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 1iew_1_A DATA FIRST_RESID 1 DATA SEQUENCE DYVLYKDATK PVEDRVADLL GRMTLAEKIG QMTQIERLVA TPDVLRDNFI DATA SEQUENCE GSLLSGGGSV PRKGATAKEW QDMVDGFQKA CMSTRLGIPM IYGIDAVHGQ DATA SEQUENCE NNVYGATIFP HNVGLGATRD PYLVKRIGEA TALEVRATGI QYAFAPCIAV DATA SEQUENCE cRDPRWGRcY ESYSEDRRIV QSMTELIPGL QGDVPKDFTS GMPFVAGKNK DATA SEQUENCE VAACAKHFVG DGGTVDGINE NNTIINREGL MNIHMPAYKN AMDKGVSTVM DATA SEQUENCE ISYSSWNGVK MHANQDLVTG YLKDTLKFKG FVISDWEGID RITTPAGSDY DATA SEQUENCE SYSVKASILA GLDMIMVPNK YQQFISILTG HVNGGVIPMS RIDDAVTRIL DATA SEQUENCE RVKFTMGLFE NPYADPAMAE QLGKQEHRDL AREAARKSLV LLKNGKTSTD DATA SEQUENCE APLLPLPKKA PKILVAGSHA DNLGYQCGGW TIEWQGDTGR TTVGTTILEA DATA SEQUENCE VKAAVDPSTV VVFAENPDAE FVKSGGFSYA IVAVGEHPYT ETKGDNLNLT DATA SEQUENCE IPEPGLSTVQ AVcGGVRcAT VLISGRPVVV QPLLAASDAL VAAWLPGSEG DATA SEQUENCE QGVTDALFGD FGFTGRLPRT WFKSVDQLPM NVGDAHYDPL FRLGYGLTTN DATA SEQUENCE AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.346 176.300 0.077 0.000 2.045 1 D CA 0.000 54.036 54.000 0.059 0.000 0.868 1 D CB 0.000 40.837 40.800 0.061 0.000 0.688 2 Y N 0.723 121.011 120.300 -0.020 0.000 2.717 2 Y HA 0.376 4.929 4.550 0.005 0.000 0.330 2 Y C -0.487 175.385 175.900 -0.045 0.000 1.217 2 Y CA 0.051 58.132 58.100 -0.033 0.000 1.506 2 Y CB 0.487 38.929 38.460 -0.030 0.000 1.268 2 Y HN 0.251 nan 8.280 nan 0.000 0.561 3 V N 9.553 129.051 119.914 -0.694 0.000 2.294 3 V HA 0.016 4.139 4.120 0.005 0.000 0.272 3 V C 1.096 176.559 176.094 -1.051 0.000 1.027 3 V CA -0.649 61.232 62.300 -0.698 0.000 0.823 3 V CB 0.872 32.392 31.823 -0.505 0.000 1.030 3 V HN 0.933 nan 8.190 nan 0.000 0.457 4 L N 5.655 126.338 121.223 -0.900 0.000 2.013 4 L HA -0.173 4.170 4.340 0.005 0.000 0.212 4 L C 2.426 179.111 176.870 -0.308 0.000 1.073 4 L CA 2.730 57.230 54.840 -0.568 0.000 0.753 4 L CB -0.647 41.299 42.059 -0.188 0.000 0.890 4 L HN 0.912 nan 8.230 nan 0.000 0.432 5 Y N -0.119 120.027 120.300 -0.255 0.000 2.403 5 Y HA -0.140 4.413 4.550 0.006 0.000 0.291 5 Y C 2.174 178.008 175.900 -0.112 0.000 1.143 5 Y CA 1.117 59.086 58.100 -0.218 0.000 1.257 5 Y CB -0.813 37.597 38.460 -0.083 0.000 0.984 5 Y HN 0.091 nan 8.280 nan 0.000 0.550 6 K N 0.197 120.287 120.400 -0.516 0.000 2.426 6 K HA -0.037 4.287 4.320 0.005 0.000 0.193 6 K C -0.072 176.466 176.600 -0.103 0.000 1.028 6 K CA 0.405 56.514 56.287 -0.297 0.000 1.047 6 K CB 0.035 32.273 32.500 -0.438 0.000 0.821 6 K HN 0.201 nan 8.250 nan 0.000 0.513 7 D N 0.537 120.869 120.400 -0.113 0.000 2.365 7 D HA 0.122 4.766 4.640 0.005 0.000 0.237 7 D C 0.639 176.949 176.300 0.017 0.000 1.190 7 D CA -0.195 53.812 54.000 0.012 0.000 0.867 7 D CB 1.369 42.247 40.800 0.130 0.000 1.050 7 D HN 0.106 nan 8.370 nan 0.000 0.491 8 A N 2.946 125.796 122.820 0.049 0.000 2.125 8 A HA -0.125 4.199 4.320 0.005 0.000 0.219 8 A C 1.879 179.484 177.584 0.034 0.000 1.156 8 A CA 1.685 53.755 52.037 0.056 0.000 0.671 8 A CB -0.553 18.496 19.000 0.082 0.000 0.794 8 A HN 0.626 nan 8.150 nan 0.000 0.459 9 T N -2.843 111.731 114.554 0.034 0.000 3.148 9 T HA 0.148 4.501 4.350 0.005 0.000 0.253 9 T C 0.602 175.307 174.700 0.008 0.000 1.134 9 T CA -0.055 62.059 62.100 0.024 0.000 1.051 9 T CB -0.131 68.752 68.868 0.025 0.000 0.959 9 T HN 0.118 nan 8.240 nan 0.000 0.525 10 K N 2.301 122.696 120.400 -0.008 0.000 2.098 10 K HA 0.479 4.803 4.320 0.005 0.000 0.258 10 K C -2.775 173.779 176.600 -0.076 0.000 0.973 10 K CA -2.572 53.694 56.287 -0.034 0.000 0.898 10 K CB 0.971 33.449 32.500 -0.037 0.000 1.057 10 K HN 0.086 nan 8.250 nan 0.000 0.447 11 P HA -0.014 nan 4.420 nan 0.000 0.267 11 P C 1.041 178.247 177.300 -0.158 0.000 1.200 11 P CA -0.162 62.889 63.100 -0.081 0.000 0.772 11 P CB 0.532 32.195 31.700 -0.061 0.000 0.855 12 V N 2.265 122.098 119.914 -0.136 0.000 2.282 12 V HA -0.255 3.868 4.120 0.005 0.000 0.249 12 V C 2.170 178.116 176.094 -0.247 0.000 1.057 12 V CA 1.869 64.046 62.300 -0.205 0.000 1.032 12 V CB -0.891 30.905 31.823 -0.045 0.000 0.645 12 V HN 0.610 nan 8.190 nan 0.000 0.447 13 E N 0.021 120.137 120.200 -0.140 0.000 2.118 13 E HA -0.218 4.136 4.350 0.005 0.000 0.195 13 E C 1.976 178.485 176.600 -0.152 0.000 0.992 13 E CA 1.435 57.763 56.400 -0.120 0.000 0.804 13 E CB -0.460 29.193 29.700 -0.077 0.000 0.741 13 E HN 0.650 nan 8.360 nan 0.000 0.458 14 D N 0.343 120.645 120.400 -0.163 0.000 2.144 14 D HA -0.092 4.552 4.640 0.005 0.000 0.200 14 D C 2.050 178.214 176.300 -0.226 0.000 0.978 14 D CA 0.697 54.607 54.000 -0.149 0.000 0.833 14 D CB -0.197 40.537 40.800 -0.110 0.000 0.961 14 D HN 0.164 nan 8.370 nan 0.000 0.470 15 R N 0.466 120.717 120.500 -0.415 0.000 2.092 15 R HA -0.035 4.309 4.340 0.005 0.000 0.231 15 R C 2.430 178.366 176.300 -0.606 0.000 1.119 15 R CA 0.483 56.171 56.100 -0.687 0.000 0.970 15 R CB -0.315 29.133 30.300 -1.420 0.000 0.864 15 R HN 0.059 nan 8.270 nan 0.000 0.440 16 V N 1.217 120.854 119.914 -0.461 0.000 2.261 16 V HA -0.259 3.865 4.120 0.005 0.000 0.246 16 V C 2.503 178.556 176.094 -0.068 0.000 1.047 16 V CA 2.044 64.292 62.300 -0.087 0.000 1.015 16 V CB -0.791 31.026 31.823 -0.010 0.000 0.642 16 V HN 0.407 nan 8.190 nan 0.000 0.446 17 A N 0.060 122.825 122.820 -0.092 0.000 1.873 17 A HA -0.366 3.957 4.320 0.005 0.000 0.218 17 A C 2.039 179.590 177.584 -0.054 0.000 1.193 17 A CA 2.576 54.575 52.037 -0.063 0.000 0.629 17 A CB -0.941 18.022 19.000 -0.061 0.000 0.826 17 A HN 0.637 nan 8.150 nan 0.000 0.447 18 D N -1.008 119.357 120.400 -0.058 0.000 2.123 18 D HA -0.162 4.481 4.640 0.005 0.000 0.196 18 D C 1.785 178.087 176.300 0.004 0.000 0.992 18 D CA 1.520 55.514 54.000 -0.011 0.000 0.833 18 D CB -0.140 40.663 40.800 0.004 0.000 0.954 18 D HN 0.285 nan 8.370 nan 0.000 0.455 19 L N 0.008 121.193 121.223 -0.064 0.000 2.023 19 L HA 0.011 4.355 4.340 0.005 0.000 0.205 19 L C 2.089 178.854 176.870 -0.175 0.000 1.073 19 L CA 1.349 56.018 54.840 -0.284 0.000 0.745 19 L CB -1.102 40.702 42.059 -0.424 0.000 0.900 19 L HN 0.221 nan 8.230 nan 0.000 0.435 20 L N 0.478 121.642 121.223 -0.099 0.000 2.021 20 L HA -0.122 4.221 4.340 0.005 0.000 0.215 20 L C 2.245 179.073 176.870 -0.070 0.000 1.074 20 L CA 2.251 57.045 54.840 -0.076 0.000 0.760 20 L CB -1.544 40.486 42.059 -0.048 0.000 0.889 20 L HN 0.367 nan 8.230 nan 0.000 0.433 21 G N -1.351 107.417 108.800 -0.053 0.000 2.653 21 G HA2 -0.184 