -0.205 68.655 68.868 -0.014 0.000 0.865 347 T HN 0.438 nan 8.240 nan 0.000 0.435 348 R N 0.371 120.873 120.500 0.004 0.000 2.081 348 R HA 0.066 4.409 4.340 0.005 0.000 0.235 348 R C 2.463 178.832 176.300 0.114 0.000 1.131 348 R CA 1.198 57.316 56.100 0.030 0.000 0.960 348 R CB -0.476 29.836 30.300 0.021 0.000 0.856 348 R HN 0.385 nan 8.270 nan 0.000 0.436 349 I N 0.745 121.318 120.570 0.005 0.000 2.179 349 I HA -0.297 3.876 4.170 0.005 0.000 0.242 349 I C 2.155 178.280 176.117 0.013 0.000 1.088 349 I CA 1.364 62.581 61.300 -0.138 0.000 1.357 349 I CB -0.263 37.512 38.000 -0.374 0.000 1.051 349 I HN 0.161 nan 8.210 nan 0.000 0.409 350 L N 0.162 121.405 121.223 0.034 0.000 2.093 350 L HA -0.186 4.157 4.340 0.005 0.000 0.208 350 L C 2.772 179.782 176.870 0.233 0.000 1.085 350 L CA 1.106 56.008 54.840 0.103 0.000 0.755 350 L CB -0.587 41.565 42.059 0.154 0.000 0.904 350 L HN 0.240 nan 8.230 nan 0.000 0.435 351 R N 0.216 120.833 120.500 0.196 0.000 2.091 351 R HA -0.160 4.184 4.340 0.005 0.000 0.238 351 R C 2.181 178.593 176.300 0.186 0.000 1.136 351 R CA 1.739 57.953 56.100 0.190 0.000 0.959 351 R CB -0.214 30.136 30.300 0.084 0.000 0.856 351 R HN 0.151 nan 8.270 nan 0.000 0.437 352 V N 1.500 121.518 119.914 0.173 0.000 2.295 352 V HA -0.245 3.878 4.120 0.005 0.000 0.246 352 V C 2.267 178.435 176.094 0.123 0.000 1.049 352 V CA 2.059 64.445 62.300 0.144 0.000 1.024 352 V CB -0.473 31.484 31.823 0.222 0.000 0.648 352 V HN 0.383 nan 8.190 nan 0.000 0.447 353 K N -0.738 119.739 120.400 0.128 0.000 2.057 353 K HA -0.141 4.182 4.320 0.005 0.000 0.207 353 K C 2.095 178.792 176.600 0.162 0.000 1.049 353 K CA 1.640 57.977 56.287 0.084 0.000 0.931 353 K CB -0.322 32.192 32.500 0.024 0.000 0.714 353 K HN 0.355 nan 8.250 nan 0.000 0.440 354 F N 1.312 121.390 119.950 0.212 0.000 2.146 354 F HA -0.145 4.385 4.527 0.004 0.000 0.298 354 F C 2.607 178.438 175.800 0.051 0.000 1.096 354 F CA 1.202 59.248 58.000 0.077 0.000 1.275 354 F CB -0.869 38.063 39.000 -0.114 0.000 1.008 354 F HN -0.028 nan 8.300 nan 0.000 0.480 355 T N 0.908 115.598 114.554 0.227 0.000 2.788 355 T HA -0.234 4.120 4.350 0.005 0.000 0.268 355 T C 1.873 176.581 174.700 0.013 0.000 1.044 355 T CA 1.769 63.934 62.100 0.109 0.000 1.139 355 T CB -0.468 68.455 68.868 0.092 0.000 0.867 355 T HN 0.386 nan 8.240 nan 0.000 0.454 356 M N 0.244 119.849 119.600 0.008 0.000 2.618 356 M HA 0.415 4.898 4.480 0.005 0.000 0.240 356 M C 1.460 177.755 176.300 -0.008 0.000 1.123 356 M CA 0.818 56.081 55.300 -0.060 0.000 1.060 356 M CB -0.137 32.426 32.600 -0.061 0.000 1.535 356 M HN 0.219 nan 8.290 nan 0.000 0.507 357 G N 1.678 110.522 108.800 0.073 0.000 2.147 357 G HA2 -0.227 3.736 3.960 0.005 0.000 0.244 357 G HA3 -0.227 3.736 3.960 0.005 0.000 0.244 357 G C 0.512 175.477 174.900 0.109 0.000 1.005 357 G CA 0.346 45.510 45.100 0.107 0.000 0.713 357 G HN 0.527 nan 8.290 nan 0.000 0.515 358 L N -1.286 119.994 121.223 0.096 0.000 2.127 358 L HA -0.020 4.323 4.340 0.005 0.000 0.211 358 L C 2.636 179.461 176.870 -0.075 0.000 1.089 358 L CA 1.778 56.600 54.840 -0.029 0.000 0.757 358 L CB -0.332 41.646 42.059 -0.134 0.000 0.899 358 L HN 0.369 nan 8.230 nan 0.000 0.434 359 F N -0.041 119.867 119.950 -0.071 0.000 2.407 359 F HA -0.138 4.392 4.527 0.004 0.000 0.299 359 F C 2.319 178.135 175.800 0.026 0.000 1.097 359 F CA 0.731 58.716 58.000 -0.025 0.000 1.422 359 F CB -0.175 38.857 39.000 0.054 0.000 1.067 359 F HN 0.051 nan 8.300 nan 0.000 0.539 360 E N -0.669 119.659 120.200 0.213 0.000 2.190 360 E HA 0.043 4.396 4.350 0.005 0.000 0.191 360 E C 0.191 176.843 176.600 0.086 0.000 0.978 360 E CA 0.627 57.112 56.400 0.143 0.000 0.839 360 E CB 0.008 29.786 29.700 0.130 0.000 0.787 360 E HN 0.124 nan 8.360 nan 0.000 0.473 361 N N 0.511 119.240 118.700 0.049 0.000 2.791 361 N HA 0.156 4.899 4.740 0.005 0.000 0.265 361 N C -2.353 173.126 175.510 -0.051 0.000 1.580 361 N CA -0.798 52.268 53.050 0.027 0.000 0.809 361 N CB 1.573 40.083 38.487 0.038 0.000 1.178 361 N HN -0.012 nan 8.380 nan 0.000 0.499 362 P HA -0.008 nan 4.420 nan 0.000 0.225 362 P C -0.340 176.675 177.300 -0.474 0.000 1.156 362 P CA 1.133 63.992 63.100 -0.402 0.000 0.787 362 P CB 0.165 31.485 31.700 -0.634 0.000 0.802 363 Y N -0.622 119.680 120.300 0.003 0.000 2.488 363 Y HA 0.593 5.146 4.550 0.004 0.000 0.325 363 Y C 1.020 176.926 175.900 0.009 0.000 1.204 363 Y CA -1.830 56.274 58.100 0.007 0.000 1.229 363 Y CB 0.249 38.712 38.460 0.005 0.000 1.274 363 Y HN -0.213 nan 8.280 nan 0.000 0.493 364 A N 0.819 123.758 122.820 0.198 0.000 2.386 364 A HA 0.218 4.541 4.320 0.005 0.000 0.248 364 A C -0.489 177.148 177.584 0.089 0.000 1.082 364 A CA -0.282 51.819 52.037 0.107 0.000 0.789 364 A CB -0.020 19.031 19.000 0.085 0.000 1.025 364 A HN 0.682 nan 8.150 nan 0.000 0.490 365 D N 1.557 121.993 120.400 0.060 0.000 2.373 365 D HA 0.383 5.026 4.640 0.005 0.000 0.227 365 D C -1.954 174.367 176.300 0.036 0.000 1.091 365 D CA -1.920 52.108 54.000 0.047 0.000 0.840 365 D CB 1.418 42.242 40.800 0.039 0.000 1.060 365 D HN 0.075 nan 8.370 nan 0.000 0.502 366 P HA -0.088 nan 4.420 nan 0.000 0.219 366 P C 0.950 178.262 177.300 0.021 0.000 1.146 366 P CA 0.996 64.111 63.100 0.024 0.000 0.808 366 P CB 0.272 31.981 31.700 0.015 0.000 0.779 367 A N -1.174 121.657 122.820 0.020 0.000 2.067 367 A HA -0.126 4.197 4.320 0.005 0.000 0.219 367 A C 1.953 179.547 177.584 0.018 0.000 1.158 367 A CA 1.288 53.335 52.037 0.016 0.000 0.661 367 A CB -1.125 17.885 19.000 0.016 0.000 0.801 367 A HN 0.066 nan 8.150 nan 0.000 0.452 368 M N -0.821 118.792 119.600 0.022 0.000 2.492 368 M HA 0.053 4.536 4.480 0.005 0.000 0.262 368 M C 2.386 178.698 176.300 0.021 0.000 1.090 368 M CA 0.967 56.281 55.300 0.023 0.000 1.110 368 M CB -1.332 31.283 32.600 0.024 0.000 1.407 368 M HN 0.482 nan 8.290 nan 0.000 0.470 369 A N 1.027 123.860 122.820 0.022 0.000 1.940 369 A HA -0.203 4.120 4.320 0.005 0.000 0.221 369 A C 1.938 179.530 177.584 0.013 0.000 1.190 369 A CA 1.772 53.823 52.037 0.023 0.000 0.647 369 A CB -0.729 18.289 19.000 0.029 0.000 0.821 369 A HN 0.584 nan 8.150 nan 0.000 0.457 370 E N -0.481 119.722 120.200 0.005 0.000 2.516 370 E HA -0.117 4.236 4.350 0.005 0.000 0.199 370 E C 1.654 178.237 176.600 -0.028 0.000 1.069 370 E CA 0.306 56.698 56.400 -0.012 0.000 0.876 370 E CB -0.074 29.616 29.700 -0.017 0.000 0.843 370 E HN 0.592 nan 8.360 nan 0.000 0.530 371 Q N 0.213 120.013 119.800 -0.001 0.000 2.172 371 Q HA -0.049 4.295 4.340 0.005 0.000 0.200 371 Q C 0.880 176.896 176.000 0.027 0.000 0.964 371 Q CA 0.304 56.123 55.803 0.027 0.000 0.855 371 Q CB -0.291 28.503 28.738 0.094 0.000 0.918 371 Q HN 0.224 nan 8.270 nan 0.000 0.444 372 L N 1.085 122.313 121.223 0.009 0.000 2.562 372 L HA 0.141 4.484 4.340 0.005 0.000 0.271 372 L C 0.945 177.789 176.870 -0.044 0.000 1.167 372 L CA 1.486 56.322 54.840 -0.008 0.000 0.917 372 L CB 0.003 42.045 42.059 -0.027 0.000 1.187 372 L HN 0.498 nan 8.230 nan 0.000 0.482 373 G N 2.983 111.756 108.800 -0.044 0.000 2.153 373 G HA2 -0.358 3.606 3.960 0.005 0.000 0.252 373 G HA3 -0.358 3.606 3.960 0.005 0.000 0.252 373 G C 0.601 175.407 174.900 -0.156 0.000 0.994 373 G CA 0.471 45.509 45.100 -0.104 0.000 0.698 373 G HN 0.742 nan 8.290 nan 0.000 0.521 374 K N -0.117 120.129 120.400 -0.257 0.000 2.484 374 K HA 0.156 4.479 4.320 0.005 0.000 0.280 374 K C 1.726 178.131 176.600 -0.325 0.000 1.013 374 K CA 0.326 56.390 56.287 -0.371 0.000 1.029 374 K CB 0.462 32.572 32.500 -0.651 0.000 0.902 374 K HN 0.168 nan 8.250 nan 0.000 0.481 375 Q N 2.950 122.630 119.800 -0.199 0.000 2.173 375 Q HA -0.240 4.103 4.340 0.005 0.000 0.208 375 Q C 0.741 176.677 176.000 -0.106 0.000 0.989 375 Q CA 2.107 57.831 55.803 -0.131 0.000 0.872 375 Q CB 0.081 28.764 28.738 -0.091 0.000 0.909 375 Q HN 0.679 nan 8.270 nan 0.000 0.420 376 E N -1.262 118.864 120.200 -0.125 0.000 2.153 376 E HA -0.167 4.186 4.350 0.005 0.000 0.194 376 E C 1.829 178.492 176.600 0.105 0.000 0.988 376 E CA 1.351 57.740 56.400 -0.018 0.000 0.811 376 E CB -0.176 29.527 29.700 0.004 0.000 0.746 376 E HN 0.525 nan 8.360 nan 0.000 0.466 377 H N 0.117 119.183 119.070 -0.007 0.000 2.357 377 H HA 0.062 4.621 4.556 0.005 0.000 0.301 377 H C 1.942 177.215 175.328 -0.093 0.000 1.082 377 H CA 1.175 57.243 56.048 0.033 0.000 1.342 377 H CB -0.185 29.606 29.762 0.048 0.000 1.389 377 H HN 0.078 nan 8.280 nan 0.000 0.511 378 R N 0.406 120.880 120.500 -0.044 0.000 2.096 378 R HA -0.102 4.241 4.340 0.005 0.000 0.235 378 R C 1.629 177.872 176.300 -0.095 0.000 1.127 378 R CA 1.333 57.342 56.100 -0.152 0.000 0.968 378 R CB 0.034 30.249 30.300 -0.142 0.000 0.861 378 R HN 0.350 nan 8.270 nan 0.000 0.440 379 D N 0.769 121.146 120.400 -0.037 0.000 2.144 379 D HA -0.145 4.498 4.640 0.005 0.000 0.200 379 D C 1.861 178.156 176.300 -0.007 0.000 0.978 379 D CA 0.799 54.786 54.000 -0.023 0.000 0.833 379 D CB -0.157 40.640 40.800 -0.004 0.000 0.961 379 D HN 0.069 nan 8.370 nan 0.000 0.470 380 L N 1.241 122.494 121.223 0.049 0.000 2.017 380 L HA -0.083 4.260 4.340 0.005 0.000 0.208 380 L C 2.172 179.107 176.870 0.108 0.000 1.073 380 L CA 1.939 56.836 54.840 0.095 0.000 0.745 380 L CB -0.878 41.299 42.059 0.197 0.000 0.894 380 L HN -0.031 nan 8.230 nan 0.000 0.432 381 A N -0.352 122.510 122.820 0.070 0.000 1.940 381 A HA -0.276 4.047 4.320 0.005 0.000 0.219 381 A C 2.546 180.108 177.584 -0.038 0.000 1.176 381 A CA 1.931 53.953 52.037 -0.024 0.000 0.631 381 A CB -0.709 18.006 19.000 -0.474 0.000 0.814 381 A HN 0.553 nan 8.150 nan 0.000 0.446 382 R N -0.286 120.171 120.500 -0.071 0.000 2.081 382 R HA -0.174 4.169 4.340 0.005 0.000 0.235 382 R C 2.235 178.474 176.300 -0.102 0.000 1.131 382 R CA 1.765 57.818 56.100 -0.078 0.000 0.960 382 R CB -0.300 29.954 30.300 -0.077 0.000 0.856 382 R HN 0.726 nan 8.270 nan 0.000 0.436 383 E N -0.246 119.891 120.200 -0.106 0.000 2.051 383 E HA -0.201 4.152 4.350 0.005 0.000 0.192 383 E C 1.734 178.275 176.600 -0.098 0.000 0.991 383 E CA 1.262 57.564 56.400 -0.163 0.000 0.799 383 E CB -0.117 29.509 29.700 -0.123 0.000 0.748 383 E HN 0.483 nan 8.360 nan 0.000 0.449 384 A N 1.118 123.930 122.820 -0.014 0.000 1.930 384 A HA -0.042 4.281 4.320 0.005 0.000 0.217 384 A C 2.360 179.971 177.584 0.046 0.000 1.175 384 A CA 1.627 53.684 52.037 0.033 0.000 0.627 384 A CB -0.633 18.430 19.000 0.104 0.000 0.815 384 A HN 0.415 nan 8.150 nan 0.000 0.443 385 A N -0.148 122.690 122.820 0.031 0.000 1.877 385 A HA -0.178 4.145 4.320 0.005 0.000 0.216 385 A C 2.305 179.907 177.584 0.030 0.000 1.186 385 A CA 1.695 53.761 52.037 0.049 0.000 0.620 385 A CB -0.552 18.457 19.000 0.016 0.000 0.822 385 A HN 0.467 nan 8.150 nan 0.000 0.443 386 R N 0.335 120.805 120.500 -0.050 0.000 2.070 386 R HA -0.132 4.211 4.340 0.005 0.000 0.233 386 R C 1.831 178.094 176.300 -0.061 0.000 1.137 386 R CA 2.013 58.049 56.100 -0.106 0.000 0.945 386 R CB -0.439 29.717 30.300 -0.240 0.000 0.845 386 R HN 0.541 nan 8.270 nan 0.000 0.430 387 K N 0.489 120.860 120.400 -0.048 0.000 2.360 387 K HA -0.063 4.260 4.320 0.005 0.000 0.201 387 K C 1.925 178.581 176.600 0.094 0.000 1.046 387 K CA 1.471 57.763 56.287 0.008 0.000 0.945 387 K CB 0.005 32.502 32.500 -0.005 0.000 0.750 387 K HN 0.330 nan 8.250 nan 0.000 0.464 388 S N 0.508 116.291 115.700 0.138 0.000 2.501 388 S HA 0.058 4.531 4.470 0.005 0.000 0.220 388 S C 0.845 175.690 174.600 0.407 0.000 0.997 388 S CA -0.278 58.074 58.200 0.253 0.000 0.919 388 S CB -0.310 63.050 63.200 0.265 0.000 0.778 388 S HN 0.080 nan 8.310 nan 0.000 0.523 389 L N 2.453 123.848 121.223 0.288 0.000 2.490 389 L HA 0.280 4.623 4.340 0.005 0.000 0.274 389 L C -0.588 176.472 176.870 0.317 0.000 1.201 389 L CA -0.424 54.584 54.840 0.279 0.000 0.869 389 L CB 0.482 42.701 42.059 0.267 0.000 1.123 389 L HN 0.063 nan 8.230 nan 0.000 0.484 390 V N 4.671 124.692 119.914 0.180 0.000 2.407 390 V HA 0.219 4.342 4.120 0.005 0.000 0.291 390 V C -0.114 175.910 176.094 -0.118 0.000 1.018 390 V CA -0.573 61.793 62.300 0.110 0.000 0.842 390 V CB 1.768 33.706 31.823 0.192 0.000 0.996 390 V HN 0.429 nan 8.190 nan 0.000 0.426 391 L N 5.937 127.029 121.223 -0.218 0.000 2.369 391 L HA 0.352 4.695 4.340 0.005 0.000 0.279 391 L C 0.645 177.314 176.870 -0.334 0.000 1.108 391 L CA 0.746 55.298 54.840 -0.480 0.000 0.852 391 L CB 0.538 42.129 42.059 -0.781 0.000 1.169 391 L HN 0.614 nan 8.230 nan 0.000 0.452 392 L N 3.939 124.937 121.223 -0.375 0.000 2.515 392 L HA 0.301 4.644 4.340 0.005 0.000 0.223 392 L C 0.550 177.302 176.870 -0.197 0.000 1.079 392 L CA 0.072 54.666 54.840 -0.409 0.000 0.857 392 L CB -0.062 41.505 42.059 -0.820 0.000 1.050 392 L HN 0.604 nan 8.230 nan 0.000 0.476 393 K N 0.159 120.436 120.400 -0.205 0.000 2.557 393 K HA 0.249 4.573 4.320 0.005 0.000 0.257 393 K C -1.404 175.097 176.600 -0.166 0.000 0.933 393 K CA -0.457 55.758 56.287 -0.120 0.000 0.820 393 K CB 1.729 34.175 32.500 -0.091 0.000 1.330 393 K HN -0.249 nan 8.250 nan 0.000 0.432 394 N N 1.848 120.474 118.700 -0.123 0.000 2.673 394 N HA 0.337 5.080 4.740 0.005 0.000 0.265 394 N C -1.767 173.695 175.510 -0.079 0.000 1.709 394 N CA 0.357 53.328 53.050 -0.132 0.000 0.792 394 N CB 1.536 39.924 38.487 -0.164 0.000 1.286 394 N HN 0.868 nan 8.380 nan 0.000 0.506 395 G N 0.886 109.649 108.800 -0.063 0.000 2.312 395 G HA2 -0.024 3.939 3.960 0.005 0.000 0.322 395 G HA3 -0.024 3.939 3.960 0.005 0.000 0.322 395 G C 0.112 174.995 174.900 -0.030 0.000 1.645 395 G CA -0.702 44.374 45.100 -0.039 0.000 0.919 395 G HN 0.157 nan 8.290 nan 0.000 0.699 396 K N -0.618 119.768 120.400 -0.023 0.000 2.155 396 K HA 0.081 4.404 4.320 0.005 0.000 0.203 396 K C 1.535 178.126 176.600 -0.014 0.000 1.052 396 K CA 1.646 57.922 56.287 -0.018 0.000 0.948 396 K CB 0.084 32.576 32.500 -0.014 0.000 0.728 396 K HN 0.855 nan 8.250 nan 0.000 0.448 397 T N -3.137 111.410 114.554 -0.011 0.000 2.883 397 T HA 0.132 4.486 4.350 0.005 0.000 0.296 397 T C 1.043 175.740 174.700 -0.006 0.000 1.117 397 T CA -0.406 61.690 62.100 -0.007 0.000 1.006 397 T CB 1.777 70.642 68.868 -0.006 0.000 1.191 397 T HN 0.021 nan 8.240 nan 0.000 0.508 398 S N 0.529 116.227 115.700 -0.003 0.000 2.420 398 S HA -0.158 4.315 4.470 0.005 0.000 0.237 398 S C 1.772 176.371 174.600 -0.002 0.000 1.023 398 S CA 1.837 60.036 58.200 -0.001 0.000 0.991 398 S CB -1.430 61.771 63.200 0.001 0.000 0.792 398 S HN 1.128 nan 8.310 nan 0.000 0.488 399 T N -2.257 112.295 114.554 -0.002 0.000 3.060 399 T HA 0.232 4.586 4.350 0.005 0.000 0.249 399 T C 0.013 174.712 174.700 -0.001 0.000 1.079 399 T CA -0.241 61.859 62.100 -0.001 0.000 1.013 399 T CB -0.419 68.449 68.868 0.000 0.000 0.975 399 T HN 0.183 nan 8.240 nan 0.000 0.518 400 D N 2.378 122.776 120.400 -0.003 0.000 2.400 400 D HA 0.511 5.154 4.640 0.005 0.000 0.238 400 D C 0.212 176.509 176.300 -0.005 0.000 1.157 400 D CA 0.215 54.213 54.000 -0.004 0.000 0.889 400 D CB 0.643 41.439 40.800 -0.007 0.000 1.199 400 D HN 0.508 nan 8.370 nan 0.000 0.436 401 A N 2.300 125.118 122.820 -0.003 0.000 2.401 401 A HA 0.442 4.765 4.320 0.005 0.000 0.259 401 A C -2.131 175.445 177.584 -0.012 0.000 1.103 401 A CA -1.149 50.886 52.037 -0.003 0.000 0.789 401 A CB -0.051 18.951 19.000 0.003 0.000 1.035 401 A HN 0.366 nan 8.150 nan 0.000 0.491 402 P HA 0.068 nan 4.420 nan 0.000 0.266 402 P C 0.787 178.064 177.300 -0.038 0.000 1.215 402 P CA -0.302 62.779 63.100 -0.031 0.000 0.763 402 P CB 0.543 32.228 31.700 -0.026 0.000 0.806 403 L N 5.235 126.424 121.223 -0.056 0.000 2.046 403 L HA -0.036 4.307 4.340 0.005 0.000 0.208 403 L C 0.421 177.228 176.870 -0.105 0.000 1.077 403 L CA 1.768 56.563 54.840 -0.075 0.000 0.747 403 L CB -0.477 41.531 42.059 -0.084 0.000 0.896 403 L HN 0.239 nan 8.230 nan 0.000 0.432 404 L N 0.553 121.719 121.223 -0.095 0.000 2.325 404 L HA 0.393 4.736 4.340 0.005 0.000 0.279 404 L C -2.070 174.797 176.870 -0.005 0.000 1.054 404 L CA -2.136 52.666 54.840 -0.064 0.000 0.804 404 L CB 0.642 42.676 42.059 -0.041 0.000 1.200 404 L HN -0.046 nan 8.230 nan 0.000 0.436 405 P HA 0.228 nan 4.420 nan 0.000 0.274 405 P C -0.771 176.488 177.300 -0.069 0.000 1.231 405 P CA -0.324 62.778 63.100 0.004 0.000 0.790 405 P CB 0.644 32.371 31.700 0.045 0.000 0.951 406 L N 3.701 124.822 121.223 -0.169 0.000 2.399 406 L HA 0.422 4.766 4.340 0.005 0.000 0.266 406 L C -2.078 174.849 176.870 0.095 0.000 1.114 406 L CA -2.127 52.558 54.840 -0.259 0.000 0.804 406 L CB 0.614 42.247 42.059 -0.710 0.000 1.146 406 L HN 0.222 nan 8.230 nan 0.000 0.451 407 P HA 0.153 nan 4.420 nan 0.000 0.276 407 P C -0.410 177.092 177.300 0.337 0.000 1.230 407 P CA -0.370 62.868 63.100 0.231 0.000 0.776 407 P CB 0.694 32.521 31.700 0.211 0.000 0.888 408 K N 1.333 121.831 120.400 0.165 0.000 2.296 408 K HA -0.048 4.275 4.320 0.005 0.000 0.200 408 K C 0.766 177.379 176.600 0.022 0.000 1.048 408 K CA 0.877 57.136 56.287 -0.046 0.000 0.966 408 K CB 0.117 32.518 32.500 -0.166 0.000 0.754 408 K HN 0.341 nan 8.250 nan 0.000 0.466 409 K N 1.095 121.544 120.400 0.081 0.000 2.316 409 K HA 0.404 4.727 4.320 0.005 0.000 0.267 409 K C -1.605 175.062 176.600 0.111 0.000 1.025 409 K CA -0.350 55.978 56.287 0.068 0.000 0.896 409 K CB 1.329 33.853 32.500 0.040 0.000 1.124 409 K HN -0.009 nan 8.250 nan 0.000 0.451 410 A N 5.035 127.911 122.820 0.094 0.000 2.549 410 A HA 0.465 4.788 4.320 0.005 0.000 0.297 410 A C -2.534 175.064 177.584 0.023 0.000 1.061 410 A CA -1.387 50.697 52.037 0.078 0.000 0.690 410 A CB 1.485 20.539 19.000 0.091 0.000 1.287 410 A HN 0.542 nan 8.150 nan 0.000 0.402 411 P HA -0.085 nan 4.420 nan 0.000 0.215 411 P C 0.082 177.374 177.300 -0.014 0.000 1.153 411 P CA 1.516 64.612 63.100 -0.007 0.000 0.853 411 P CB 0.251 31.940 31.700 -0.018 0.000 0.788 412 K N -0.465 