3.779 3.960 0.005 0.000 0.212 21 G HA3 -0.184 3.779 3.960 0.005 0.000 0.212 21 G C 1.496 176.374 174.900 -0.036 0.000 1.138 21 G CA 0.635 45.712 45.100 -0.038 0.000 0.782 21 G HN 0.517 nan 8.290 nan 0.000 0.535 22 R N -1.179 119.291 120.500 -0.051 0.000 2.446 22 R HA 0.320 4.663 4.340 0.005 0.000 0.254 22 R C 0.592 176.847 176.300 -0.075 0.000 0.918 22 R CA -0.280 55.796 56.100 -0.040 0.000 1.069 22 R CB 0.367 30.665 30.300 -0.004 0.000 1.194 22 R HN 0.303 nan 8.270 nan 0.000 0.534 23 M N 1.870 121.407 119.600 -0.105 0.000 2.217 23 M HA 0.098 4.581 4.480 0.005 0.000 0.354 23 M C 0.584 176.804 176.300 -0.134 0.000 1.225 23 M CA 0.080 55.294 55.300 -0.143 0.000 1.137 23 M CB 1.139 33.649 32.600 -0.151 0.000 1.576 23 M HN 0.030 nan 8.290 nan 0.000 0.461 24 T N -0.270 114.177 114.554 -0.179 0.000 2.849 24 T HA 0.233 4.586 4.350 0.005 0.000 0.284 24 T C 0.850 175.465 174.700 -0.142 0.000 1.004 24 T CA -0.992 61.020 62.100 -0.147 0.000 1.021 24 T CB 1.017 69.786 68.868 -0.165 0.000 1.013 24 T HN 0.649 nan 8.240 nan 0.000 0.527 25 L N 1.870 123.038 121.223 -0.092 0.000 2.043 25 L HA -0.003 4.340 4.340 0.005 0.000 0.212 25 L C 2.765 179.589 176.870 -0.077 0.000 1.075 25 L CA 2.553 57.350 54.840 -0.071 0.000 0.752 25 L CB -1.551 40.482 42.059 -0.044 0.000 0.891 25 L HN 0.944 nan 8.230 nan 0.000 0.432 26 A N -0.874 121.898 122.820 -0.079 0.000 1.940 26 A HA -0.254 4.069 4.320 0.005 0.000 0.219 26 A C 2.155 179.673 177.584 -0.110 0.000 1.176 26 A CA 2.013 54.032 52.037 -0.029 0.000 0.631 26 A CB -0.651 18.382 19.000 0.056 0.000 0.814 26 A HN 0.671 nan 8.150 nan 0.000 0.446 27 E N -0.429 119.552 120.200 -0.366 0.000 2.208 27 E HA -0.119 4.235 4.350 0.005 0.000 0.193 27 E C 1.993 178.486 176.600 -0.178 0.000 0.988 27 E CA 0.981 57.110 56.400 -0.453 0.000 0.828 27 E CB -0.070 29.260 29.700 -0.616 0.000 0.763 27 E HN 0.602 nan 8.360 nan 0.000 0.478 28 K N 0.682 121.002 120.400 -0.132 0.000 2.007 28 K HA -0.030 4.294 4.320 0.005 0.000 0.206 28 K C 2.128 178.708 176.600 -0.033 0.000 1.047 28 K CA 0.907 57.147 56.287 -0.079 0.000 0.937 28 K CB -0.040 32.418 32.500 -0.070 0.000 0.718 28 K HN 0.089 nan 8.250 nan 0.000 0.438 29 I N 0.956 121.516 120.570 -0.017 0.000 2.493 29 I HA -0.168 4.006 4.170 0.005 0.000 0.254 29 I C 2.368 178.535 176.117 0.084 0.000 1.160 29 I CA 1.000 62.314 61.300 0.023 0.000 1.445 29 I CB -0.529 37.462 38.000 -0.016 0.000 1.086 29 I HN 0.307 nan 8.210 nan 0.000 0.433 30 G N 0.059 108.906 108.800 0.078 0.000 2.402 30 G HA2 -0.218 3.746 3.960 0.005 0.000 0.216 30 G HA3 -0.218 3.746 3.960 0.005 0.000 0.216 30 G C 1.560 176.497 174.900 0.061 0.000 1.162 30 G CA 0.248 45.420 45.100 0.121 0.000 0.777 30 G HN 0.255 nan 8.290 nan 0.000 0.539 31 Q N -0.100 119.705 119.800 0.009 0.000 2.226 31 Q HA 0.061 4.404 4.340 0.005 0.000 0.204 31 Q C 2.481 178.442 176.000 -0.065 0.000 0.975 31 Q CA 0.847 56.620 55.803 -0.050 0.000 0.866 31 Q CB -0.245 28.445 28.738 -0.080 0.000 0.915 31 Q HN 0.553 nan 8.270 nan 0.000 0.440 32 M N -0.134 119.470 119.600 0.005 0.000 2.618 32 M HA 0.006 4.489 4.480 0.005 0.000 0.240 32 M C 0.040 176.385 176.300 0.074 0.000 1.123 32 M CA 0.427 55.748 55.300 0.036 0.000 1.060 32 M CB 0.296 32.972 32.600 0.126 0.000 1.535 32 M HN -0.198 nan 8.290 nan 0.000 0.507 33 T N 1.257 115.856 114.554 0.076 0.000 2.767 33 T HA 0.296 4.649 4.350 0.005 0.000 0.284 33 T C -0.456 174.202 174.700 -0.068 0.000 0.973 33 T CA -0.532 61.583 62.100 0.026 0.000 0.996 33 T CB 1.690 70.650 68.868 0.153 0.000 0.927 33 T HN 0.196 nan 8.240 nan 0.000 0.456 34 Q N 3.869 123.596 119.800 -0.122 0.000 2.333 34 Q HA 0.612 4.955 4.340 0.005 0.000 0.268 34 Q C -0.870 175.044 176.000 -0.144 0.000 1.007 34 Q CA -0.781 54.959 55.803 -0.105 0.000 0.810 34 Q CB 0.813 29.530 28.738 -0.035 0.000 1.264 34 Q HN 0.826 nan 8.270 nan 0.000 0.452 35 I N -0.519 119.952 120.570 -0.166 0.000 2.750 35 I HA 0.586 4.759 4.170 0.005 0.000 0.308 35 I C -0.149 175.852 176.117 -0.193 0.000 1.016 35 I CA -1.046 60.151 61.300 -0.171 0.000 1.098 35 I CB 1.898 39.791 38.000 -0.179 0.000 1.279 35 I HN 0.420 nan 8.210 nan 0.000 0.454 36 E N 3.079 123.185 120.200 -0.157 0.000 2.373 36 E HA 0.072 4.425 4.350 0.005 0.000 0.267 36 E C 0.878 177.415 176.600 -0.104 0.000 1.032 36 E CA -0.084 56.265 56.400 -0.085 0.000 0.889 36 E CB 1.418 31.101 29.700 -0.028 0.000 0.984 36 E HN 0.775 nan 8.360 nan 0.000 0.425 37 R N 3.408 123.870 120.500 -0.064 0.000 2.127 37 R HA -0.127 4.217 4.340 0.005 0.000 0.238 37 R C 1.994 178.322 176.300 0.048 0.000 1.134 37 R CA 1.138 57.193 56.100 -0.075 0.000 0.975 37 R CB -0.449 29.996 30.300 0.241 0.000 0.865 37 R HN 0.413 nan 8.270 nan 0.000 0.447 38 L N 1.695 122.973 121.223 0.091 0.000 2.353 38 L HA -0.065 4.279 4.340 0.005 0.000 0.220 38 L C 1.818 178.734 176.870 0.075 0.000 1.133 38 L CA 0.758 55.659 54.840 0.101 0.000 0.798 38 L CB -0.045 42.082 42.059 0.113 0.000 0.922 38 L HN 0.296 nan 8.230 nan 0.000 0.445 39 V N -4.557 115.384 119.914 0.045 0.000 3.276 39 V HA 0.506 4.629 4.120 0.005 0.000 0.319 39 V C 0.661 176.776 176.094 0.035 0.000 1.427 39 V CA -0.292 62.055 62.300 0.078 0.000 1.102 39 V CB -0.061 31.848 31.823 0.143 0.000 1.020 39 V HN 0.097 nan 8.190 nan 0.000 0.456 40 A N 0.308 123.097 122.820 -0.052 0.000 2.310 40 A HA 0.822 5.145 4.320 0.005 0.000 0.299 40 A C 0.152 177.762 177.584 0.042 0.000 1.147 40 A CA -0.049 51.902 52.037 -0.143 0.000 0.818 40 A CB 0.941 19.653 19.000 -0.479 0.000 1.096 40 A HN 0.465 nan 8.150 nan 0.000 0.495 41 T N 2.878 117.445 114.554 0.022 0.000 2.900 41 T HA 0.484 4.837 4.350 0.005 0.000 0.303 41 T C -2.184 172.558 174.700 0.070 0.000 1.142 41 T CA -0.786 61.366 62.100 0.087 0.000 1.007 41 T CB 1.969 70.864 68.868 0.045 0.000 1.156 41 T HN 0.315 nan 8.240 nan 0.000 0.490 42 P HA -0.099 nan 4.420 nan 0.000 0.215 42 P C 0.983 178.281 177.300 -0.002 0.000 1.153 42 P CA 1.084 64.222 63.100 0.063 0.000 0.853 42 P CB 0.233 31.964 31.700 0.051 0.000 0.788 43 D N -0.932 119.460 120.400 -0.013 0.000 2.097 43 D HA -0.102 4.542 4.640 0.005 0.000 0.195 43 D C 2.081 178.327 176.300 -0.091 0.000 0.989 43 D CA 1.075 55.047 54.000 -0.047 0.000 0.827 43 D CB -0.775 40.010 40.800 -0.025 0.000 0.966 43 D HN -0.053 nan 8.370 nan 0.000 0.456 44 V N 1.531 121.392 119.914 -0.089 0.000 2.282 44 V HA -0.253 3.870 4.120 0.005 0.000 0.249 