119.924 120.400 -0.018 0.000 2.570 412 K HA 0.411 4.735 4.320 0.005 0.000 0.256 412 K C -1.447 175.210 176.600 0.095 0.000 0.939 412 K CA -0.739 55.567 56.287 0.031 0.000 0.833 412 K CB 1.138 33.615 32.500 -0.039 0.000 1.318 412 K HN -0.074 nan 8.250 nan 0.000 0.433 413 I N 0.936 121.579 120.570 0.120 0.000 2.934 413 I HA 0.613 4.786 4.170 0.005 0.000 0.306 413 I C -1.708 174.365 176.117 -0.073 0.000 1.110 413 I CA -1.323 59.939 61.300 -0.064 0.000 1.019 413 I CB 1.915 39.694 38.000 -0.368 0.000 1.227 413 I HN 0.498 nan 8.210 nan 0.000 0.434 414 L N 4.924 125.865 121.223 -0.469 0.000 2.329 414 L HA 0.715 5.058 4.340 0.005 0.000 0.279 414 L C -1.126 175.637 176.870 -0.178 0.000 1.014 414 L CA -0.432 54.027 54.840 -0.636 0.000 0.814 414 L CB 1.785 43.040 42.059 -1.339 0.000 1.257 414 L HN 0.541 nan 8.230 nan 0.000 0.424 415 V N 5.121 125.025 119.914 -0.017 0.000 2.444 415 V HA 0.942 5.065 4.120 0.005 0.000 0.294 415 V C -0.102 176.098 176.094 0.177 0.000 1.022 415 V CA 0.042 62.422 62.300 0.133 0.000 0.850 415 V CB 0.998 32.956 31.823 0.226 0.000 0.992 415 V HN 1.045 nan 8.190 nan 0.000 0.426 416 A N 3.478 126.369 122.820 0.117 0.000 2.564 416 A HA 1.076 5.399 4.320 0.005 0.000 0.288 416 A C -0.059 177.600 177.584 0.125 0.000 1.164 416 A CA -0.287 51.782 52.037 0.054 0.000 0.712 416 A CB 1.903 20.854 19.000 -0.081 0.000 1.303 416 A HN 2.216 nan 8.150 nan 0.000 0.418 417 G N -1.150 107.707 108.800 0.095 0.000 2.539 417 G HA2 0.363 4.327 3.960 0.005 0.000 0.686 417 G HA3 0.363 4.327 3.960 0.005 0.000 0.686 417 G C 0.500 175.542 174.900 0.236 0.000 1.258 417 G CA 0.469 45.659 45.100 0.151 0.000 0.846 417 G HN 2.094 nan 8.290 nan 0.000 0.647 418 S N -0.661 115.212 115.700 0.288 0.000 2.447 418 S HA -0.073 4.400 4.470 0.005 0.000 0.233 418 S C 1.406 176.198 174.600 0.319 0.000 1.006 418 S CA 2.045 60.441 58.200 0.326 0.000 0.957 418 S CB -0.142 63.324 63.200 0.443 0.000 0.773 418 S HN 0.821 nan 8.310 nan 0.000 0.507 419 H N 0.385 119.588 119.070 0.221 0.000 2.652 419 H HA 0.616 5.175 4.556 0.005 0.000 0.274 419 H C 1.994 177.390 175.328 0.113 0.000 1.021 419 H CA 0.021 56.194 56.048 0.208 0.000 1.187 419 H CB -0.123 29.768 29.762 0.216 0.000 1.505 419 H HN 0.484 nan 8.280 nan 0.000 0.530 420 A N 0.200 123.157 122.820 0.230 0.000 1.969 420 A HA -0.118 4.205 4.320 0.005 0.000 0.218 420 A C 0.788 178.363 177.584 -0.014 0.000 1.169 420 A CA 1.902 54.029 52.037 0.150 0.000 0.635 420 A CB 0.085 19.250 19.000 0.276 0.000 0.810 420 A HN 0.314 nan 8.150 nan 0.000 0.445 421 D N -1.141 119.201 120.400 -0.096 0.000 2.945 421 D HA 0.154 4.797 4.640 0.005 0.000 0.369 421 D C -1.002 175.174 176.300 -0.206 0.000 1.294 421 D CA -0.322 53.531 54.000 -0.246 0.000 0.778 421 D CB -0.169 40.278 40.800 -0.589 0.000 1.188 421 D HN 0.132 nan 8.370 nan 0.000 0.479 422 N N 1.939 120.530 118.700 -0.182 0.000 2.609 422 N HA 0.076 4.819 4.740 0.005 0.000 0.268 422 N C 0.526 175.929 175.510 -0.179 0.000 1.106 422 N CA -0.436 52.436 53.050 -0.297 0.000 0.823 422 N CB 1.144 39.252 38.487 -0.632 0.000 1.263 422 N HN 0.167 nan 8.380 nan 0.000 0.533 423 L N 3.782 124.926 121.223 -0.132 0.000 2.079 423 L HA 0.091 4.434 4.340 0.005 0.000 0.210 423 L C 1.994 178.845 176.870 -0.032 0.000 1.081 423 L CA 2.238 57.036 54.840 -0.070 0.000 0.752 423 L CB -0.658 41.359 42.059 -0.070 0.000 0.896 423 L HN 0.643 nan 8.230 nan 0.000 0.433 424 G N -1.811 106.960 108.800 -0.049 0.000 2.418 424 G HA2 -0.301 3.662 3.960 0.005 0.000 0.217 424 G HA3 -0.301 3.662 3.960 0.005 0.000 0.217 424 G C 1.371 176.354 174.900 0.140 0.000 1.158 424 G CA 0.794 45.912 45.100 0.030 0.000 0.771 424 G HN 0.400 nan 8.290 nan 0.000 0.545 425 Y N 0.574 120.798 120.300 -0.126 0.000 2.224 425 Y HA -0.072 4.481 4.550 0.005 0.000 0.289 425 Y C 2.867 178.759 175.900 -0.014 0.000 1.146 425 Y CA 0.857 58.869 58.100 -0.146 0.000 1.182 425 Y CB -0.844 37.355 38.460 -0.435 0.000 0.983 425 Y HN 0.341 nan 8.280 nan 0.000 0.524 426 Q N -1.003 118.896 119.800 0.165 0.000 2.167 426 Q HA -0.155 4.189 4.340 0.005 0.000 0.202 426 Q C 1.945 178.002 176.000 0.096 0.000 0.970 426 Q CA 1.716 57.595 55.803 0.127 0.000 0.855 426 Q CB -0.085 28.694 28.738 0.069 0.000 0.911 426 Q HN 0.469 nan 8.270 nan 0.000 0.438 427 C N -0.530 118.818 119.300 0.081 0.000 2.527 427 C HA 0.380 4.843 4.460 0.005 0.000 0.280 427 C C 1.350 176.420 174.990 0.135 0.000 1.353 427 C CA 0.232 59.308 59.018 0.097 0.000 1.749 427 C CB -0.799 26.986 27.740 0.074 0.000 2.088 427 C HN 0.830 nan 8.230 nan 0.000 0.508 428 G N 0.264 109.090 108.800 0.043 0.000 2.645 428 G HA2 0.133 4.096 3.960 0.005 0.000 0.239 428 G HA3 0.133 4.096 3.960 0.005 0.000 0.239 428 G C 0.157 175.001 174.900 -0.093 0.000 1.331 428 G CA -0.432 44.588 45.100 -0.133 0.000 0.890 428 G HN 0.898 nan 8.290 nan 0.000 0.572 429 G N -2.507 106.085 108.800 -0.347 0.000 2.732 429 G HA2 0.425 4.388 3.960 0.005 0.000 0.244 429 G HA3 0.425 4.388 3.960 0.005 0.000 0.244 429 G C 0.505 175.541 174.900 0.226 0.000 1.226 429 G CA 0.844 45.834 45.100 -0.183 0.000 0.860 429 G HN 1.830 nan 8.290 nan 0.000 0.583 430 W N -1.474 119.898 121.300 0.119 0.000 6.111 430 W HA -0.169 4.494 4.660 0.006 0.000 0.409 430 W C 0.268 177.009 176.519 0.369 0.000 1.586 430 W CA 0.627 58.126 57.345 0.255 0.000 1.027 430 W CB -1.897 27.729 29.460 0.276 0.000 2.784 430 W HN 0.594 nan 8.180 nan 0.000 1.485 431 T N 0.931 115.724 114.554 0.400 0.000 3.066 431 T HA 0.404 4.757 4.350 0.005 0.000 0.318 431 T C 0.758 175.582 174.700 0.206 0.000 0.979 431 T CA -0.261 62.016 62.100 0.294 0.000 1.025 431 T CB 1.591 70.590 68.868 0.217 0.000 1.002 431 T HN 0.089 nan 8.240 nan 0.000 0.453 432 I N -0.401 120.297 120.570 0.213 0.000 4.497 432 I HA -0.248 3.925 4.170 0.005 0.000 0.059 432 I C 0.696 176.947 176.117 0.223 0.000 0.607 432 I CA 1.702 63.128 61.300 0.210 0.000 0.958 432 I CB -1.326 36.779 38.000 0.175 0.000 0.864 432 I HN 0.524 nan 8.210 nan 0.000 0.166 433 E N -0.161 120.150 120.200 0.185 0.000 2.239 433 E HA 0.114 4.467 4.350 0.005 0.000 0.261 433 E C 0.502 177.211 176.600 0.182 0.000 1.016 433 E CA -0.386 56.117 56.400 0.173 0.000 0.882 433 E CB 0.731 30.500 29.700 0.115 0.000 1.190 433 E HN 0.345 nan 8.360 nan 0.000 0.415 434 W N 1.854 123.105 121.300 -0.082 0.000 2.353 434 W HA -0.140 4.523 4.660 0.005 0.000 0.319 434 W C 1.318 177.586 176.519 -0.418 0.000 1.207 434 W CA 1.427 58.584 57.345 -0.313 0.000 1.291 434 W CB 0.010 29.264 29.460 -0.344 0.000 1.159 434 W HN 0.350 nan 8.180 nan 0.000 0.478 435 Q N 1.078 120.663 119.800 -0.357 0.000 2.431 435 Q HA 0.229 4.573 4.340 0.005 0.000 0.210 435 Q C 0.989 176.840 176.000 -0.250 0.000 0.958 435 Q CA 1.086 56.584 55.803 -0.509 0.000 0.957 435 Q CB -0.677 27.847 28.738 -0.357 0.000 1.007 435 Q HN 0.408 nan 8.270 nan 0.000 0.511 436 G N 1.069 109.793 108.800 -0.127 0.000 2.782 436 G HA2 -0.191 3.772 3.960 0.005 0.000 0.228 436 G HA3 -0.191 3.772 3.960 0.005 0.000 0.228 436 G C -0.762 174.144 174.900 0.010 0.000 1.372 436 G CA -0.083 45.003 45.100 -0.024 0.000 0.862 436 G HN 0.315 nan 8.290 nan 0.000 0.547 437 D N -2.329 118.097 120.400 0.044 0.000 2.692 437 D HA 0.691 5.334 4.640 0.005 0.000 0.303 437 D C -0.391 175.957 176.300 0.080 0.000 1.278 437 D CA 0.527 54.559 54.000 0.054 0.000 0.852 437 D CB 1.777 42.609 40.800 0.053 0.000 1.375 437 D HN 0.694 nan 8.370 nan 0.000 0.453 438 T N -0.569 114.013 114.554 0.047 0.000 2.895 438 T HA 0.682 5.035 4.350 0.005 0.000 0.283 438 T C 0.277 174.899 174.700 -0.130 0.000 1.014 438 T CA 1.049 63.118 62.100 -0.051 0.000 1.037 438 T CB 0.588 69.420 68.868 -0.060 0.000 1.006 438 T HN 0.802 nan 8.240 nan 0.000 0.468 439 G N 2.869 111.524 108.800 -0.241 0.000 2.627 439 G HA2 -0.154 3.809 3.960 0.005 0.000 0.214 439 G HA3 -0.154 3.809 3.960 0.005 0.000 0.214 439 G C -0.341 174.498 174.900 -0.101 0.000 1.331 439 G CA -0.206 44.793 45.100 -0.168 0.000 0.891 439 G HN 0.913 nan 8.290 nan 0.000 0.539 440 R N 0.668 121.129 120.500 -0.065 0.000 3.710 440 R HA 0.423 4.766 4.340 0.005 0.000 0.201 440 R C 1.979 178.297 176.300 0.029 0.000 1.641 440 R CA 0.903 56.986 56.100 -0.027 0.000 1.390 440 R CB -0.671 29.615 30.300 -0.023 0.000 1.341 440 R HN 0.814 nan 8.270 nan 0.000 0.728 441 T N -2.107 112.469 114.554 0.036 0.000 3.113 441 T HA 0.023 4.376 4.350 0.005 0.000 0.256 441 T C 0.815 175.621 174.700 0.176 0.000 1.131 441 T CA 0.690 62.849 62.100 0.098 0.000 1.074 441 T CB 0.289 69.204 68.868 0.079 0.000 0.944 441 T HN 0.362 nan 8.240 nan 0.000 0.516 442 T N -0.390 114.210 114.554 0.078 0.000 2.653 442 T HA 0.470 4.823 4.350 0.005 0.000 0.306 442 T C -1.756 172.828 174.700 -0.194 0.000 1.426 442 T CA -0.567 61.471 62.100 -0.105 0.000 1.008 442 T CB 1.262 70.016 68.868 -0.190 0.000 1.692 442 T HN -0.061 nan 8.240 nan 0.000 0.483 443 V N 1.910 121.591 119.914 -0.387 0.000 2.461 443 V HA 0.720 