44 V C 2.720 178.666 176.094 -0.248 0.000 1.057 44 V CA 1.335 63.529 62.300 -0.177 0.000 1.032 44 V CB -0.566 31.118 31.823 -0.232 0.000 0.645 44 V HN 0.183 nan 8.190 nan 0.000 0.447 45 L N -0.656 120.451 121.223 -0.193 0.000 2.017 45 L HA -0.189 4.154 4.340 0.005 0.000 0.208 45 L C 2.736 179.495 176.870 -0.185 0.000 1.073 45 L CA 1.998 56.731 54.840 -0.178 0.000 0.745 45 L CB -0.625 41.379 42.059 -0.091 0.000 0.894 45 L HN 0.256 nan 8.230 nan 0.000 0.432 46 R N 0.202 120.597 120.500 -0.175 0.000 2.062 46 R HA -0.153 4.190 4.340 0.005 0.000 0.231 46 R C 1.932 177.933 176.300 -0.498 0.000 1.136 46 R CA 1.836 57.794 56.100 -0.237 0.000 0.948 46 R CB -0.145 30.070 30.300 -0.141 0.000 0.845 46 R HN 0.304 nan 8.270 nan 0.000 0.430 47 D N 0.325 120.490 120.400 -0.392 0.000 2.178 47 D HA -0.123 4.520 4.640 0.005 0.000 0.201 47 D C 0.983 176.943 176.300 -0.565 0.000 0.980 47 D CA 1.016 54.745 54.000 -0.451 0.000 0.842 47 D CB -0.231 40.444 40.800 -0.208 0.000 0.948 47 D HN 0.318 nan 8.370 nan 0.000 0.472 48 N N -0.088 118.376 118.700 -0.393 0.000 2.280 48 N HA -0.004 4.739 4.740 0.005 0.000 0.192 48 N C -0.092 175.392 175.510 -0.043 0.000 1.109 48 N CA -0.074 52.866 53.050 -0.183 0.000 0.855 48 N CB 0.532 38.947 38.487 -0.119 0.000 0.974 48 N HN 0.051 nan 8.380 nan 0.000 0.482 49 F N 0.405 120.326 119.950 -0.049 0.000 3.100 49 F HA -0.215 4.315 4.527 0.005 0.000 0.283 49 F C 0.106 175.864 175.800 -0.070 0.000 0.900 49 F CA -0.155 57.815 58.000 -0.050 0.000 1.010 49 F CB -1.993 36.986 39.000 -0.035 0.000 1.029 49 F HN 0.001 nan 8.300 nan 0.000 0.637 50 I N 0.797 121.364 120.570 -0.006 0.000 2.906 50 I HA -0.095 4.079 4.170 0.005 0.000 0.301 50 I C 1.792 177.881 176.117 -0.046 0.000 1.221 50 I CA 1.213 62.480 61.300 -0.054 0.000 1.435 50 I CB -0.137 37.768 38.000 -0.158 0.000 1.345 50 I HN 0.409 nan 8.210 nan 0.000 0.558 51 G N 4.350 113.120 108.800 -0.050 0.000 2.777 51 G HA2 0.095 4.058 3.960 0.005 0.000 0.211 51 G HA3 0.095 4.058 3.960 0.005 0.000 0.211 51 G C 0.582 175.423 174.900 -0.098 0.000 1.149 51 G CA 0.458 45.509 45.100 -0.082 0.000 0.785 51 G HN 0.615 nan 8.290 nan 0.000 0.536 52 S N -1.470 114.176 115.700 -0.091 0.000 2.565 52 S HA 0.645 5.118 4.470 0.005 0.000 0.274 52 S C -1.961 172.562 174.600 -0.128 0.000 1.144 52 S CA -0.657 57.501 58.200 -0.070 0.000 0.849 52 S CB 1.064 64.255 63.200 -0.015 0.000 1.103 52 S HN 0.026 nan 8.310 nan 0.000 0.455 53 L N 3.142 124.251 121.223 -0.190 0.000 2.309 53 L HA 0.867 5.210 4.340 0.005 0.000 0.261 53 L C -0.632 175.913 176.870 -0.542 0.000 1.021 53 L CA -0.608 53.994 54.840 -0.397 0.000 0.823 53 L CB 1.874 43.591 42.059 -0.569 0.000 1.366 53 L HN 0.829 nan 8.230 nan 0.000 0.423 54 L N -1.781 119.141 121.223 -0.501 0.000 2.403 54 L HA 0.895 5.238 4.340 0.005 0.000 0.253 54 L C -0.899 175.903 176.870 -0.114 0.000 1.045 54 L CA -0.438 54.230 54.840 -0.286 0.000 0.845 54 L CB 2.366 44.532 42.059 0.178 0.000 1.447 54 L HN 0.440 nan 8.230 nan 0.000 0.411 55 S N 0.331 116.175 115.700 0.238 0.000 2.707 55 S HA 0.722 5.195 4.470 0.005 0.000 0.312 55 S C 0.021 174.883 174.600 0.436 0.000 1.116 55 S CA -0.085 58.378 58.200 0.438 0.000 1.078 55 S CB 0.767 64.399 63.200 0.719 0.000 0.997 55 S HN 1.142 nan 8.310 nan 0.000 0.477 56 G N 2.352 111.399 108.800 0.410 0.000 2.651 56 G HA2 0.477 4.440 3.960 0.005 0.000 0.260 56 G HA3 0.477 4.440 3.960 0.005 0.000 0.260 56 G C 0.554 175.592 174.900 0.231 0.000 1.216 56 G CA -0.269 44.993 45.100 0.271 0.000 0.913 56 G HN 0.926 nan 8.290 nan 0.000 0.535 57 G N -1.507 107.387 108.800 0.158 0.000 2.178 57 G HA2 0.472 4.436 3.960 0.005 0.000 0.244 57 G HA3 0.472 4.436 3.960 0.005 0.000 0.244 57 G C 1.350 176.387 174.900 0.229 0.000 1.213 57 G CA 0.751 46.047 45.100 0.327 0.000 0.912 57 G HN 2.026 nan 8.290 nan 0.000 0.474 58 G N 1.281 110.272 108.800 0.318 0.000 2.212 58 G HA2 -0.296 3.667 3.960 0.005 0.000 0.266 58 G HA3 -0.296 3.667 3.960 0.005 0.000 0.266 58 G C 0.998 176.051 174.900 0.255 0.000 0.978 58 G CA 0.850 46.111 45.100 0.268 0.000 0.632 58 G HN 1.597 nan 8.290 nan 0.000 0.537 59 S N 0.780 116.645 115.700 0.275 0.000 2.686 59 S HA 0.510 4.983 4.470 0.005 0.000 0.324 59 S C 0.501 175.286 174.600 0.309 0.000 1.172 59 S CA 0.287 58.647 58.200 0.266 0.000 1.127 59 S CB -0.270 63.106 63.200 0.293 0.000 1.338 59 S HN 1.660 nan 8.310 nan 0.000 0.547 60 V N 3.717 123.745 119.914 0.190 0.000 3.074 60 V HA 0.654 4.778 4.120 0.005 0.000 0.314 60 V C -2.084 173.902 176.094 -0.180 0.000 1.117 60 V CA -2.145 60.161 62.300 0.010 0.000 1.014 60 V CB 0.894 32.855 31.823 0.229 0.000 1.057 60 V HN 0.393 nan 8.190 nan 0.000 0.438 61 P HA -0.034 nan 4.420 nan 0.000 0.215 61 P C -0.082 177.106 177.300 -0.187 0.000 1.157 61 P CA 1.708 64.590 63.100 -0.364 0.000 0.874 61 P CB -0.008 31.342 31.700 -0.583 0.000 0.790 62 R N -4.240 116.167 120.500 -0.156 0.000 2.728 62 R HA 0.313 4.657 4.340 0.005 0.000 0.259 62 R C -1.243 175.044 176.300 -0.022 0.000 1.057 62 R CA -1.083 54.977 56.100 -0.067 0.000 0.908 62 R CB 0.431 30.686 30.300 -0.075 0.000 1.259 62 R HN -0.422 nan 8.270 nan 0.000 0.472 63 K N 1.092 121.492 120.400 0.001 0.000 2.524 63 K HA 0.093 4.416 4.320 0.005 0.000 0.279 63 K C 1.040 177.608 176.600 -0.055 0.000 0.993 63 K CA 1.704 57.998 56.287 0.013 0.000 1.030 63 K CB 0.358 32.857 32.500 -0.002 0.000 0.891 63 K HN 0.963 nan 8.250 nan 0.000 0.488 64 G N 1.221 109.978 108.800 -0.072 0.000 2.179 64 G HA2 -0.322 3.642 3.960 0.005 0.000 0.257 64 G HA3 -0.322 3.642 3.960 0.005 0.000 0.257 64 G C 0.397 175.248 174.900 -0.082 0.000 1.010 64 G CA 0.496 45.397 45.100 -0.331 0.000 0.736 64 G HN 0.900 nan 8.290 nan 0.000 0.513 65 A N 0.018 122.890 122.820 0.088 0.000 2.507 65 A HA 0.617 4.941 4.320 0.005 0.000 0.235 65 A C 1.206 178.945 177.584 0.259 0.000 1.070 65 A CA 1.277 53.376 52.037 0.104 0.000 0.768 65 A CB 0.150 19.135 19.000 -0.025 0.000 1.011 65 A HN 1.866 nan 8.150 nan 0.000 0.502 66 T N -1.342 113.328 114.554 0.193 0.000 2.824 66 T HA 0.541 4.895 4.350 0.005 0.000 0.277 66 T C 1.308 176.200 174.700 0.320 0.000 0.975 66 T CA -0.047 62.185 62.100 0.221 0.000 0.966 66 T CB 1.141 70.082 68.868 0.122 0.000 1.054 66 T HN 1.274 nan 8.240 nan 0.000 0.533 67 A N 0.535 123.488 122.820 0.222 0.000 1.972 67 A HA -0.016 4.307 4.320 0.005 0.000 0.219 67 A C 2.301 180.001 177.584 