4.843 4.120 0.005 0.000 0.275 443 V C 1.024 177.006 176.094 -0.187 0.000 1.047 443 V CA 0.877 63.028 62.300 -0.249 0.000 0.955 443 V CB 0.273 31.925 31.823 -0.286 0.000 0.988 443 V HN 1.166 nan 8.190 nan 0.000 0.471 444 G N 3.612 112.334 108.800 -0.129 0.000 2.428 444 G HA2 0.559 4.523 3.960 0.005 0.000 0.304 444 G HA3 0.559 4.523 3.960 0.005 0.000 0.304 444 G C -1.082 173.765 174.900 -0.087 0.000 1.303 444 G CA -0.428 44.602 45.100 -0.117 0.000 0.825 444 G HN 0.475 nan 8.290 nan 0.000 0.484 445 T N 1.053 115.561 114.554 -0.078 0.000 2.881 445 T HA 0.616 4.970 4.350 0.005 0.000 0.291 445 T C 0.543 175.212 174.700 -0.052 0.000 0.990 445 T CA 0.035 62.099 62.100 -0.060 0.000 0.976 445 T CB 1.214 70.053 68.868 -0.048 0.000 0.970 445 T HN 1.026 nan 8.240 nan 0.000 0.438 446 T N 0.629 115.147 114.554 -0.059 0.000 2.732 446 T HA 0.459 4.813 4.350 0.005 0.000 0.287 446 T C 1.682 176.365 174.700 -0.027 0.000 0.993 446 T CA -0.731 61.337 62.100 -0.054 0.000 0.966 446 T CB 0.397 69.207 68.868 -0.098 0.000 1.047 446 T HN 0.430 nan 8.240 nan 0.000 0.527 447 I N 0.248 120.815 120.570 -0.006 0.000 2.226 447 I HA -0.073 4.100 4.170 0.005 0.000 0.245 447 I C 2.409 178.541 176.117 0.025 0.000 1.100 447 I CA 1.008 62.326 61.300 0.030 0.000 1.374 447 I CB -0.482 37.553 38.000 0.058 0.000 1.057 447 I HN 0.524 nan 8.210 nan 0.000 0.413 448 L N 1.135 122.336 121.223 -0.036 0.000 1.989 448 L HA -0.245 4.098 4.340 0.005 0.000 0.211 448 L C 2.344 179.191 176.870 -0.038 0.000 1.071 448 L CA 1.972 56.773 54.840 -0.064 0.000 0.749 448 L CB -0.774 41.120 42.059 -0.276 0.000 0.890 448 L HN 0.213 nan 8.230 nan 0.000 0.431 449 E N -0.289 119.872 120.200 -0.066 0.000 2.085 449 E HA -0.256 4.098 4.350 0.005 0.000 0.194 449 E C 2.163 178.761 176.600 -0.005 0.000 0.994 449 E CA 1.296 57.670 56.400 -0.043 0.000 0.801 449 E CB -0.412 29.254 29.700 -0.056 0.000 0.743 449 E HN 0.684 nan 8.360 nan 0.000 0.453 450 A N 0.952 123.781 122.820 0.015 0.000 1.908 450 A HA -0.164 4.160 4.320 0.005 0.000 0.218 450 A C 2.518 180.159 177.584 0.095 0.000 1.181 450 A CA 1.306 53.373 52.037 0.050 0.000 0.627 450 A CB -0.673 18.366 19.000 0.065 0.000 0.818 450 A HN 0.124 nan 8.150 nan 0.000 0.445 451 V N 0.154 120.150 119.914 0.135 0.000 2.295 451 V HA -0.276 3.848 4.120 0.005 0.000 0.246 451 V C 2.412 178.550 176.094 0.074 0.000 1.049 451 V CA 2.354 64.781 62.300 0.212 0.000 1.024 451 V CB -0.676 31.299 31.823 0.254 0.000 0.648 451 V HN 0.551 nan 8.190 nan 0.000 0.447 452 K N 0.347 120.774 120.400 0.045 0.000 2.147 452 K HA -0.079 4.244 4.320 0.005 0.000 0.205 452 K C 1.986 178.575 176.600 -0.019 0.000 1.049 452 K CA 1.406 57.699 56.287 0.011 0.000 0.936 452 K CB -0.299 32.205 32.500 0.007 0.000 0.722 452 K HN 0.488 nan 8.250 nan 0.000 0.446 453 A N 0.351 123.161 122.820 -0.017 0.000 2.251 453 A HA 0.210 4.533 4.320 0.005 0.000 0.209 453 A C 1.857 179.407 177.584 -0.056 0.000 1.187 453 A CA 0.978 52.998 52.037 -0.029 0.000 0.823 453 A CB -0.056 18.935 19.000 -0.015 0.000 0.846 453 A HN 0.280 nan 8.150 nan 0.000 0.486 454 A N -0.334 122.422 122.820 -0.106 0.000 2.013 454 A HA 0.432 4.756 4.320 0.005 0.000 0.204 454 A C 1.144 178.523 177.584 -0.341 0.000 1.262 454 A CA 0.720 52.627 52.037 -0.217 0.000 0.800 454 A CB -0.830 18.005 19.000 -0.275 0.000 0.909 454 A HN 0.861 nan 8.150 nan 0.000 0.472 455 V N -0.375 119.326 119.914 -0.354 0.000 3.096 455 V HA 0.191 4.315 4.120 0.005 0.000 0.306 455 V C 0.205 176.212 176.094 -0.146 0.000 1.088 455 V CA -0.763 61.362 62.300 -0.292 0.000 1.129 455 V CB 0.256 31.981 31.823 -0.164 0.000 1.014 455 V HN 0.437 nan 8.190 nan 0.000 0.486 456 D N 2.935 123.275 120.400 -0.101 0.000 2.399 456 D HA 0.132 4.775 4.640 0.005 0.000 0.241 456 D C -1.641 174.638 176.300 -0.035 0.000 1.133 456 D CA -1.184 52.784 54.000 -0.054 0.000 0.890 456 D CB 1.768 42.551 40.800 -0.029 0.000 1.201 456 D HN 0.417 nan 8.370 nan 0.000 0.432 457 P HA -0.175 nan 4.420 nan 0.000 0.217 457 P C 1.259 178.554 177.300 -0.009 0.000 1.148 457 P CA 1.488 64.578 63.100 -0.017 0.000 0.834 457 P CB 0.044 31.735 31.700 -0.015 0.000 0.783 458 S N -3.085 112.611 115.700 -0.007 0.000 2.522 458 S HA 0.001 4.474 4.470 0.005 0.000 0.227 458 S C 0.881 175.483 174.600 0.003 0.000 0.986 458 S CA 0.386 58.585 58.200 -0.002 0.000 0.929 458 S CB -1.361 61.839 63.200 -0.000 0.000 0.769 458 S HN 0.022 nan 8.310 nan 0.000 0.529 459 T N 3.445 118.001 114.554 0.003 0.000 2.738 459 T HA 0.379 4.732 4.350 0.005 0.000 0.293 459 T C -0.167 174.545 174.700 0.020 0.000 0.913 459 T CA -0.323 61.784 62.100 0.012 0.000 1.103 459 T CB 0.892 69.769 68.868 0.014 0.000 0.880 459 T HN 0.107 nan 8.240 nan 0.000 0.526 460 V N 5.194 125.124 119.914 0.027 0.000 2.555 460 V HA 0.204 4.327 4.120 0.005 0.000 0.286 460 V C 0.311 176.453 176.094 0.079 0.000 1.044 460 V CA -0.421 61.907 62.300 0.046 0.000 1.026 460 V CB 1.147 32.994 31.823 0.039 0.000 0.981 460 V HN 0.624 nan 8.190 nan 0.000 0.480 461 V N 6.164 126.134 119.914 0.094 0.000 2.378 461 V HA 0.399 4.523 4.120 0.005 0.000 0.288 461 V C -0.116 176.079 176.094 0.168 0.000 1.016 461 V CA -0.538 61.836 62.300 0.123 0.000 0.840 461 V CB 1.686 33.571 31.823 0.103 0.000 0.994 461 V HN 0.597 nan 8.190 nan 0.000 0.431 462 V N 5.622 125.670 119.914 0.222 0.000 2.435 462 V HA 0.484 4.607 4.120 0.005 0.000 0.290 462 V C -0.502 175.747 176.094 0.258 0.000 1.030 462 V CA -0.553 61.912 62.300 0.275 0.000 0.881 462 V CB 1.664 33.750 31.823 0.439 0.000 0.983 462 V HN 0.699 nan 8.190 nan 0.000 0.445 463 F N 4.176 124.186 119.950 0.101 0.000 2.443 463 F HA 0.824 5.354 4.527 0.006 0.000 0.335 463 F C 0.042 175.855 175.800 0.023 0.000 1.104 463 F CA -1.010 57.017 58.000 0.044 0.000 1.013 463 F CB 1.487 40.504 39.000 0.027 0.000 1.136 463 F HN 0.560 nan 8.300 nan 0.000 0.470 464 A N 5.570 127.789 122.820 -1.003 0.000 2.547 464 A HA 0.300 4.624 4.320 0.005 0.000 0.279 464 A C 0.499 177.520 177.584 -0.939 0.000 1.088 464 A CA -0.423 51.057 52.037 -0.928 0.000 0.796 464 A CB 0.625 19.215 19.000 -0.684 0.000 1.308 464 A HN 0.940 nan 8.150 nan 0.000 0.415 465 E N 1.965 121.589 120.200 -0.959 0.000 2.058 465 E HA -0.147 4.207 4.350 0.005 0.000 0.194 465 E C 0.020 176.484 176.600 -0.227 0.000 0.997 465 E CA 1.225 57.368 56.400 -0.428 0.000 0.801 465 E CB 0.047 29.641 29.700 -0.176 0.000 0.746 465 E HN 0.654 nan 8.360 nan 0.000 0.450 466 N N 1.024 119.572 118.700 -0.253 0.000 2.711 466 N HA 0.208 4.952 4.740 0.005 0.000 0.263 466 N C -2.714 172.668 175.510 -0.212 0.000 1.667 466 N CA -0.744 52.207 53.050 -0.166 0.000 0.785 466 N CB 1.695 40.128 38.487 -0.089 0.000 1.231 466 N HN 0.059 nan 8.380 nan 0.000 0.503 467 P HA 0.141 nan 4.420 nan 0.000 0.275 467 P C -0.346 176.906 177.300 -0.080 0.000 1.227 467 P CA -0.129 62.782 63.100 -0.315 0.000 0.781 467 P CB 0.689 32.167 31.700 -0.370 0.000 0.906 468 D N 0.662 121.054 120.400 -0.015 0.000 2.383 468 D HA 0.299 4.942 4.640 0.005 0.000 0.248 468 D C 1.211 177.576 176.300 0.108 0.000 1.170 468 D CA -0.669 53.357 54.000 0.043 0.000 0.977 468 D CB 0.156 40.983 40.800 0.045 0.000 1.120 468 D HN 0.245 nan 8.370 nan 0.000 0.481 469 A N -0.013 122.857 122.820 0.084 0.000 1.917 469 A HA -0.297 4.027 4.320 0.005 0.000 0.219 469 A C 2.012 179.668 177.584 0.120 0.000 1.182 469 A CA 2.038 54.131 52.037 0.094 0.000 0.633 469 A CB -1.081 17.956 19.000 0.062 0.000 0.819 469 A HN 0.796 nan 8.150 nan 0.000 0.448 470 E N -1.364 118.904 120.200 0.113 0.000 2.058 470 E HA -0.219 4.135 4.350 0.005 0.000 0.194 470 E C 1.746 178.430 176.600 0.140 0.000 0.997 470 E CA 1.414 57.876 56.400 0.103 0.000 0.801 470 E CB -0.279 29.472 29.700 0.085 0.000 0.746 470 E HN 0.647 nan 8.360 nan 0.000 0.450 471 F N 0.553 120.530 119.950 0.044 0.000 2.192 471 F HA -0.234 4.296 4.527 0.005 0.000 0.301 471 F C 1.796 177.679 175.800 0.138 0.000 1.079 471 F CA 1.257 59.298 58.000 0.068 0.000 1.303 471 F CB -0.098 38.938 39.000 0.059 0.000 1.024 471 F HN -0.101 nan 8.300 nan 0.000 0.494 472 V N 0.523 120.643 119.914 0.344 0.000 2.302 472 V HA -0.220 3.903 4.120 0.005 0.000 0.243 472 V C 2.356 178.551 176.094 0.168 0.000 1.036 472 V CA 1.881 64.381 62.300 0.333 0.000 1.020 472 V CB -0.715 31.278 31.823 0.283 0.000 0.657 472 V HN 0.188 nan 8.190 nan 0.000 0.453 473 K N 1.231 121.690 120.400 0.098 0.000 2.160 473 K HA -0.152 4.171 4.320 0.005 0.000 0.206 473 K C 1.933 178.514 176.600 -0.032 0.000 1.047 473 K CA 1.918 58.229 56.287 0.040 0.000 0.930 473 K CB -0.288 32.232 32.500 0.033 0.000 0.720 473 K HN 0.642 nan 8.250 nan 0.000 0.450 474 S N -0.965 114.683 115.700 -0.087 0.000 2.557 474 S HA 0.118 4.591 4.470 0.005 0.000 0.223 474 S C 1.585 175.995 174.600 -0.317 0.000 0.969 474 S CA -0.056 58.047 58.200 -0.161 0.000 0.927 474 S CB 0.911 64.036 63.200 -0.126 0.000 0.806 474 S HN 0.302 nan 8.310 nan 0.000 0.489 475 G N 1.561 110.094 