0.193 0.000 1.169 67 A CA 1.586 53.740 52.037 0.196 0.000 0.635 67 A CB -0.895 18.156 19.000 0.086 0.000 0.810 67 A HN 0.791 nan 8.150 nan 0.000 0.446 68 K N 0.210 120.687 120.400 0.129 0.000 2.097 68 K HA -0.083 4.240 4.320 0.005 0.000 0.205 68 K C 1.887 178.531 176.600 0.072 0.000 1.050 68 K CA 1.616 57.952 56.287 0.082 0.000 0.938 68 K CB -0.221 32.307 32.500 0.046 0.000 0.718 68 K HN 0.667 nan 8.250 nan 0.000 0.442 69 E N -1.302 118.943 120.200 0.076 0.000 2.077 69 E HA -0.210 4.143 4.350 0.005 0.000 0.193 69 E C 1.853 178.418 176.600 -0.058 0.000 0.989 69 E CA 1.358 57.746 56.400 -0.020 0.000 0.800 69 E CB -0.213 29.450 29.700 -0.062 0.000 0.746 69 E HN 0.377 nan 8.360 nan 0.000 0.452 70 W N 1.567 122.848 121.300 -0.031 0.000 2.379 70 W HA -0.137 4.526 4.660 0.005 0.000 0.307 70 W C 2.488 178.956 176.519 -0.086 0.000 1.200 70 W CA 0.925 58.236 57.345 -0.056 0.000 1.297 70 W CB -0.398 29.037 29.460 -0.043 0.000 1.140 70 W HN 0.084 nan 8.180 nan 0.000 0.507 71 Q N -0.059 119.847 119.800 0.177 0.000 2.112 71 Q HA -0.230 4.113 4.340 0.005 0.000 0.206 71 Q C 1.666 177.680 176.000 0.023 0.000 0.987 71 Q CA 1.789 57.643 55.803 0.085 0.000 0.858 71 Q CB -0.474 28.309 28.738 0.074 0.000 0.905 71 Q HN 0.275 nan 8.270 nan 0.000 0.420 72 D N 0.174 120.565 120.400 -0.015 0.000 2.144 72 D HA -0.161 4.483 4.640 0.005 0.000 0.200 72 D C 1.752 177.965 176.300 -0.146 0.000 0.978 72 D CA 0.946 54.905 54.000 -0.068 0.000 0.833 72 D CB -0.203 40.551 40.800 -0.078 0.000 0.961 72 D HN 0.255 nan 8.370 nan 0.000 0.470 73 M N 0.541 120.024 119.600 -0.195 0.000 2.067 73 M HA -0.166 4.317 4.480 0.005 0.000 0.260 73 M C 1.989 178.055 176.300 -0.390 0.000 1.069 73 M CA 1.315 56.392 55.300 -0.373 0.000 1.117 73 M CB 0.018 32.414 32.600 -0.339 0.000 1.334 73 M HN -0.156 nan 8.290 nan 0.000 0.407 74 V N 1.039 120.878 119.914 -0.126 0.000 2.295 74 V HA -0.298 3.825 4.120 0.005 0.000 0.246 74 V C 1.917 178.071 176.094 0.100 0.000 1.049 74 V CA 2.168 64.494 62.300 0.044 0.000 1.024 74 V CB -1.070 30.741 31.823 -0.019 0.000 0.648 74 V HN 0.480 nan 8.190 nan 0.000 0.447 75 D N 0.606 121.047 120.400 0.069 0.000 2.149 75 D HA -0.122 4.522 4.640 0.005 0.000 0.198 75 D C 2.207 178.579 176.300 0.120 0.000 0.990 75 D CA 1.628 55.734 54.000 0.177 0.000 0.839 75 D CB -0.602 40.270 40.800 0.120 0.000 0.948 75 D HN 0.471 nan 8.370 nan 0.000 0.460 76 G N 0.146 108.907 108.800 -0.064 0.000 2.446 76 G HA2 -0.265 3.699 3.960 0.005 0.000 0.217 76 G HA3 -0.265 3.699 3.960 0.005 0.000 0.217 76 G C 1.384 176.286 174.900 0.002 0.000 1.168 76 G CA 0.396 45.425 45.100 -0.118 0.000 0.771 76 G HN 0.168 nan 8.290 nan 0.000 0.551 77 F N 0.802 120.804 119.950 0.087 0.000 2.134 77 F HA -0.022 4.508 4.527 0.005 0.000 0.299 77 F C 2.813 178.655 175.800 0.070 0.000 1.097 77 F CA 1.220 59.269 58.000 0.081 0.000 1.264 77 F CB -0.961 38.120 39.000 0.134 0.000 1.001 77 F HN 0.167 nan 8.300 nan 0.000 0.479 78 Q N 0.882 120.849 119.800 0.278 0.000 2.084 78 Q HA -0.172 4.171 4.340 0.005 0.000 0.202 78 Q C 2.050 178.143 176.000 0.156 0.000 0.978 78 Q CA 1.767 57.650 55.803 0.133 0.000 0.844 78 Q CB -0.252 28.496 28.738 0.018 0.000 0.898 78 Q HN 0.285 nan 8.270 nan 0.000 0.426 79 K N -0.545 120.023 120.400 0.281 0.000 2.103 79 K HA -0.139 4.184 4.320 0.005 0.000 0.207 79 K C 2.005 178.687 176.600 0.137 0.000 1.048 79 K CA 1.089 57.526 56.287 0.251 0.000 0.930 79 K CB -0.272 32.328 32.500 0.167 0.000 0.716 79 K HN 0.297 nan 8.250 nan 0.000 0.444 80 A N 1.093 123.983 122.820 0.117 0.000 1.858 80 A HA -0.206 4.117 4.320 0.005 0.000 0.216 80 A C 2.458 180.069 177.584 0.046 0.000 1.190 80 A CA 1.688 53.769 52.037 0.074 0.000 0.617 80 A CB -1.027 18.026 19.000 0.088 0.000 0.827 80 A HN 0.437 nan 8.150 nan 0.000 0.443 81 C N -0.834 118.493 119.300 0.045 0.000 2.425 81 C HA -0.089 4.374 4.460 0.005 0.000 0.277 81 C C 2.758 177.755 174.990 0.012 0.000 1.280 81 C CA 1.198 60.221 59.018 0.010 0.000 1.744 81 C CB -1.076 26.653 27.740 -0.019 0.000 1.989 81 C HN 0.558 nan 8.230 nan 0.000 0.491 82 M N 1.820 121.432 119.600 0.021 0.000 2.460 82 M HA -0.057 4.426 4.480 0.005 0.000 0.263 82 M C 2.206 178.547 176.300 0.069 0.000 1.071 82 M CA 1.407 56.725 55.300 0.031 0.000 1.096 82 M CB -1.390 31.255 32.600 0.075 0.000 1.408 82 M HN 0.606 nan 8.290 nan 0.000 0.463 83 S N -0.741 115.000 115.700 0.067 0.000 2.603 83 S HA 0.009 4.482 4.470 0.005 0.000 0.220 83 S C 0.976 175.618 174.600 0.070 0.000 0.967 83 S CA 0.054 58.293 58.200 0.065 0.000 0.920 83 S CB -1.029 62.200 63.200 0.049 0.000 0.773 83 S HN 0.547 nan 8.310 nan 0.000 0.529 84 T N -0.629 113.978 114.554 0.088 0.000 2.766 84 T HA 0.295 4.649 4.350 0.005 0.000 0.295 84 T C 0.988 175.791 174.700 0.171 0.000 1.024 84 T CA -0.669 61.522 62.100 0.152 0.000 1.018 84 T CB 0.845 69.867 68.868 0.256 0.000 1.002 84 T HN 0.279 nan 8.240 nan 0.000 0.532 85 R N -0.107 120.525 120.500 0.220 0.000 2.103 85 R HA -0.078 4.265 4.340 0.005 0.000 0.242 85 R C 1.936 178.327 176.300 0.152 0.000 1.142 85 R CA 1.634 57.832 56.100 0.162 0.000 0.960 85 R CB -0.498 29.893 30.300 0.153 0.000 0.858 85 R HN 0.778 nan 8.270 nan 0.000 0.439 86 L N -0.896 120.419 121.223 0.153 0.000 2.477 86 L HA 0.234 4.577 4.340 0.005 0.000 0.220 86 L C 0.990 178.004 176.870 0.239 0.000 1.106 86 L CA 0.343 55.298 54.840 0.191 0.000 0.851 86 L CB 0.243 42.334 42.059 0.053 0.000 0.994 86 L HN 0.515 nan 8.230 nan 0.000 0.462 87 G N 2.066 110.963 108.800 0.161 0.000 2.350 87 G HA2 -0.285 3.679 3.960 0.005 0.000 0.298 87 G HA3 -0.285 3.679 3.960 0.005 0.000 0.298 87 G C 0.039 174.961 174.900 0.036 0.000 1.037 87 G CA -0.078 45.090 45.100 0.112 0.000 1.074 87 G HN 0.318 nan 8.290 nan 0.000 0.511 88 I N 2.250 122.804 120.570 -0.026 0.000 2.322 88 I HA 0.201 4.374 4.170 0.005 0.000 0.292 88 I C -1.226 174.692 176.117 -0.333 0.000 1.060 88 I CA -2.074 59.094 61.300 -0.220 0.000 1.309 88 I CB 0.976 38.905 38.000 -0.118 0.000 1.415 88 I HN 0.061 nan 8.210 nan 0.000 0.492 89 P HA 0.060 nan 4.420 nan 0.000 0.269 89 P C -0.710 176.396 177.300 -0.323 0.000 1.209 89 P CA -0.412 62.424 63.100 -0.440 0.000 0.776 89 P CB 0.882 32.240 31.700 -0.570 0.000 0.876 90 M N 2.737 122.227 119.600 -0.182 0.000 2.288 90 M HA 0.493 4.977 4.480 0.005 0.000 0.334 90 M C -0.394 175.875 176.300 -0.052 0.000 1.150 90 M CA -0.364 54.874 55.300 -0.103 0.000 1.118 90 M CB 0.577 33.152 32.600 -0.042 0.000 1.501 90 M HN 0.257 nan 8.290 nan 0.000 0.462 91 I N 2.592 123.157 120.570 -0.008 0.000 2.339 91 I HA 0.385 4.558 4.170 0.005 0.000 0.290 91 I C -1.769 174.460 176.117 0.188 0.000 0.994 91 I CA -0.831 60.517 61.300 0.079 0.000 1.191 91 I CB 0.722 38.755 38.000 0.056 0.000 1.343 91 I HN 0.798 nan 8.210 nan 0.000 0.458 92 Y N 6.834 127.210 120.300 0.126 0.000 2.350 92 Y HA 0.621 5.174 4.550 0.005 0.000 0.340 92 Y C 0.383 176.367 175.900 0.140 0.000 1.006 92 Y CA -0.357 57.831 58.100 0.148 0.000 1.166 92 Y CB 1.333 39.887 38.460 0.157 0.000 1.168 92 Y HN 0.575 nan 8.280 nan 0.000 0.502 93 G N 5.833 114.695 108.800 0.104 0.000 2.441 93 G HA2 0.655 4.618 3.960 0.005 0.000 0.334 93 G HA3 0.655 4.618 3.960 0.005 0.000 0.334 93 G C -1.769 172.960 174.900 -0.284 0.000 1.161 93 G CA -0.716 44.195 45.100 -0.315 0.000 0.935 93 G HN 0.776 nan 8.290 nan 0.000 0.488 94 I N -0.762 119.388 120.570 -0.701 0.000 2.984 94 I HA 0.279 4.452 4.170 0.005 0.000 0.303 94 I C -1.407 174.566 176.117 -0.241 0.000 1.381 94 I CA -0.973 60.227 61.300 -0.166 0.000 0.988 94 I CB 2.568 40.610 38.000 0.071 0.000 1.307 94 I HN 0.334 nan 8.210 nan 0.000 0.460 95 D N 5.894 126.351 120.400 0.095 0.000 2.517 95 D HA 0.307 4.950 4.640 0.005 0.000 0.220 95 D C -0.269 175.998 176.300 -0.055 0.000 1.158 95 D CA 0.121 54.117 54.000 -0.006 0.000 0.992 95 D CB 1.070 41.772 40.800 -0.163 0.000 1.058 95 D HN 0.496 nan 8.370 nan 0.000 0.516 96 A N 2.003 124.766 122.820 -0.096 0.000 2.880 96 A HA 0.275 4.598 4.320 0.005 0.000 0.328 96 A C 1.269 178.823 177.584 -0.050 0.000 1.440 96 A CA -0.612 51.395 52.037 -0.050 0.000 1.068 96 A CB -0.102 18.847 19.000 -0.085 0.000 1.163 96 A HN 0.360 nan 8.150 nan 0.000 0.510 97 V N -0.564 119.337 119.914 -0.021 0.000 3.590 97 V HA 0.211 4.335 4.120 0.005 0.000 0.265 97 V C 0.650 176.819 176.094 0.125 0.000 1.239 97 V CA 1.433 63.707 62.300 -0.044 0.000 1.117 97 V CB -1.677 29.992 31.823 -0.256 0.000 0.818 97 V HN 0.997 nan 8.190 nan 0.000 0.451 98 H N -1.631 117.437 119.070 -0.004 0.000 3.385 98 H HA 0.639 5.198 4.556 0.005 0.000 0.205 98 H C 0.166 175.586 175.328 0.154 0.000 1.317 98 H CA -0.193 55.867 56.048 0.020 0.000 1.289 98 H CB 0.187 29.862 29.762 -0.144 0.000 2.427 98 H HN 0.691 nan 8.280 nan 0.000 0.522 99 G N 1.226 110.126 108.800 0.167 0.000 2.434 99 G HA2 -0.208 3.755 3.960 0.005 0.000 0.671 99 G HA3 -0.208 3.755 3.960 0.005 0.000 0.671 99 G C -0.857 174.062 174.900 0.032 0.000 1.280 99 G CA -0.541 44.671 45.100 0.187 0.000 0.975 99 G HN 0.481 nan 8.290 nan 0.000 0.510 100 Q N 0.745 120.533 119.800 -0.019 0.000 3.247 100 Q HA 0.289 4.632 4.340 0.005 0.000 0.326 100 Q C 1.749 177.703 176.000 -0.076 0.000 1.402 100 Q CA 0.863 56.615 55.803 -0.084 0.000 0.994 100 Q CB -0.978 27.670 28.738 -0.149 0.000 1.647 100 Q HN 0.696 nan 8.270 nan 0.000 0.523 101 N N -0.091 118.611 118.700 0.003 0.000 2.334 101 N HA -0.246 4.498 4.740 0.005 0.000 0.187 101 N C 0.655 176.245 175.510 0.134 0.000 1.016 101 N CA 1.906 54.993 53.050 0.061 0.000 0.879 101 N CB -0.139 38.495 38.487 0.245 0.000 0.965 101 N HN 0.470 nan 8.380 nan 0.000 0.438 102 N N -0.767 118.010 118.700 0.127 0.000 2.354 102 N HA 0.046 4.789 4.740 0.005 0.000 0.179 102 N C -0.616 174.991 175.510 0.161 0.000 1.021 102 N CA 0.211 53.383 53.050 0.204 0.000 0.887 102 N CB 0.329 38.968 38.487 0.254 0.000 0.974 102 N HN 0.001 nan 8.380 nan 0.000 0.437 103 V N 1.726 121.608 119.914 -0.054 0.000 2.555 103 V HA -0.031 4.092 4.120 0.005 0.000 0.286 103 V C -0.259 175.872 176.094 0.062 0.000 1.044 103 V CA -0.448 61.806 62.300 -0.077 0.000 1.026 103 V CB 0.102 31.653 31.823 -0.452 0.000 0.981 103 V HN 0.182 nan 8.190 nan 0.000 0.480 104 Y N 4.170 124.536 120.300 0.111 0.000 2.526 104 Y HA 0.431 4.984 4.550 0.005 0.000 0.330 104 Y C 1.271 177.189 175.900 0.031 0.000 1.156 104 Y CA 1.069 59.218 58.100 0.081 0.000 1.419 104 Y CB 0.573 39.105 38.460 0.119 0.000 1.250 104 Y HN 0.932 nan 8.280 nan 0.000 0.540 105 G N 3.149 111.495 108.800 -0.756 0.000 2.176 105 G HA2 -0.242 3.721 3.960 0.005 0.000 0.253 105 G HA3 -0.242 3.721 3.960 0.005 0.000 0.253 105 G C 0.193 174.939 174.900 -0.258 0.000 0.979 105 G CA -0.019 44.776 45.100 -0.507 0.000 0.641 105 G HN 1.254 nan 8.290 nan 0.000 0.530 106 A N 0.401 123.095 122.820 -0.210 0.000 2.371 106 A HA 0.652 4.975 4.320 0.005 0.000 0.257 106 A C 0.855 178.317 177.584 -0.203 0.000 1.089 106 A CA 0.952 52.893 52.037 -0.160 0.000 0.794 106 A CB 0.280 19.195 19.000 -0.141 0.000 1.029 106 A HN 0.835 nan 8.150 nan 0.000 0.488 107 T N 3.468 117.906 114.554 -0.193 0.000 2.829 107 T HA 0.236 4.589 4.350 0.005 0.000 0.293 107 T C 0.235 174.650 174.700 -0.474 0.000 0.970 107 T CA 0.438 62.322 62.100 -0.359 0.000 1.168 107 T CB -0.322 68.288 68.868 -0.430 0.000 0.911 107 T HN 0.326 nan 8.240 nan 0.000 0.535 108 I N 5.085 125.359 120.570 -0.493 0.000 2.307 108 I HA 0.329 4.502 4.170 0.005 0.000 0.289 108 I C 0.118 175.931 176.117 -0.507 0.000 1.021 108 I CA -0.793 60.208 61.300 -0.500 0.000 1.224 108 I CB -0.176 37.576 38.000 -0.414 0.000 1.376 108 I HN 0.500 nan 8.210 nan 0.000 0.470 109 F N 7.014 126.794 119.950 -0.282 0.000 2.370 109 F HA 0.421 4.951 4.527 0.005 0.000 0.319 109 F C -1.727 174.033 175.800 -0.068 0.000 1.129 109 F CA -2.057 55.863 58.000 -0.134 0.000 1.109 109 F CB 0.001 38.949 39.000 -0.087 0.000 1.262 109 F HN 0.275 nan 8.300 nan 0.000 0.534 110 P HA -0.006 nan 4.420 nan 0.000 0.267 110 P C -0.473 176.942 177.300 0.191 0.000 1.200 110 P CA 0.242 63.450 63.100 0.179 0.000 0.772 110 P CB 0.315 32.126 31.700 0.186 0.000 0.855 111 H N 2.053 121.253 119.070 0.216 0.000 2.671 111 H HA 0.076 4.635 4.556 0.005 0.000 0.372 111 H C 1.454 176.813 175.328 0.052 0.000 1.227 111 H CA 0.269 56.388 56.048 0.117 0.000 1.426 111 H CB 0.501 30.303 29.762 0.067 0.000 1.480 111 H HN 0.397 nan 8.280 nan 0.000 0.611 112 N N 0.783 119.558 118.700 0.126 0.000 2.049 112 N HA -0.208 4.536 4.740 0.005 0.000 0.198 112 N C 2.064 177.535 175.510 -0.066 0.000 1.030 112 N CA 1.342 54.329 53.050 -0.105 0.000 0.870 112 N CB -0.699 37.448 38.487 -0.566 0.000 1.045 112 N HN 0.414 nan 8.380 nan 0.000 0.434 113 V N 0.829 120.669 119.914 -0.123 0.000 2.317 113 V HA -0.227 3.896 4.120 0.005 0.000 0.251 113 V C 2.042 177.818 176.094 -0.530 0.000 1.065 