108.800 -0.444 0.000 2.650 475 G HA2 0.380 4.343 3.960 0.005 0.000 0.214 475 G HA3 0.380 4.343 3.960 0.005 0.000 0.214 475 G C 1.114 175.367 174.900 -1.079 0.000 1.136 475 G CA 0.010 44.552 45.100 -0.930 0.000 0.789 475 G HN 1.286 nan 8.290 nan 0.000 0.536 476 G N -0.596 107.836 108.800 -0.614 0.000 2.272 476 G HA2 -0.245 3.718 3.960 0.005 0.000 0.280 476 G HA3 -0.245 3.718 3.960 0.005 0.000 0.280 476 G C -0.065 174.576 174.900 -0.432 0.000 1.067 476 G CA -0.173 44.673 45.100 -0.423 0.000 0.902 476 G HN 0.262 nan 8.290 nan 0.000 0.500 477 F N 0.055 119.955 119.950 -0.083 0.000 2.379 477 F HA 0.576 5.107 4.527 0.005 0.000 0.332 477 F C 1.571 177.325 175.800 -0.076 0.000 1.096 477 F CA -0.284 57.661 58.000 -0.092 0.000 1.105 477 F CB 1.752 40.710 39.000 -0.070 0.000 1.189 477 F HN 0.006 nan 8.300 nan 0.000 0.515 478 S N 0.768 116.510 115.700 0.070 0.000 2.458 478 S HA 0.080 4.554 4.470 0.005 0.000 0.223 478 S C -0.857 173.846 174.600 0.171 0.000 1.019 478 S CA 0.528 58.763 58.200 0.058 0.000 0.937 478 S CB -0.181 63.023 63.200 0.007 0.000 0.788 478 S HN 0.636 nan 8.310 nan 0.000 0.511 479 Y N -1.917 118.470 120.300 0.145 0.000 2.814 479 Y HA 0.725 5.278 4.550 0.005 0.000 0.348 479 Y C -1.343 174.578 175.900 0.036 0.000 1.245 479 Y CA -1.976 56.174 58.100 0.082 0.000 1.086 479 Y CB 0.384 38.882 38.460 0.063 0.000 1.373 479 Y HN -0.065 nan 8.280 nan 0.000 0.451 480 A N 1.102 124.108 122.820 0.310 0.000 2.539 480 A HA 0.845 5.168 4.320 0.005 0.000 0.296 480 A C -1.884 175.793 177.584 0.154 0.000 1.073 480 A CA -0.848 51.266 52.037 0.129 0.000 0.700 480 A CB 1.372 20.349 19.000 -0.039 0.000 1.296 480 A HN 0.752 nan 8.150 nan 0.000 0.405 481 I N 1.915 122.553 120.570 0.113 0.000 2.382 481 I HA 0.438 4.612 4.170 0.005 0.000 0.286 481 I C -0.936 175.216 176.117 0.058 0.000 1.002 481 I CA -0.801 60.544 61.300 0.075 0.000 1.135 481 I CB 1.850 39.905 38.000 0.092 0.000 1.288 481 I HN 0.322 nan 8.210 nan 0.000 0.448 482 V N 5.249 125.185 119.914 0.036 0.000 2.495 482 V HA 0.732 4.856 4.120 0.005 0.000 0.298 482 V C 0.125 176.245 176.094 0.044 0.000 1.031 482 V CA -0.597 61.728 62.300 0.042 0.000 0.871 482 V CB 1.624 33.458 31.823 0.019 0.000 0.988 482 V HN 0.793 nan 8.190 nan 0.000 0.432 483 A N 4.927 127.798 122.820 0.084 0.000 2.304 483 A HA 0.936 5.260 4.320 0.005 0.000 0.314 483 A C -0.532 177.107 177.584 0.091 0.000 1.187 483 A CA -0.493 51.596 52.037 0.086 0.000 0.810 483 A CB 1.450 20.538 19.000 0.146 0.000 1.183 483 A HN 1.457 nan 8.150 nan 0.000 0.487 484 V N -0.308 119.559 119.914 -0.078 0.000 3.181 484 V HA 1.076 5.199 4.120 0.005 0.000 0.308 484 V C 0.137 175.841 176.094 -0.651 0.000 1.214 484 V CA -0.047 62.106 62.300 -0.245 0.000 1.053 484 V CB 1.229 33.013 31.823 -0.065 0.000 1.069 484 V HN 2.288 nan 8.190 nan 0.000 0.441 485 G N 0.331 108.657 108.800 -0.792 0.000 2.344 485 G HA2 0.330 4.294 3.960 0.005 0.000 0.282 485 G HA3 0.330 4.294 3.960 0.005 0.000 0.282 485 G C -1.280 173.544 174.900 -0.127 0.000 1.281 485 G CA -0.501 44.306 45.100 -0.489 0.000 0.877 485 G HN 0.947 nan 8.290 nan 0.000 0.494 486 E N -0.240 119.978 120.200 0.031 0.000 2.392 486 E HA 0.366 4.719 4.350 0.005 0.000 0.256 486 E C -0.303 176.415 176.600 0.197 0.000 1.145 486 E CA -0.178 56.288 56.400 0.109 0.000 0.929 486 E CB 0.593 30.413 29.700 0.201 0.000 0.998 486 E HN 0.485 nan 8.360 nan 0.000 0.442 487 H N 0.328 119.359 119.070 -0.066 0.000 2.496 487 H HA 0.233 4.792 4.556 0.005 0.000 0.342 487 H C -2.058 173.183 175.328 -0.145 0.000 1.170 487 H CA -2.543 53.317 56.048 -0.313 0.000 1.274 487 H CB 0.995 30.603 29.762 -0.258 0.000 1.538 487 H HN 0.253 nan 8.280 nan 0.000 0.542 488 P HA -0.076 nan 4.420 nan 0.000 0.265 488 P C -1.383 175.861 177.300 -0.093 0.000 1.187 488 P CA 0.700 63.690 63.100 -0.184 0.000 0.766 488 P CB 0.195 31.838 31.700 -0.096 0.000 0.820 489 Y N -1.683 118.514 120.300 -0.172 0.000 2.604 489 Y HA 0.719 5.273 4.550 0.006 0.000 0.331 489 Y C -1.239 174.513 175.900 -0.247 0.000 1.158 489 Y CA -1.025 56.948 58.100 -0.212 0.000 1.056 489 Y CB 0.408 38.782 38.460 -0.142 0.000 1.330 489 Y HN 0.204 nan 8.280 nan 0.000 0.457 490 T N 2.080 116.473 114.554 -0.268 0.000 2.909 490 T HA 0.470 4.823 4.350 0.005 0.000 0.299 490 T C -0.593 173.830 174.700 -0.461 0.000 1.073 490 T CA -0.329 61.467 62.100 -0.507 0.000 0.999 490 T CB 2.347 70.442 68.868 -1.288 0.000 1.098 490 T HN 0.921 nan 8.240 nan 0.000 0.477 491 E N 0.367 120.399 120.200 -0.281 0.000 3.500 491 E HA -0.301 4.053 4.350 0.005 0.000 0.337 491 E C 1.267 177.789 176.600 -0.130 0.000 1.533 491 E CA 1.602 57.920 56.400 -0.137 0.000 1.949 491 E CB -1.256 28.489 29.700 0.076 0.000 1.853 491 E HN 0.721 nan 8.360 nan 0.000 0.459 492 T N 0.921 115.450 114.554 -0.043 0.000 2.778 492 T HA -0.174 4.179 4.350 0.005 0.000 0.269 492 T C 1.498 176.140 174.700 -0.097 0.000 1.050 492 T CA 1.523 63.604 62.100 -0.033 0.000 1.137 492 T CB -0.124 68.749 68.868 0.009 0.000 0.860 492 T HN 0.175 nan 8.240 nan 0.000 0.468 493 K N 0.721 121.029 120.400 -0.153 0.000 2.281 493 K HA -0.029 4.294 4.320 0.005 0.000 0.203 493 K C 2.401 178.876 176.600 -0.208 0.000 1.046 493 K CA 1.091 57.281 56.287 -0.162 0.000 0.938 493 K CB -0.659 31.716 32.500 -0.208 0.000 0.737 493 K HN 0.491 nan 8.250 nan 0.000 0.458 494 G N 0.764 109.420 108.800 -0.239 0.000 2.551 494 G HA2 -0.103 3.860 3.960 0.005 0.000 0.216 494 G HA3 -0.103 3.860 3.960 0.005 0.000 0.216 494 G C 0.098 174.731 174.900 -0.445 0.000 1.137 494 G CA -0.195 44.582 45.100 -0.538 0.000 0.798 494 G HN 0.200 nan 8.290 nan 0.000 0.536 495 D N 1.046 121.320 120.400 -0.211 0.000 2.531 495 D HA 0.087 4.730 4.640 0.005 0.000 0.239 495 D C -0.126 176.085 176.300 -0.149 0.000 1.144 495 D CA 0.684 54.620 54.000 -0.107 0.000 0.869 495 D CB 0.539 41.326 40.800 -0.022 0.000 1.160 495 D HN 0.120 nan 8.370 nan 0.000 0.484 496 N N 2.750 121.376 118.700 -0.124 0.000 2.397 496 N HA 0.170 4.914 4.740 0.005 0.000 0.291 496 N C 0.044 175.507 175.510 -0.077 0.000 1.065 496 N CA -0.465 52.511 53.050 -0.122 0.000 0.884 496 N CB 1.376 39.761 38.487 -0.170 0.000 1.551 496 N HN 0.191 nan 8.380 nan 0.000 0.487 497 L N 2.404 123.585 121.223 -0.070 0.000 2.513 497 L HA 0.111 4.454 4.340 0.005 0.000 0.222 497 L C 1.381 178.206 176.870 -0.076 0.000 1.096 497 L CA 0.498 55.298 54.840 -0.067 0.000 0.857 497 L CB 0.019 42.046 42.059 -0.055 0.000 1.026 497 L HN 0.566 nan 8.230 nan 0.000 0.469 498 N N -0.353 118.309 118.700 -0.062 0.000 2.368 498 N HA -0.013 4.730 4.740 0.005 0.000 0.178 498 N C 0.945 176.441 175.510 -0.023 0.000 1.076 498 N CA -0.208 52.814 53.050 -0.047 0.000 0.889 498 N CB -0.068 38.399 38.487 -0.033 0.000 1.040 498 N HN 0.033 nan 8.380 nan 0.000 0.463 499 L N 1.111 122.322 121.223 -0.020 0.000 3.829 499 L HA -0.213 4.130 4.340 0.005 0.000 0.440 499 L C -0.649 176.271 176.870 0.085 0.000 1.192 499 L CA 0.949 55.814 54.840 0.041 0.000 0.848 499 L CB -2.536 39.589 42.059 0.110 0.000 1.744 499 L HN 0.649 nan 8.230 nan 0.000 0.920 500 T N -1.997 112.579 114.554 0.037 0.000 2.823 500 T HA 0.685 5.039 4.350 0.005 0.000 0.279 500 T C 0.349 175.053 174.700 0.006 0.000 0.998 500 T CA -0.941 61.185 62.100 0.044 0.000 0.994 500 T CB 2.213 71.101 68.868 0.032 0.000 0.960 500 T HN 0.311 nan 8.240 nan 0.000 0.448 501 I N 0.727 121.303 120.570 0.010 0.000 2.892 501 I HA 0.429 4.602 4.170 0.005 0.000 0.287 501 I C -2.458 173.627 176.117 -0.053 0.000 1.205 501 I CA -2.015 59.269 61.300 -0.027 0.000 1.409 501 I CB -0.483 37.505 38.000 -0.020 0.000 1.367 501 I HN 0.360 nan 8.210 nan 0.000 0.597 502 P HA 0.157 nan 4.420 nan 0.000 0.272 502 P C -0.803 176.484 177.300 -0.022 0.000 1.223 502 P CA -0.068 62.956 63.100 -0.127 0.000 0.784 502 P CB 0.502 31.984 31.700 -0.362 0.000 0.923 503 E N 1.562 121.765 120.200 0.005 0.000 2.222 503 E HA 0.388 4.742 4.350 0.005 0.000 0.272 503 E C -2.074 174.571 176.600 0.075 0.000 0.982 503 E CA -1.834 54.589 56.400 0.039 0.000 0.842 503 E CB -0.149 29.566 29.700 0.024 0.000 1.144 503 E HN 0.331 nan 8.360 nan 0.000 0.397 504 P HA 0.335 nan 4.420 nan 0.000 0.281 504 P C 0.075 177.424 177.300 0.081 0.000 1.252 504 P CA -0.218 62.921 63.100 0.065 0.000 0.778 504 P CB 1.170 32.902 31.700 0.053 0.000 0.895 505 G N 0.981 109.812 108.800 0.052 0.000 3.320 505 G HA2 -0.052 3.911 3.960 0.005 0.000 0.180 505 G HA3 -0.052 3.911 3.960 0.005 0.000 0.180 505 G C 0.663 175.576 174.900 0.021 0.000 1.267 505 G CA -0.001 45.125 45.100 0.043 0.000 0.822 505 G HN 0.471 nan 8.290 nan 0.000 0.681 506 L N 2.535 123.768 121.223 0.016 0.000 2.046 506 L HA 0.050 4.393 4.340 0.005 0.000 0.208 506 L C 2.933 179.810 176.870 0.012 0.000 1.077 506 L CA 3.116 57.963 54.840 0.011 0.000 0.747 506 L CB -0.698 41.368 42.059 0.012 0.000 0.896 506 L HN 0.375 nan 8.230 nan 0.000 0.432 507 S N -2.301 113.408 115.700 0.015 0.000 2.382 507 S HA -0.195 4.278 4.470 0.005 0.000 0.228 507 S C 1.841 176.448 174.600 0.012 0.000 1.027 507 S CA 1.611 59.819 58.200 0.014 0.000 0.991 507 S CB -1.303 61.906 63.200 0.014 0.000 0.823 507 S HN 0.552 nan 8.310 nan 0.000 0.469 508 T N 2.175 116.737 114.554 0.013 0.000 2.777 508 T HA 0.014 4.367 4.350 0.005 0.000 0.266 508 T C 1.921 176.625 174.700 0.008 0.000 1.040 508 T CA 1.343 63.447 62.100 0.007 0.000 1.141 508 T CB -0.607 68.269 68.868 0.012 0.000 0.868 508 T HN 0.280 nan 8.240 nan 0.000 0.444 509 V N 1.703 121.622 119.914 0.009 0.000 2.343 509 V HA -0.206 3.918 4.120 0.005 0.000 0.247 509 V C 2.605 178.704 176.094 0.008 0.000 1.051 509 V CA 1.665 63.968 62.300 0.005 0.000 1.036 509 V CB -0.658 31.163 31.823 -0.003 0.000 0.654 509 V HN 0.532 nan 8.190 nan 0.000 0.451 510 Q N -0.415 119.390 119.800 0.009 0.000 2.167 510 Q HA -0.101 4.243 4.340 0.005 0.000 0.202 510 Q C 2.390 178.402 176.000 0.020 0.000 0.970 510 Q CA 1.546 57.356 55.803 0.012 0.000 0.855 510 Q CB -0.331 28.414 28.738 0.011 0.000 0.911 510 Q HN 0.684 nan 8.270 nan 0.000 0.438 511 A N 0.412 123.245 122.820 0.022 0.000 1.855 511 A HA -0.114 4.209 4.320 0.005 0.000 0.215 511 A C 2.336 179.948 177.584 0.047 0.000 1.191 511 A CA 1.206 53.264 52.037 0.034 0.000 0.613 511 A CB -0.724 18.293 19.000 0.029 0.000 0.829 511 A HN 0.179 nan 8.150 nan 0.000 0.442 512 V N -0.411 119.525 119.914 0.037 0.000 2.237 512 V HA -0.336 3.787 4.120 0.005 0.000 0.245 512 V C 2.675 178.796 176.094 0.045 0.000 1.046 512 V CA 2.164 64.489 62.300 0.042 0.000 1.007 512 V CB -1.249 30.582 31.823 0.013 0.000 0.638 512 V HN 0.698 nan 8.190 nan 0.000 0.445 513 c N 1.063 119.681 118.600 0.030 0.000 2.410 513 c HA -0.061 4.512 4.570 0.005 0.000 0.281 513 c C 2.834 176.945 174.090 0.035 0.000 1.318 513 c CA 0.642 56.989 56.329 0.029 0.000 1.776 513 c CB -1.835 40.683 42.510 0.013 0.000 1.942 513 c HN 0.724 nan 8.230 nan 0.000 0.508 514 G N 0.148 108.970 108.800 0.036 0.000 2.443 514 G HA2 0.117 4.080 3.960 0.005 0.000 0.219 514 G HA3 0.117 4.080 3.960 0.005 0.000 0.219 514 G C 1.649 176.578 174.900 0.048 0.000 1.131 514 G CA 1.072 46.193 45.100 0.036 0.000 0.775 514 G HN 0.589 nan 8.290 nan 0.000 0.547 515 G N -1.375 107.464 108.800 0.065 0.000 2.719 515 G HA2 0.387 4.350 3.960 0.005 0.000 0.211 515 G HA3 0.387 4.350 3.960 0.005 0.000 0.211 515 G C -0.134 174.822 174.900 0.094 0.000 1.140 515 G CA 0.869 46.018 45.100 0.082 0.000 0.790 515 G HN 0.621 nan 8.290 nan 0.000 0.529 516 V N 0.129 120.098 119.914 0.092 0.000 3.167 516 V HA 0.449 4.572 4.120 0.005 0.000 0.293 516 V C -1.074 175.074 176.094 0.089 0.000 1.379 516 V CA -1.479 60.883 62.300 0.105 0.000 1.019 516 V CB 1.990 33.906 31.823 0.154 0.000 1.115 516 V HN 0.543 nan 8.190 nan 0.000 0.442 517 R N 3.313 123.871 120.500 0.096 0.000 2.538 517 R HA 0.451 4.794 4.340 0.005 0.000 0.282 517 R C -0.122 176.232 176.300 0.091 0.000 1.009 517 R CA 0.274 56.422 56.100 0.079 0.000 1.063 517 R CB -0.429 29.919 30.300 0.080 0.000 0.945 517 R HN 0.972 nan 8.270 nan 0.000 0.414 518 c N 0.144 118.772 118.600 0.046 0.000 2.707 518 c HA 0.912 5.485 4.570 0.005 0.000 0.313 518 c C -0.125 173.959 174.090 -0.011 0.000 1.209 518 c CA -0.914 55.436 56.329 0.034 0.000 1.635 518 c CB 1.396 43.919 42.510 0.021 0.000 2.206 518 c HN 0.973 nan 8.230 nan 0.000 0.485 519 A N 2.407 125.215 122.820 -0.021 0.000 2.293 519 A HA 0.689 5.012 4.320 0.005 0.000 0.312 519 A C 0.032 177.585 177.584 -0.051 0.000 1.309 519 A CA -0.022 51.975 52.037 -0.067 0.000 0.839 519 A CB 0.275 19.211 19.000 -0.107 0.000 1.155 519 A HN 0.958 nan 8.150 nan 0.000 0.501 520 T N 2.105 116.620 114.554 -0.066 0.000 2.817 520 T HA 0.432 4.785 4.350 0.005 0.000 0.293 520 T C -0.053 174.602 174.700 -0.076 0.000 0.964 520 T CA -0.006 62.059 62.100 -0.059 0.000 1.085 520 T CB 0.878 69.707 68.868 -0.066 0.000 0.921 520 T HN 0.377 nan 8.240 nan 0.000 0.502 521 V N 5.180 125.064 119.914 -0.050 0.000 2.347 521 V HA 0.357 4.481 4.120 0.005 0.000 0.280 521 V C -0.277 175.775 176.094 -0.070 0.000 1.021 521 V CA -0.859 61.410 62.300 -0.051 0.000 0.847 521 V CB 1.270 33.091 31.823 -0.005 0.000 0.990 521 V HN 0.625 nan 8.190 nan 0.000 0.444 522 L N 7.218 128.376 121.223 -0.109 0.000 2.255 522 L HA 0.528 4.871 4.340 0.005 0.000 0.289 522 L C -0.360 176.442 176.870 -0.112 0.000 1.046 522 L CA 0.165 54.934 54.840 -0.118 0.000 0.816 522 L CB 0.721 42.714 42.059 -0.109 0.000 1.197 522 L HN 0.393 nan 8.230 nan 0.000 0.427 523 I N 5.132 125.635 120.570 -0.111 0.000 2.304 523 I HA 0.479 4.653 4.170 0.005 0.000 0.291 523 I C 0.148 176.264 176.117 -0.002 0.000 1.018 523 I CA 0.049 61.339 61.300 -0.017 0.000 1.260 523 I CB 0.464 38.534 38.000 0.116 0.000 1.390 523 I HN 0.801 nan 8.210 nan 0.000 0.475 524 S N 3.041 118.779 115.700 0.062 0.000 2.587 524 S HA 0.602 5.076 4.470 0.005 0.000 0.269 524 S C 0.149 174.869 174.600 0.200 0.000 1.154 524 S CA -0.414 57.851 58.200 0.108 0.000 0.824 524 S CB 1.524 64.782 63.200 0.098 0.000 1.118 524 S HN 0.645 nan 8.310 nan 0.000 0.462 525 G N 0.284 109.192 108.800 0.181 0.000 3.337 525 G HA2 0.514 4.477 3.960 0.005 0.000 0.246 525 G HA3 0.514 4.477 3.960 0.005 0.000 0.246 525 G C 0.257 175.358 174.900 0.334 0.000 1.131 525 G CA -0.316 44.912 45.100 0.213 0.000 0.773 525 G HN 1.016 nan 8.290 nan 0.000 0.544 526 R N -2.224 118.474 120.500 0.330 0.000 2.829 526 R HA 0.299 4.642 4.340 0.005 0.000 0.283 526 R C -3.629 172.671 176.300 0.000 0.000 1.013 526 R CA -1.490 54.746 56.100 0.227 0.000 0.848 526 R CB -0.138 30.269 30.300 0.178 0.000 1.291 526 R HN -0.205 nan 8.270 nan 0.000 0.496 527 P HA 0.132 nan 4.420 nan 0.000 0.268 527 P C -0.655 176.267 177.300 -0.631 0.000 1.205 527 P CA -0.358 61.949 63.100 -1.321 0.000 0.771 527 P CB 0.945 31.614 31.700 -1.718 0.000 0.858 528 V N 0.067 119.722 119.914 -0.432 0.000 3.160 528 V HA 0.454 4.577 4.120 0.005 0.000 0.310 528 V C -0.235 175.986 176.094 0.213 0.000 1.181 528 V CA -1.244 61.095 62.300 0.065 0.000 1.047 528 V CB 1.606 33.498 31.823 0.113 0.000 1.068 528 V HN 0.130 nan 8.190 nan 0.000 0.441 529 V N 1.451 121.550 119.914 0.309 0.000 2.539 529 V HA 0.085 4.209 4.120 0.005 0.000 0.300 529 V C 1.003 177.238 176.094 0.234 0.000 1.019 529 V CA 1.187 63.667 62.300 0.301 0.000 1.160 529 V CB 0.817 32.773 31.823 0.221 0.000 0.901 529 V HN 0.913 nan 8.190 nan 0.000 0.481 530 V N 4.159 124.217 119.914 0.239 0.000 3.398 530 V HA 0.102 4.225 4.120 0.005 0.000 0.298 530 V C 1.576 177.680 176.094 0.017 0.000 1.496 530 V CA 0.495 62.869 62.300 0.124 0.000 1.044 530 V CB 0.982 32.862 31.823 0.096 0.000 0.880 530 V HN 0.942 nan 8.190 nan 0.000 0.443 531 Q N 1.100 120.913 119.800 0.023 0.000 2.050 531 Q HA -0.099 4.244 4.340 0.005 0.000 0.202 531 Q C -0.449 175.540 176.000 -0.019 0.000 0.980 531 Q CA 2.709 58.498 55.803 -0.023 0.000 0.840 531 Q CB -1.145 27.582 28.738 -0.019 0.000 0.898 531 Q HN 0.525 nan 8.270 nan 0.000 0.424 532 P HA -0.171 nan 4.420 nan 0.000 0.215 532 P C 0.916 178.210 177.300 -0.010 0.000 1.157 532 P CA 1.086 64.185 63.100 -0.001 0.000 0.868 532 P CB 0.013 31.721 31.700 0.012 0.000 0.788 533 L N -1.675 119.541 121.223 -0.011 0.000 2.012 533 L HA -0.197 4.146 4.340 0.005 0.000 0.210 533 L C 2.282 179.125 176.870 -0.044 0.000 1.073 533 L CA 1.150 55.975 54.840 -0.026 0.000 0.748 533 L CB -1.002 41.039 42.059 -0.030 0.000 0.891 533 L HN -0.014 nan 8.230 nan 0.000 0.431 534 L N -0.090 121.099 121.223 -0.056 0.000 2.012 534 L HA -0.209 4.134 4.340 0.005 0.000 0.210 534 L C 2.803 179.644 176.870 -0.048 0.000 1.073 534 L CA 2.150 56.951 54.840 -0.065 0.000 0.748 534 L CB -1.441 40.576 42.059 -0.069 0.000 0.891 534 L HN 0.216 nan 8.230 nan 0.000 0.431 535 A N -0.962 121.835 122.820 -0.038 0.000 1.917 535 A HA -0.185 4.139 4.320 0.005 0.000 0.219 535 A C 2.378 179.949 177.584 -0.022 0.000 1.182 535 A CA 2.067 54.087 52.037 -0.029 0.000 0.633 535 A CB -0.783 18.204 19.000 -0.023 0.000 0.819 535 A HN 0.435 nan 8.150 nan 0.000 0.448 536 A N -0.997 121.811 122.820 -0.020 0.000 2.072 536 A HA 0.333 4.656 4.320 0.005 0.000 0.216 536 A C 1.313 178.887 177.584 -0.016 0.000 1.156 536 A CA 0.790 52.819 52.037 -0.013 0.000 0.701 536 A CB -0.208 18.787 19.000 -0.008 0.000 0.816 536 A HN 0.380 nan 8.150 nan 0.000 0.458 537 S N 0.566 116.249 115.700 -0.030 0.000 2.585 537 S HA 0.279 4.753 4.470 0.005 0.000 0.277 537 S C 0.010 174.585 174.600 -0.041 0.000 1.241 537 S CA -0.582 57.596 58.200 -0.037 0.000 1.041 537 S CB 1.272 64.438 63.200 -0.057 0.000 0.987 537 S HN 0.391 nan 8.310 nan 0.000 0.512 538 D N 1.019 121.396 120.400 -0.038 0.000 2.183 538 D HA 0.178 4.822 4.640 0.005 0.000 0.205 538 D C 0.497 176.756 176.300 -0.069 0.000 0.962 538 D CA 0.720 54.696 54.000 -0.041 0.000 0.849 538 D CB 0.247 41.030 40.800 -0.028 0.000 0.978 538 D HN 0.560 nan 8.370 nan 0.000 0.488 539 A N 0.464 123.230 122.820 -0.090 0.000 2.449 539 A HA 0.664 4.988 4.320 0.005 0.000 0.302 539 A C -1.472 176.022 177.584 -0.151 0.000 1.048 539 A CA -0.553 51.402 52.037 -0.136 0.000 0.708 539 A CB 1.845 20.751 19.000 -0.157 0.000 1.274 539 A HN 0.141 nan 8.150 nan 0.000 0.410 540 L N 2.431 123.535 121.223 -0.199 0.000 2.464 540 L HA 0.777 5.120 4.340 0.005 0.000 0.266 540 L C -1.690 175.011 176.870 -0.281 0.000 0.965 540 L CA -0.635 54.079 54.840 -0.210 0.000 0.833 540 L CB 2.087 44.025 42.059 -0.202 0.000 1.296 540 L HN 0.519 nan 8.230 nan 0.000 0.405 541 V N 3.534 123.303 119.914 -0.241 0.000 2.555 541 V HA 0.707 4.831 4.120 0.005 0.000 0.302 541 V C 0.141 176.082 176.094 -0.256 0.000 1.038 541 V CA -0.518 61.635 62.300 -0.245 0.000 0.887 541 V CB 1.740 33.499 31.823 -0.107 0.000 0.991 541 V HN 0.843 nan 8.190 nan 0.000 0.434 542 A N 3.053 125.664 122.820 -0.348 0.000 2.294 542 A HA 0.712 5.035 4.320 0.005 0.000 0.316 542 A C 0.901 178.105 177.584 -0.633 0.000 1.359 542 A CA 0.207 51.911 52.037 -0.554 0.000 0.956 542 A CB 0.711 19.253 19.000 -0.763 0.000 1.155 542 A HN 1.274 nan 8.150 nan 0.000 0.544 543 A N 2.361 124.944 122.820 -0.394 0.000 2.238 543 A HA 0.438 4.761 4.320 0.005 0.000 0.210 543 A C 0.756 178.343 177.584 0.005 0.000 1.179 543 A CA 0.467 52.415 52.037 -0.148 0.000 0.827 543 A CB -0.818 18.177 19.000 -0.009 0.000 0.856 543 A HN 1.196 nan 8.150 nan 0.000 0.488 544 W N -1.854 119.512 121.300 0.109 0.000 2.245 544 W HA -0.301 4.362 4.660 0.006 0.000 0.286 544 W C 0.178 176.736 176.519 0.066 0.000 1.350 544 W CA 0.645 58.045 57.345 0.093 0.000 1.307 544 W CB -1.360 28.166 29.460 0.109 0.000 0.894 544 W HN 0.075 nan 8.180 nan 0.000 0.518 545 L N 1.435 122.876 121.223 0.363 0.000 2.495 545 L HA 0.226 4.570 4.340 0.005 0.000 0.248 545 L C -1.775 175.217 176.870 0.202 0.000 1.229 545 L CA -1.753 53.211 54.840 0.207 0.000 0.942 545 L CB 0.897 43.045 42.059 0.147 0.000 1.242 545 L HN -0.096 nan 8.230 nan 0.000 0.484 546 P HA -0.187 nan 4.420 nan 0.000 0.218 546 P C 0.977 178.319 177.300 0.069 0.000 1.152 546 P CA 1.561 64.738 63.100 0.128 0.000 0.857 546 P CB 0.264 32.023 31.700 0.098 0.000 0.787 547 G N -1.994 106.833 108.800 0.045 0.000 2.472 547 G HA2 -0.162 3.801 3.960 0.005 0.000 0.205 547 G HA3 -0.162 3.801 3.960 0.005 0.000 0.205 547 G C 0.960 175.817 174.900 -0.072 0.000 1.270 547 G CA 0.159 45.238 45.100 -0.035 0.000 0.974 547 G HN 0.209 nan 8.290 nan 0.000 0.542 548 S N -0.541 115.069 115.700 -0.151 0.000 2.461 548 S HA 0.132 4.605 4.470 0.005 0.000 0.228 548 S C 0.667 175.192 174.600 -0.125 0.000 1.005 548 S CA 1.690 59.802 58.200 -0.146 0.000 0.942 548 S CB 0.155 63.232 63.200 -0.204 0.000 0.776 548 S HN 0.595 nan 8.310 nan 0.000 0.514 549 E N 2.048 122.172 120.200 -0.127 0.000 2.069 549 E HA 0.339 4.692 4.350 0.005 0.000 0.254 549 E C 1.086 177.656 176.600 -0.050 0.000 1.088 549 E CA -0.130 56.212 56.400 -0.097 0.000 1.017 549 E CB 0.176 29.803 29.700 -0.120 0.000 1.226 549 E HN 0.474 nan 8.360 nan 0.000 0.458 550 G N 1.869 110.649 108.800 -0.033 0.000 2.479 550 G HA2 -0.307 3.656 3.960 0.005 0.000 0.220 550 G HA3 -0.307 3.656 3.960 0.005 0.000 0.220 550 G C 1.259 176.167 174.900 0.013 0.000 1.115 550 G CA 0.336 45.435 45.100 -0.003 0.000 0.757 550 G HN 0.378 nan 8.290 nan 0.000 0.560 551 Q N 0.039 119.842 119.800 0.005 0.000 2.297 551 Q HA -0.042 4.301 4.340 0.005 0.000 0.208 551 Q C 2.750 178.764 176.000 0.024 0.000 0.981 551 Q CA 0.789 56.609 55.803 0.029 0.000 0.876 551 Q CB -0.289 28.460 28.738 0.017 0.000 0.921 551 Q HN 0.469 nan 8.270 nan 0.000 0.446 552 G N 0.313 109.108 108.800 -0.010 0.000 2.450 552 G HA2 -0.220 3.743 3.960 0.005 0.000 0.220 552 G HA3 -0.220 3.743 3.960 0.005 0.000 0.220 552 G C 1.468 176.353 174.900 -0.025 0.000 1.130 552 G CA 0.791 45.868 45.100 -0.037 0.000 0.760 552 G HN 0.218 nan 8.290 nan 0.000 0.557 553 V N 1.610 121.529 119.914 0.009 0.000 2.307 553 V HA -0.159 3.965 4.120 0.005 0.000 0.245 553 V C 3.270 179.370 176.094 0.010 0.000 1.045 553 V CA 2.369 64.679 62.300 0.016 0.000 1.024 553 V CB -0.945 30.902 31.823 0.040 0.000 0.651 553 V HN 0.622 nan 8.190 nan 0.000 0.449 554 T N -2.868 111.727 114.554 0.069 0.000 3.035 554 T HA -0.147 4.206 4.350 0.005 0.000 0.268 554 T C 1.429 176.244 174.700 0.192 0.000 1.109 554 T CA 1.134 63.328 62.100 0.157 0.000 1.119 554 T CB -0.375 68.699 68.868 0.343 0.000 0.900 554 T HN 0.356 nan 8.240 nan 0.000 0.503 555 D N 1.780 122.248 120.400 0.113 0.000 2.218 555 D HA 0.084 4.727 4.640 0.005 0.000 0.204 555 D C 2.216 178.570 176.300 0.089 0.000 0.976 555 D CA 1.273 55.373 54.000 0.167 0.000 0.853 555 D CB -0.255 40.625 40.800 0.134 0.000 0.939 555 D HN 0.610 nan 8.370 nan 0.000 0.481 556 A N -0.001 122.734 122.820 -0.140 0.000 1.924 556 A HA 0.091 4.414 4.320 0.005 0.000 0.211 556 A C 2.272 179.662 177.584 -0.323 0.000 1.198 556 A CA 0.061 51.802 52.037 -0.493 0.000 0.657 556 A CB -0.506 17.771 19.000 -1.204 0.000 0.852 556 A HN 0.128 nan 8.150 nan 0.000 0.454 557 L N -1.542 119.576 121.223 -0.175 0.000 2.079 557 L HA -0.162 4.182 4.340 0.005 0.000 0.210 557 L C 1.650 178.301 176.870 -0.365 0.000 1.081 557 L CA 1.245 55.959 54.840 -0.209 0.000 0.752 557 L CB -0.395 41.419 42.059 -0.409 0.000 0.896 557 L HN 0.397 nan 8.230 nan 0.000 0.433 558 F N -0.706 119.249 119.950 0.009 0.000 2.693 558 F HA 0.270 4.800 4.527 0.005 0.000 0.303 558 F C 1.695 177.490 175.800 -0.009 0.000 1.097 558 F CA 0.443 58.444 58.000 0.001 0.000 1.330 558 F CB 0.056 39.067 39.000 0.017 0.000 1.067 558 F HN 0.120 nan 8.300 nan 0.000 0.565 559 G N -0.067 108.792 108.800 0.098 0.000 2.179 559 G HA2 -0.306 3.657 3.960 0.005 0.000 0.260 559 G HA3 -0.306 3.657 3.960 0.005 0.000 0.260 559 G C 1.017 175.908 174.900 -0.016 0.000 0.977 559 G CA 0.534 45.660 45.100 0.044 0.000 0.641 559 G HN 0.295 nan 8.290 nan 0.000 0.533 560 D N -0.578 119.824 120.400 0.003 0.000 2.263 560 D HA 0.126 4.770 4.640 0.005 0.000 0.208 560 D C 0.618 176.563 176.300 -0.592 0.000 0.971 560 D CA 1.127 55.006 54.000 -0.202 0.000 0.867 560 D CB 0.015 40.796 40.800 -0.031 0.000 0.929 560 D HN 0.468 nan 8.370 nan 0.000 0.492 561 F N -1.193 118.722 119.950 -0.059 0.000 2.654 561 F HA 0.472 5.003 4.527 0.005 0.000 0.308 561 F C 0.715 176.439 175.800 -0.128 0.000 1.108 561 F CA -1.301 56.652 58.000 -0.079 0.000 0.957 561 F CB 1.660 40.605 39.000 -0.092 0.000 1.309 561 F HN -0.313 nan 8.300 nan 0.000 0.446 562 G N 0.607 109.465 108.800 0.096 0.000 2.425 562 G HA2 0.505 4.469 3.960 0.005 0.000 0.302 562 G HA3 0.505 4.469 3.960 0.005 0.000 0.302 562 G C -1.181 173.735 174.900 0.027 0.000 1.159 562 G CA -0.446 44.689 45.100 0.059 0.000 0.865 562 G HN 0.359 nan 8.290 nan 0.000 0.515 563 F N 0.452 120.427 119.950 0.042 0.000 2.538 563 F HA 0.274 4.804 4.527 0.006 0.000 0.371 563 F C 1.827 177.640 175.800 0.023 0.000 1.087 563 F CA 0.751 58.766 58.000 0.025 0.000 1.250 563 F CB 1.500 40.494 39.000 -0.011 0.000 1.110 563 F HN 0.526 nan 8.300 nan 0.000 0.570 564 T N -1.151 113.514 114.554 0.185 0.000 3.009 564 T HA 0.268 4.621 4.350 0.005 0.000 0.267 564 T C 0.871 175.643 174.700 0.120 0.000 0.942 564 T CA 0.124 62.297 62.100 0.121 0.000 0.883 564 T CB -0.341 68.577 68.868 0.084 0.000 1.192 564 T HN 0.676 nan 8.240 nan 0.000 0.524 565 G N 1.617 110.516 108.800 0.165 0.000 2.491 565 G HA2 0.496 4.459 3.960 0.005 0.000 0.238 565 G HA3 0.496 4.459 3.960 0.005 0.000 0.238 565 G C -0.546 174.452 174.900 0.164 0.000 1.277 565 G CA -0.575 44.634 45.100 0.181 0.000 0.851 565 G HN 0.457 nan 8.290 nan 0.000 0.573 566 R N 1.078 121.679 120.500 0.169 0.000 2.686 566 R HA 0.271 4.614 4.340 0.005 0.000 0.286 566 R C -0.279 176.164 176.300 0.239 0.000 0.969 566 R CA -0.995 55.204 56.100 0.164 0.000 0.898 566 R CB 2.112 32.477 30.300 0.109 0.000 1.183 566 R HN 0.403 nan 8.270 nan 0.000 0.456 567 L N 3.740 125.148 121.223 0.308 0.000 2.601 567 L HA -0.002 4.341 4.340 0.005 0.000 0.277 567 L C -1.531 175.481 176.870 0.237 0.000 1.219 567 L CA -0.749 54.320 54.840 0.382 0.000 0.915 567 L CB 0.227 42.553 42.059 0.446 0.000 1.160 567 L HN 0.363 nan 8.230 nan 0.000 0.494 568 P HA 0.097 nan 4.420 nan 0.000 0.252 568 P C -0.039 177.308 177.300 0.078 0.000 1.218 568 P CA 0.668 63.797 63.100 0.049 0.000 0.807 568 P CB 0.531 32.180 31.700 -0.086 0.000 1.072 569 R N -1.761 118.818 120.500 0.131 0.000 3.029 569 R HA 0.610 4.953 4.340 0.005 0.000 0.239 569 R C -0.363 176.085 176.300 0.246 0.000 1.351 569 R CA -0.645 55.548 56.100 0.156 0.000 1.052 569 R CB 0.387 30.752 30.300 0.108 0.000 1.354 569 R HN -0.277 nan 8.270 nan 0.000 0.499 570 T N 0.758 115.459 114.554 0.245 0.000 2.829 570 T HA 0.205 4.558 4.350 0.005 0.000 0.282 570 T C -1.142 173.687 174.700 0.214 0.000 0.990 570 T CA -0.330 61.949 62.100 0.298 0.000 1.028 570 T CB 0.818 69.900 68.868 0.357 0.000 0.951 570 T HN 0.261 nan 8.240 nan 0.000 