113 V CA 2.597 64.716 62.300 -0.303 0.000 1.049 113 V CB -1.101 30.511 31.823 -0.352 0.000 0.651 113 V HN 0.423 nan 8.190 nan 0.000 0.450 114 G N -0.637 107.924 108.800 -0.398 0.000 2.402 114 G HA2 -0.188 3.776 3.960 0.005 0.000 0.216 114 G HA3 -0.188 3.776 3.960 0.005 0.000 0.216 114 G C 1.525 176.385 174.900 -0.066 0.000 1.162 114 G CA 1.035 45.931 45.100 -0.340 0.000 0.777 114 G HN 0.548 nan 8.290 nan 0.000 0.539 115 L N 0.864 122.111 121.223 0.041 0.000 2.191 115 L HA 0.016 4.360 4.340 0.005 0.000 0.212 115 L C 3.037 179.956 176.870 0.080 0.000 1.103 115 L CA 0.773 55.675 54.840 0.104 0.000 0.769 115 L CB -0.468 41.709 42.059 0.197 0.000 0.908 115 L HN 0.339 nan 8.230 nan 0.000 0.438 116 G N -0.420 108.424 108.800 0.073 0.000 2.421 116 G HA2 -0.148 3.816 3.960 0.005 0.000 0.217 116 G HA3 -0.148 3.816 3.960 0.005 0.000 0.217 116 G C 1.734 176.637 174.900 0.006 0.000 1.143 116 G CA 0.623 45.750 45.100 0.046 0.000 0.784 116 G HN 0.440 nan 8.290 nan 0.000 0.541 117 A N 0.862 123.669 122.820 -0.022 0.000 2.121 117 A HA 0.036 4.360 4.320 0.005 0.000 0.218 117 A C 2.549 180.198 177.584 0.107 0.000 1.154 117 A CA 2.295 54.380 52.037 0.081 0.000 0.679 117 A CB -0.733 18.393 19.000 0.210 0.000 0.795 117 A HN 0.487 nan 8.150 nan 0.000 0.458 118 T N -4.485 110.114 114.554 0.075 0.000 2.985 118 T HA -0.027 4.326 4.350 0.005 0.000 0.266 118 T C 1.019 175.744 174.700 0.041 0.000 1.076 118 T CA 0.603 62.741 62.100 0.064 0.000 1.135 118 T CB -0.162 68.734 68.868 0.046 0.000 0.890 118 T HN 0.402 nan 8.240 nan 0.000 0.480 119 R N 1.262 121.776 120.500 0.024 0.000 3.758 119 R HA -0.127 4.216 4.340 0.005 0.000 0.299 119 R C -0.784 175.516 176.300 0.001 0.000 1.182 119 R CA 1.005 57.110 56.100 0.008 0.000 0.809 119 R CB -2.627 27.688 30.300 0.025 0.000 1.249 119 R HN 0.608 nan 8.270 nan 0.000 0.497 120 D N -0.210 120.188 120.400 -0.004 0.000 2.462 120 D HA 0.307 4.950 4.640 0.005 0.000 0.249 120 D C -1.705 174.586 176.300 -0.015 0.000 1.117 120 D CA -2.252 51.753 54.000 0.009 0.000 0.900 120 D CB 1.227 42.041 40.800 0.024 0.000 1.039 120 D HN -0.066 nan 8.370 nan 0.000 0.516 121 P HA -0.135 nan 4.420 nan 0.000 0.217 121 P C 1.148 178.451 177.300 0.004 0.000 1.150 121 P CA 0.658 63.727 63.100 -0.052 0.000 0.832 121 P CB 0.103 31.773 31.700 -0.051 0.000 0.787 122 Y N 0.571 120.827 120.300 -0.074 0.000 2.224 122 Y HA -0.160 4.393 4.550 0.005 0.000 0.289 122 Y C 2.036 177.897 175.900 -0.065 0.000 1.146 122 Y CA 0.994 59.056 58.100 -0.064 0.000 1.182 122 Y CB -1.096 37.336 38.460 -0.046 0.000 0.983 122 Y HN -0.201 nan 8.280 nan 0.000 0.524 123 L N -0.538 120.610 121.223 -0.125 0.000 2.012 123 L HA -0.162 4.182 4.340 0.005 0.000 0.210 123 L C 2.251 178.988 176.870 -0.220 0.000 1.073 123 L CA 1.931 56.652 54.840 -0.198 0.000 0.748 123 L CB -1.104 40.910 42.059 -0.075 0.000 0.891 123 L HN 0.082 nan 8.230 nan 0.000 0.431 124 V N 0.094 119.912 119.914 -0.161 0.000 2.332 124 V HA -0.326 3.797 4.120 0.005 0.000 0.248 124 V C 2.673 178.642 176.094 -0.209 0.000 1.055 124 V CA 2.193 64.391 62.300 -0.169 0.000 1.038 124 V CB -0.889 30.838 31.823 -0.160 0.000 0.651 124 V HN 0.564 nan 8.190 nan 0.000 0.450 125 K N 0.172 120.452 120.400 -0.201 0.000 2.057 125 K HA -0.219 4.104 4.320 0.005 0.000 0.207 125 K C 2.395 178.837 176.600 -0.263 0.000 1.049 125 K CA 1.647 57.821 56.287 -0.188 0.000 0.931 125 K CB -0.118 32.318 32.500 -0.106 0.000 0.714 125 K HN 0.322 nan 8.250 nan 0.000 0.440 126 R N 0.413 120.680 120.500 -0.389 0.000 2.096 126 R HA -0.050 4.293 4.340 0.005 0.000 0.235 126 R C 2.306 178.408 176.300 -0.330 0.000 1.127 126 R CA 1.551 57.427 56.100 -0.374 0.000 0.968 126 R CB -0.242 29.785 30.300 -0.456 0.000 0.861 126 R HN 0.277 nan 8.270 nan 0.000 0.440 127 I N -0.392 119.949 120.570 -0.383 0.000 2.226 127 I HA -0.184 3.989 4.170 0.005 0.000 0.245 127 I C 2.447 178.225 176.117 -0.564 0.000 1.100 127 I CA 1.474 62.398 61.300 -0.627 0.000 1.374 127 I CB -0.619 36.987 38.000 -0.657 0.000 1.057 127 I HN 0.341 nan 8.210 nan 0.000 0.413 128 G N 0.510 109.097 108.800 -0.356 0.000 2.432 128 G HA2 -0.218 3.745 3.960 0.005 0.000 0.219 128 G HA3 -0.218 3.745 3.960 0.005 0.000 0.219 128 G C 1.480 176.245 174.900 -0.226 0.000 1.135 128 G CA 0.589 45.536 45.100 -0.255 0.000 0.767 128 G HN 0.453 nan 8.290 nan 0.000 0.550 129 E N 0.685 120.751 120.200 -0.223 0.000 2.047 129 E HA 0.010 4.363 4.350 0.005 0.000 0.191 129 E C 2.943 179.407 176.600 -0.225 0.000 0.987 129 E CA 0.730 57.026 56.400 -0.174 0.000 0.799 129 E CB -0.226 29.389 29.700 -0.142 0.000 0.752 129 E HN 0.391 nan 8.360 nan 0.000 0.449 130 A N 1.237 123.859 122.820 -0.330 0.000 1.933 130 A HA -0.175 4.149 4.320 0.005 0.000 0.218 130 A C 2.386 179.734 177.584 -0.393 0.000 1.175 130 A CA 1.885 53.601 52.037 -0.536 0.000 0.628 130 A CB -0.891 17.830 19.000 -0.465 0.000 0.814 130 A HN 0.171 nan 8.150 nan 0.000 0.444 131 T N 0.254 114.626 114.554 -0.305 0.000 2.708 131 T HA -0.007 4.346 4.350 0.005 0.000 0.266 131 T C 2.259 176.881 174.700 -0.129 0.000 1.037 131 T CA 1.565 63.557 62.100 -0.181 0.000 1.146 131 T CB -0.474 68.263 68.868 -0.218 0.000 0.865 131 T HN 0.603 nan 8.240 nan 0.000 0.435 132 A N 1.339 124.081 122.820 -0.130 0.000 1.883 132 A HA -0.038 4.285 4.320 0.005 0.000 0.217 132 A C 2.317 179.864 177.584 -0.062 0.000 1.186 132 A CA 1.325 53.312 52.037 -0.083 0.000 0.624 132 A CB -0.952 18.006 19.000 -0.071 0.000 0.822 132 A HN 0.474 nan 8.150 nan 0.000 0.444 133 L N -0.775 120.408 121.223 -0.067 0.000 2.012 133 L HA -0.224 4.119 4.340 0.005 0.000 0.210 133 L C 2.609 179.486 176.870 0.012 0.000 1.073 133 L CA 1.785 56.621 54.840 -0.008 0.000 0.748 133 L CB -0.586 41.496 42.059 0.038 0.000 0.891 133 L HN 0.473 nan 8.230 nan 0.000 0.431 134 E N -0.627 119.569 120.200 -0.006 0.000 2.208 134 E HA -0.140 4.213 4.350 0.005 0.000 0.193 134 E C 2.244 178.808 176.600 -0.061 0.000 0.988 134 E CA 0.814 57.217 56.400 0.004 0.000 0.828 134 E CB 0.144 29.863 29.700 0.032 0.000 0.763 134 E HN 0.314 nan 8.360 nan 0.000 0.478 135 V N 1.083 120.953 119.914 -0.073 0.000 2.346 135 V HA -0.166 3.957 4.120 0.005 0.000 0.244 135 V C 2.241 178.292 176.094 -0.071 0.000 1.037 135 V CA 1.241 63.481 62.300 -0.100 0.000 1.029 135 V CB -0.291 31.480 31.823 -0.086 0.000 0.663 135 V HN 0.146 nan 8.190 nan 0.000 0.454 136 R N 0.426 120.904 