0.460 571 W N 6.771 128.113 121.300 0.069 0.000 2.291 571 W HA 0.378 5.041 4.660 0.005 0.000 0.312 571 W C -0.920 175.479 176.519 -0.201 0.000 1.061 571 W CA -2.105 55.171 57.345 -0.114 0.000 1.296 571 W CB 0.184 29.673 29.460 0.049 0.000 1.223 571 W HN 0.630 nan 8.180 nan 0.000 0.421 572 F N 3.210 123.253 119.950 0.155 0.000 2.403 572 F HA 0.360 4.890 4.527 0.005 0.000 0.320 572 F C 1.173 177.045 175.800 0.121 0.000 1.176 572 F CA -0.542 57.502 58.000 0.073 0.000 1.206 572 F CB 0.458 39.465 39.000 0.012 0.000 1.235 572 F HN 0.223 nan 8.300 nan 0.000 0.565 573 K N -0.000 120.579 120.400 0.299 0.000 2.166 573 K HA 0.133 4.456 4.320 0.005 0.000 0.201 573 K C -0.060 176.711 176.600 0.285 0.000 1.052 573 K CA 1.090 57.484 56.287 0.179 0.000 0.969 573 K CB 0.008 32.533 32.500 0.041 0.000 0.761 573 K HN 0.801 nan 8.250 nan 0.000 0.459 574 S N -0.941 114.938 115.700 0.298 0.000 2.570 574 S HA 0.164 4.637 4.470 0.005 0.000 0.270 574 S C 0.817 175.343 174.600 -0.124 0.000 1.149 574 S CA -0.730 57.558 58.200 0.148 0.000 0.837 574 S CB 1.622 64.857 63.200 0.057 0.000 1.124 574 S HN -0.068 nan 8.310 nan 0.000 0.465 575 V N -1.198 118.547 119.914 -0.283 0.000 2.594 575 V HA -0.083 4.040 4.120 0.005 0.000 0.253 575 V C 1.357 177.294 176.094 -0.262 0.000 1.069 575 V CA 1.996 64.006 62.300 -0.484 0.000 1.082 575 V CB -1.546 30.073 31.823 -0.339 0.000 0.680 575 V HN 0.946 nan 8.190 nan 0.000 0.469 576 D N -0.379 119.944 120.400 -0.128 0.000 2.352 576 D HA -0.062 4.581 4.640 0.005 0.000 0.232 576 D C 1.815 178.109 176.300 -0.011 0.000 1.055 576 D CA 0.508 54.470 54.000 -0.063 0.000 0.891 576 D CB -0.326 40.454 40.800 -0.033 0.000 0.897 576 D HN 0.578 nan 8.370 nan 0.000 0.529 577 Q N -0.141 119.653 119.800 -0.011 0.000 2.376 577 Q HA 0.183 4.526 4.340 0.005 0.000 0.206 577 Q C 0.465 176.558 176.000 0.155 0.000 0.921 577 Q CA 0.036 55.904 55.803 0.109 0.000 0.911 577 Q CB 0.492 29.263 28.738 0.055 0.000 1.032 577 Q HN 0.372 nan 8.270 nan 0.000 0.510 578 L N 2.659 123.886 121.223 0.006 0.000 2.426 578 L HA 0.163 4.506 4.340 0.005 0.000 0.271 578 L C -1.993 174.897 176.870 0.033 0.000 1.169 578 L CA -1.782 53.065 54.840 0.013 0.000 0.836 578 L CB -0.255 41.736 42.059 -0.113 0.000 1.112 578 L HN -0.075 nan 8.230 nan 0.000 0.465 579 P HA 0.251 nan 4.420 nan 0.000 0.271 579 P C -0.718 176.714 177.300 0.219 0.000 1.233 579 P CA -0.387 62.779 63.100 0.109 0.000 0.789 579 P CB 0.575 32.329 31.700 0.089 0.000 0.951 580 M N 1.316 121.053 119.600 0.228 0.000 2.528 580 M HA 0.221 4.704 4.480 0.005 0.000 0.173 580 M C -2.182 174.301 176.300 0.306 0.000 0.930 580 M CA -0.200 55.272 55.300 0.287 0.000 0.802 580 M CB 0.359 33.051 32.600 0.153 0.000 2.774 580 M HN 0.246 nan 8.290 nan 0.000 0.391 581 N N 1.313 120.176 118.700 0.273 0.000 2.381 581 N HA 0.701 5.444 4.740 0.005 0.000 0.294 581 N C -0.920 174.567 175.510 -0.039 0.000 1.216 581 N CA -0.717 52.455 53.050 0.203 0.000 0.803 581 N CB 1.927 40.475 38.487 0.102 0.000 1.372 581 N HN 0.307 nan 8.380 nan 0.000 0.500 582 V N 0.556 120.339 119.914 -0.218 0.000 2.720 582 V HA 0.229 4.352 4.120 0.005 0.000 0.307 582 V C 1.548 177.383 176.094 -0.431 0.000 1.071 582 V CA 1.173 63.072 62.300 -0.669 0.000 1.199 582 V CB -0.138 31.520 31.823 -0.275 0.000 0.900 582 V HN 1.026 nan 8.190 nan 0.000 0.494 583 G N 2.768 111.272 108.800 -0.493 0.000 2.176 583 G HA2 -0.197 3.766 3.960 0.005 0.000 0.253 583 G HA3 -0.197 3.766 3.960 0.005 0.000 0.253 583 G C -0.109 174.718 174.900 -0.121 0.000 0.979 583 G CA 0.161 45.131 45.100 -0.217 0.000 0.641 583 G HN 0.740 nan 8.290 nan 0.000 0.530 584 D N -0.498 119.829 120.400 -0.121 0.000 2.358 584 D HA 0.682 5.325 4.640 0.005 0.000 0.244 584 D C 1.587 177.970 176.300 0.139 0.000 1.163 584 D CA 0.528 54.575 54.000 0.079 0.000 0.945 584 D CB 0.950 41.891 40.800 0.234 0.000 1.152 584 D HN 0.331 nan 8.370 nan 0.000 0.451 585 A N 1.101 124.029 122.820 0.180 0.000 1.872 585 A HA -0.141 4.182 4.320 0.005 0.000 0.214 585 A C 1.219 178.947 177.584 0.240 0.000 1.187 585 A CA 1.422 53.556 52.037 0.163 0.000 0.614 585 A CB -0.863 18.203 19.000 0.109 0.000 0.826 585 A HN 0.802 nan 8.150 nan 0.000 0.442 586 H N -3.982 115.153 119.070 0.107 0.000 2.640 586 H HA 0.387 4.946 4.556 0.005 0.000 0.312 586 H C -0.385 175.037 175.328 0.157 0.000 1.110 586 H CA -0.838 55.272 56.048 0.104 0.000 1.098 586 H CB -0.623 29.181 29.762 0.070 0.000 1.485 586 H HN 0.321 nan 8.280 nan 0.000 0.526 587 Y N 2.340 122.609 120.300 -0.051 0.000 2.783 587 Y HA 0.009 4.563 4.550 0.005 0.000 0.359 587 Y C -0.232 175.611 175.900 -0.097 0.000 1.220 587 Y CA -0.377 57.656 58.100 -0.112 0.000 1.649 587 Y CB -0.046 38.407 38.460 -0.012 0.000 1.273 587 Y HN 0.551 nan 8.280 nan 0.000 0.506 588 D N 7.988 128.157 120.400 -0.385 0.000 2.613 588 D HA 0.246 4.889 4.640 0.005 0.000 0.312 588 D C -2.993 173.095 176.300 -0.354 0.000 1.202 588 D CA -2.013 51.812 54.000 -0.292 0.000 0.825 588 D CB 0.709 41.411 40.800 -0.162 0.000 1.113 588 D HN 0.215 nan 8.370 nan 0.000 0.502 589 P HA 0.077 nan 4.420 nan 0.000 0.277 589 P C 0.785 177.920 177.300 -0.275 0.000 1.240 589 P CA -0.639 62.227 63.100 -0.389 0.000 0.798 589 P CB 2.014 33.380 31.700 -0.557 0.000 0.979 590 L N 1.633 122.720 121.223 -0.227 0.000 2.131 590 L HA 0.232 4.575 4.340 0.005 0.000 0.206 590 L C 0.099 176.474 176.870 -0.825 0.000 1.087 590 L CA 1.742 56.302 54.840 -0.467 0.000 0.767 590 L CB -0.340 41.487 42.059 -0.386 0.000 0.917 590 L HN 0.221 nan 8.230 nan 0.000 0.441 591 F N 0.215 120.049 119.950 -0.194 0.000 2.585 591 F HA 0.454 4.984 4.527 0.006 0.000 0.319 591 F C 0.177 175.962 175.800 -0.024 0.000 1.165 591 F CA -1.091 56.736 58.000 -0.288 0.000 0.949 591 F CB 1.013 39.753 39.000 -0.433 0.000 1.218 591 F HN -0.267 nan 8.300 nan 0.000 0.453 592 R N 1.985 122.621 120.500 0.227 0.000 2.784 592 R HA 0.283 4.626 4.340 0.005 0.000 0.266 592 R C -0.131 176.403 176.300 0.390 0.000 1.044 592 R CA -0.745 55.547 56.100 0.321 0.000 1.151 592 R CB 0.835 31.339 30.300 0.340 0.000 1.037 592 R HN 0.710 nan 8.270 nan 0.000 0.478 593 L N 0.465 121.927 121.223 0.398 0.000 2.456 593 L HA 0.167 4.510 4.340 0.005 0.000 0.272 593 L C 1.038 178.068 176.870 0.267 0.000 1.189 593 L CA 1.380 56.408 54.840 0.314 0.000 0.846 593 L CB 0.564 42.772 42.059 0.247 0.000 1.111 593 L HN 0.942 nan 8.230 nan 0.000 0.475 594 G N 2.303 111.249 108.800 0.243 0.000 2.194 594 G HA2 -0.355 3.609 3.960 0.005 0.000 0.236 594 G HA3 -0.355 3.609 3.960 0.005 0.000 0.236 594 G C -0.089 174.931 174.900 0.200 0.000 0.987 594 G CA 0.209 45.422 45.100 0.188 0.000 0.635 594 G HN 0.786 nan 8.290 nan 0.000 0.520 595 Y N 1.506 121.892 120.300 0.144 0.000 2.411 595 Y HA 0.439 4.992 4.550 0.005 0.000 0.333 595 Y C 0.643 176.565 175.900 0.037 0.000 1.186 595 Y CA 1.003 59.166 58.100 0.104 0.000 1.381 595 Y CB 1.209 39.761 38.460 0.153 0.000 1.273 595 Y HN 0.868 nan 8.280 nan 0.000 0.546 596 G N 6.651 115.065 108.800 -0.643 0.000 2.139 596 G HA2 0.280 4.244 3.960 0.005 0.000 0.315 596 G HA3 0.280 4.244 3.960 0.005 0.000 0.315 596 G C -1.903 172.725 174.900 -0.453 0.000 1.599 596 G CA -0.975 43.887 45.100 -0.396 0.000 0.960 596 G HN 0.781 nan 8.290 nan 0.000 0.615 597 L N 1.711 122.686 121.223 -0.413 0.000 2.436 597 L HA 0.661 5.004 4.340 0.005 0.000 0.265 597 L C 1.283 178.064 176.870 -0.148 0.000 1.168 597 L CA -0.339 54.335 54.840 -0.278 0.000 0.815 597 L CB 1.366 43.285 42.059 -0.233 0.000 1.109 597 L HN 0.718 nan 8.230 nan 0.000 0.462 598 T N -1.621 112.886 114.554 -0.079 0.000 2.926 598 T HA 0.799 5.152 4.350 0.005 0.000 0.289 598 T C -0.332 174.401 174.700 0.055 0.000 1.054 598 T CA -0.564 61.552 62.100 0.026 0.000 1.015 598 T CB 2.165 71.049 68.868 0.027 0.000 1.167 598 T HN 0.739 nan 8.240 nan 0.000 0.526 599 T N -0.886 113.753 114.554 0.142 0.000 2.864 599 T HA 0.620 4.974 4.350 0.005 0.000 0.299 599 T C -1.155 173.607 174.700 0.104 0.000 1.166 599 T CA -1.063 61.117 62.100 0.133 0.000 1.007 599 T CB 1.140 70.153 68.868 0.242 0.000 1.219 599 T HN 0.749 nan 8.240 nan 0.000 0.506 600 N N -0.087 118.653 118.700 0.067 0.000 2.321 600 N HA 0.629 5.373 4.740 0.005 0.000 0.299 600 N C -0.304 175.220 175.510 0.024 0.000 1.048 600 N CA -0.956 52.118 53.050 0.041 0.000 0.836 600 N CB 1.679 40.181 38.487 0.024 0.000 1.269 600 N HN 1.025 nan 8.380 nan 0.000 0.486 601 A N 1.132 123.951 122.820 -0.003 0.000 2.565 601 A HA 0.130 4.453 4.320 0.005 0.000 0.237 601 A C 0.932 178.492 177.584 -0.040 0.000 1.053 601 A CA 0.020 52.027 52.037 -0.049 0.000 0.755 601 A CB -0.321 18.600 19.000 -0.132 0.000 0.980 601 A HN 0.686 nan 8.150 nan 0.000 0.506 602 T N 0.000 114.534 114.554 -0.034 0.000 3.816 602 T HA 0.000 4.353 4.350 0.005 0.000 0.228 602 T CA 0.000 62.088 62.100 -0.019 0.000 1.349 602 T CB 0.000 68.870 68.868 0.004 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658