120.500 -0.036 0.000 2.152 136 R HA -0.037 4.306 4.340 0.005 0.000 0.232 136 R C 2.278 178.576 176.300 -0.004 0.000 1.117 136 R CA 1.338 57.431 56.100 -0.012 0.000 0.981 136 R CB -1.058 29.242 30.300 -0.000 0.000 0.870 136 R HN 0.528 nan 8.270 nan 0.000 0.451 137 A N 0.590 123.404 122.820 -0.010 0.000 2.076 137 A HA -0.123 4.200 4.320 0.005 0.000 0.220 137 A C 1.794 179.377 177.584 -0.002 0.000 1.160 137 A CA 1.922 53.960 52.037 0.002 0.000 0.653 137 A CB -0.439 18.563 19.000 0.004 0.000 0.801 137 A HN 0.451 nan 8.150 nan 0.000 0.455 138 T N -5.340 109.190 114.554 -0.039 0.000 3.134 138 T HA 0.442 4.796 4.350 0.005 0.000 0.260 138 T C 1.234 175.959 174.700 0.042 0.000 1.027 138 T CA 0.933 63.025 62.100 -0.013 0.000 0.913 138 T CB 0.152 68.866 68.868 -0.258 0.000 1.046 138 T HN 1.614 nan 8.240 nan 0.000 0.553 139 G N 1.598 110.412 108.800 0.022 0.000 2.162 139 G HA2 -0.228 3.735 3.960 0.005 0.000 0.260 139 G HA3 -0.228 3.735 3.960 0.005 0.000 0.260 139 G C 0.016 174.922 174.900 0.010 0.000 0.976 139 G CA 0.193 45.312 45.100 0.032 0.000 0.655 139 G HN 0.671 nan 8.290 nan 0.000 0.533 140 I N -0.016 120.544 120.570 -0.016 0.000 2.440 140 I HA 0.380 4.553 4.170 0.005 0.000 0.294 140 I C 1.031 177.175 176.117 0.046 0.000 0.995 140 I CA -0.495 60.812 61.300 0.011 0.000 1.306 140 I CB 1.632 39.622 38.000 -0.017 0.000 1.407 140 I HN 0.075 nan 8.210 nan 0.000 0.501 141 Q N 4.644 124.508 119.800 0.106 0.000 2.159 141 Q HA 0.225 4.568 4.340 0.005 0.000 0.217 141 Q C -1.119 174.970 176.000 0.148 0.000 0.818 141 Q CA -0.041 55.816 55.803 0.089 0.000 1.008 141 Q CB 0.599 29.377 28.738 0.067 0.000 1.148 141 Q HN 0.535 nan 8.270 nan 0.000 0.491 142 Y N 0.418 120.690 120.300 -0.047 0.000 2.401 142 Y HA 0.696 5.249 4.550 0.006 0.000 0.330 142 Y C -1.820 173.915 175.900 -0.274 0.000 1.071 142 Y CA -2.218 55.810 58.100 -0.119 0.000 1.049 142 Y CB 1.017 39.435 38.460 -0.069 0.000 1.239 142 Y HN -0.064 nan 8.280 nan 0.000 0.437 143 A N 5.372 128.074 122.820 -0.198 0.000 2.331 143 A HA 0.658 4.981 4.320 0.005 0.000 0.320 143 A C -1.601 175.714 177.584 -0.449 0.000 1.138 143 A CA -0.566 51.227 52.037 -0.407 0.000 0.790 143 A CB 0.162 19.060 19.000 -0.170 0.000 1.206 143 A HN 0.533 nan 8.150 nan 0.000 0.470 144 F N 1.947 121.705 119.950 -0.320 0.000 2.659 144 F HA 0.494 5.025 4.527 0.006 0.000 0.360 144 F C 0.974 176.648 175.800 -0.211 0.000 1.218 144 F CA 0.203 58.031 58.000 -0.287 0.000 1.317 144 F CB -0.616 38.225 39.000 -0.264 0.000 1.697 144 F HN 0.681 nan 8.300 nan 0.000 0.637 145 A N 1.832 124.645 122.820 -0.011 0.000 2.609 145 A HA 0.817 5.140 4.320 0.005 0.000 0.291 145 A C -2.984 174.586 177.584 -0.024 0.000 1.096 145 A CA -1.570 50.436 52.037 -0.052 0.000 0.684 145 A CB 2.064 21.020 19.000 -0.074 0.000 1.282 145 A HN 0.026 nan 8.150 nan 0.000 0.412 146 P HA 0.357 nan 4.420 nan 0.000 0.284 146 P C -0.323 176.914 177.300 -0.106 0.000 1.258 146 P CA -0.388 62.688 63.100 -0.040 0.000 0.824 146 P CB 1.390 33.129 31.700 0.065 0.000 1.038 147 C N 5.244 124.442 119.300 -0.170 0.000 2.416 147 C HA 0.378 4.842 4.460 0.005 0.000 0.355 147 C C 1.455 176.357 174.990 -0.147 0.000 1.211 147 C CA -0.622 58.266 59.018 -0.216 0.000 1.699 147 C CB -2.584 25.022 27.740 -0.222 0.000 2.310 147 C HN 0.502 nan 8.230 nan 0.000 0.539 148 I N 4.114 124.612 120.570 -0.120 0.000 3.712 148 I HA 0.466 4.639 4.170 0.005 0.000 0.342 148 I C 0.835 176.948 176.117 -0.006 0.000 1.487 148 I CA -0.275 60.982 61.300 -0.071 0.000 1.179 148 I CB -0.583 37.279 38.000 -0.229 0.000 1.403 148 I HN 0.624 nan 8.210 nan 0.000 0.444 149 A N 1.243 124.118 122.820 0.091 0.000 2.332 149 A HA 0.606 4.929 4.320 0.005 0.000 0.258 149 A C 0.156 177.853 177.584 0.188 0.000 1.087 149 A CA -0.261 51.905 52.037 0.214 0.000 0.802 149 A CB 0.875 20.118 19.000 0.405 0.000 1.042 149 A HN 0.303 nan 8.150 nan 0.000 0.489 150 V N 1.842 121.878 119.914 0.204 0.000 2.250 150 V HA 0.126 4.249 4.120 0.005 0.000 0.268 150 V C 0.250 176.438 176.094 0.157 0.000 1.043 150 V CA -0.671 61.708 62.300 0.132 0.000 0.814 150 V CB 0.288 32.111 31.823 0.001 0.000 1.072 150 V HN 0.988 nan 8.190 nan 0.000 0.451 151 c N 6.670 125.400 118.600 0.216 0.000 2.601 151 c HA 0.152 4.725 4.570 0.005 0.000 0.405 151 c C 1.712 175.893 174.090 0.152 0.000 1.441 151 c CA 0.039 56.521 56.329 0.254 0.000 1.555 151 c CB -0.746 41.994 42.510 0.383 0.000 2.450 151 c HN 0.864 nan 8.230 nan 0.000 0.614 152 R N 2.741 123.304 120.500 0.105 0.000 2.397 152 R HA 0.217 4.561 4.340 0.005 0.000 0.241 152 R C -0.361 175.992 176.300 0.088 0.000 0.914 152 R CA 0.020 56.172 56.100 0.088 0.000 1.071 152 R CB 0.240 30.586 30.300 0.077 0.000 1.116 152 R HN 0.738 nan 8.270 nan 0.000 0.524 153 D N 0.157 120.619 120.400 0.103 0.000 2.478 153 D HA 0.186 4.829 4.640 0.005 0.000 0.240 153 D C -2.308 174.086 176.300 0.157 0.000 1.364 153 D CA -1.845 52.212 54.000 0.095 0.000 0.987 153 D CB 2.359 43.182 40.800 0.040 0.000 1.328 153 D HN -0.257 nan 8.370 nan 0.000 0.584 154 P HA -0.058 nan 4.420 nan 0.000 0.222 154 P C 1.038 178.419 177.300 0.135 0.000 1.142 154 P CA 0.789 63.990 63.100 0.169 0.000 0.788 154 P CB 0.273 32.103 31.700 0.216 0.000 0.767 155 R N -2.707 117.845 120.500 0.087 0.000 2.285 155 R HA -0.072 4.271 4.340 0.005 0.000 0.213 155 R C 0.599 176.974 176.300 0.126 0.000 1.068 155 R CA 0.082 56.212 56.100 0.050 0.000 1.004 155 R CB -0.345 29.953 30.300 -0.002 0.000 0.873 155 R HN 0.261 nan 8.270 nan 0.000 0.467 156 W N 1.295 122.577 121.300 -0.029 0.000 2.303 156 W HA 0.122 4.785 4.660 0.005 0.000 0.318 156 W C 1.107 177.610 176.519 -0.026 0.000 1.362 156 W CA -0.955 56.374 57.345 -0.026 0.000 1.234 156 W CB 0.492 29.948 29.460 -0.006 0.000 1.248 156 W HN 0.051 nan 8.180 nan 0.000 0.546 157 G N 5.023 113.729 108.800 -0.156 0.000 2.586 157 G HA2 -0.207 3.756 3.960 0.005 0.000 0.215 157 G HA3 -0.207 3.756 3.960 0.005 0.000 0.215 157 G C 1.157 175.788 174.900 -0.449 0.000 1.128 157 G CA 0.286 45.222 45.100 -0.273 0.000 0.774 157 G HN 0.572 nan 8.290 nan 0.000 0.543 158 R N -0.940 118.827 120.500 -1.221 0.000 2.509 158 R HA 0.194 4.537 4.340 0.005 0.000 0.300 158 R C 1.540 177.089 176.300 -1.252 0.000 0.985 158 R CA -0.270 54.929 56.100 -1.502 0.000 1.092 158 R CB -0.395 28.758 30.300 -1.912 0.000 1.237 158 R HN 0.275 nan 8.270 nan 0.000 0.546 159 c N 1.434 119.691 118.600 -0.571 0.000 2.413 159 c HA -0.175 4.399 4.570 0.005 0.000 0.277 159 c C 2.502 176.515 174.090 -0.127 0.000 1.265 159 c CA 1.011 57.295 56.329 -0.076 0.000 1.752 159 c CB -0.777 41.823 42.510 0.150 0.000 1.998 159 c HN 0.684 nan 8.230 nan 0.000 0.489 160 Y N 0.893 121.111 120.300 -0.137 0.000 2.483 160 Y HA 0.062 4.615 4.550 0.005 0.000 0.291 160 Y C 1.790 177.541 175.900 -0.248 0.000 1.143 160 Y CA 1.333 59.331 58.100 -0.170 0.000 1.289 160 Y CB -1.248 37.093 38.460 -0.199 0.000 0.983 160 Y HN 0.390 nan 8.280 nan 0.000 0.556 161 E N 0.437 120.287 120.200 -0.583 0.000 2.476 161 E HA 0.067 4.420 4.350 0.005 0.000 0.191 161 E C 0.034 176.421 176.600 -0.355 0.000 1.064 161 E CA 0.161 56.287 56.400 -0.456 0.000 0.866 161 E CB 0.232 29.603 29.700 -0.548 0.000 0.952 161 E HN 0.257 nan 8.360 nan 0.000 0.492 162 S N -0.484 115.067 115.700 -0.248 0.000 2.449 162 S HA 0.183 4.657 4.470 0.005 0.000 0.310 162 S C 0.427 174.927 174.600 -0.166 0.000 1.096 162 S CA -0.649 57.458 58.200 -0.156 0.000 1.095 162 S CB 0.476 63.714 63.200 0.064 0.000 1.007 162 S HN 0.067 nan 8.310 nan 0.000 0.474 163 Y N 3.206 123.488 120.300 -0.031 0.000 2.224 163 Y HA 0.112 4.665 4.550 0.005 0.000 0.289 163 Y C 1.675 177.534 175.900 -0.067 0.000 1.146 163 Y CA 1.125 59.189 58.100 -0.060 0.000 1.182 163 Y CB -0.039 38.391 38.460 -0.051 0.000 0.983 163 Y HN 0.632 nan 8.280 nan 0.000 0.524 164 S N -1.743 114.030 115.700 0.122 0.000 2.636 164 S HA 0.193 4.666 4.470 0.005 0.000 0.266 164 S C -0.061 174.581 174.600 0.070 0.000 1.147 164 S CA -0.294 57.948 58.200 0.069 0.000 0.815 164 S CB 0.656 63.896 63.200 0.067 0.000 1.119 164 S HN 0.348 nan 8.310 nan 0.000 0.470 165 E N 0.454 120.691 120.200 0.063 0.000 2.479 165 E HA 0.169 4.523 4.350 0.005 0.000 0.193 165 E C -0.334 176.277 176.600 0.019 0.000 1.049 165 E CA -0.138 56.296 56.400 0.056 0.000 0.870 165 E CB 0.098 29.845 29.700 0.078 0.000 0.944 165 E HN 0.356 nan 8.360 nan 0.000 0.492 166 D N 1.334 121.747 120.400 0.022 0.000 2.454 166 D HA 0.062 4.706 4.640 0.005 0.000 0.225 166 D C 0.834 177.131 176.300 -0.005 0.000 1.081 166 D CA -0.607 53.393 54.000 0.000 0.000 0.864 166 D CB 1.003 41.811 40.800 0.013 0.000 1.040 166 D HN 0.038 nan 8.370 nan 0.000 0.517 167 R N 3.624 124.106 120.500 -0.031 0.000 2.133 167 R HA -0.189 4.154 4.340 0.005 0.000 0.247 167 R C 1.774 178.063 176.300 -0.018 0.000 1.151 167 R CA 1.341 57.424 56.100 -0.029 0.000 0.971 167 R CB -0.712 29.556 30.300 -0.053 0.000 0.866 167 R HN 0.321 nan 8.270 nan 0.000 0.447 168 R N 0.365 120.854 120.500 -0.019 0.000 2.103 168 R HA -0.031 4.312 4.340 0.005 0.000 0.242 168 R C 2.334 178.619 176.300 -0.025 0.000 1.142 168 R CA 1.977 58.066 56.100 -0.019 0.000 0.960 168 R CB -0.498 29.794 30.300 -0.013 0.000 0.858 168 R HN 0.309 nan 8.270 nan 0.000 0.439 169 I N -0.091 120.469 120.570 -0.016 0.000 2.353 169 I HA -0.211 3.962 4.170 0.005 0.000 0.248 169 I C 2.113 178.194 176.117 -0.060 0.000 1.119 169 I CA 0.904 62.187 61.300 -0.028 0.000 1.417 169 I CB -0.150 37.852 38.000 0.003 0.000 1.078 169 I HN -0.008 nan 8.210 nan 0.000 0.421 170 V N 0.707 120.617 119.914 -0.006 0.000 2.407 170 V HA -0.278 3.846 4.120 0.005 0.000 0.248 170 V C 2.421 178.473 176.094 -0.071 0.000 1.055 170 V CA 1.706 64.020 62.300 0.024 0.000 1.049 170 V CB -0.753 31.128 31.823 0.097 0.000 0.662 170 V HN 0.481 nan 8.190 nan 0.000 0.455 171 Q N 0.590 120.355 119.800 -0.060 0.000 2.061 171 Q HA -0.206 4.137 4.340 0.005 0.000 0.204 171 Q C 2.513 178.452 176.000 -0.103 0.000 0.984 171 Q CA 2.130 57.892 55.803 -0.069 0.000 0.846 171 Q CB -0.430 28.284 28.738 -0.041 0.000 0.902 171 Q HN 0.797 nan 8.270 nan 0.000 0.421 172 S N 0.327 115.960 115.700 -0.112 0.000 2.399 172 S HA -0.098 4.375 4.470 0.005 0.000 0.231 172 S C 1.823 176.302 174.600 -0.201 0.000 1.022 172 S CA 0.901 59.027 58.200 -0.125 0.000 0.983 172 S CB -0.080 63.060 63.200 -0.100 0.000 0.803 172 S HN 0.203 nan 8.310 nan 0.000 0.480 173 M N 2.753 122.146 119.600 -0.346 0.000 2.659 173 M HA 0.078 4.561 4.480 0.005 0.000 0.243 173 M C 1.879 177.931 176.300 -0.412 0.000 1.111 173 M CA 1.113 56.063 55.300 -0.584 0.000 1.070 173 M CB -1.761 29.956 32.600 -1.473 0.000 1.525 173 M HN 0.689 nan 8.290 nan 0.000 0.517 174 T N -2.530 111.886 114.554 -0.231 0.000 3.155 174 T HA -0.041 4.312 4.350 0.005 0.000 0.264 174 T C 1.304 175.940 174.700 -0.108 0.000 1.160 174 T CA 0.619 62.641 62.100 -0.129 0.000 1.075 174 T CB -0.208 68.603 68.868 -0.096 0.000 0.921 174 T HN 0.228 nan 8.240 nan 0.000 0.533 175 E N 0.507 120.629 120.200 -0.131 0.000 2.472 175 E HA 0.029 4.382 4.350 0.005 0.000 0.200 175 E C 1.757 178.301 176.600 -0.093 0.000 1.046 175 E CA 0.199 56.542 56.400 -0.094 0.000 0.871 175 E CB -0.215 29.436 29.700 -0.081 0.000 0.806 175 E HN 0.514 nan 8.360 nan 0.000 0.533 176 L N 0.445 121.607 121.223 -0.102 0.000 2.141 176 L HA -0.106 4.237 4.340 0.005 0.000 0.209 176 L C 2.038 178.868 176.870 -0.066 0.000 1.094 176 L CA 1.072 55.859 54.840 -0.087 0.000 0.763 176 L CB -0.162 41.873 42.059 -0.039 0.000 0.908 176 L HN 0.032 nan 8.230 nan 0.000 0.437 177 I N 0.061 120.603 120.570 -0.048 0.000 2.127 177 I HA -0.233 3.940 4.170 0.005 0.000 0.241 177 I C -0.386 175.718 176.117 -0.021 0.000 1.075 177 I CA 1.440 62.724 61.300 -0.027 0.000 1.334 177 I CB -1.574 36.414 38.000 -0.020 0.000 1.040 177 I HN 0.244 nan 8.210 nan 0.000 0.405 178 P HA -0.089 nan 4.420 nan 0.000 0.222 178 P C 1.484 178.773 177.300 -0.020 0.000 1.147 178 P CA 1.371 64.456 63.100 -0.025 0.000 0.790 178 P CB -0.148 31.523 31.700 -0.049 0.000 0.780 179 G N -0.374 108.397 108.800 -0.049 0.000 2.394 179 G HA2 -0.170 3.793 3.960 0.005 0.000 0.214 179 G HA3 -0.170 3.793 3.960 0.005 0.000 0.214 179 G C 1.415 176.275 174.900 -0.068 0.000 1.176 179 G CA 0.411 45.465 45.100 -0.075 0.000 0.786 179 G HN 0.213 nan 8.290 nan 0.000 0.533 180 L N -0.264 120.923 121.223 -0.060 0.000 2.044 180 L HA -0.025 4.318 4.340 0.005 0.000 0.205 180 L C 3.080 179.936 176.870 -0.022 0.000 1.075 180 L CA 1.161 55.971 54.840 -0.050 0.000 0.747 180 L CB -0.276 41.758 42.059 -0.042 0.000 0.903 180 L HN 0.252 nan 8.230 nan 0.000 0.435 181 Q N -0.540 119.265 119.800 0.008 0.000 2.376 181 Q HA 0.255 4.599 4.340 0.005 0.000 0.206 181 Q C 0.662 176.712 176.000 0.082 0.000 0.921 181 Q CA 0.495 56.313 55.803 0.026 0.000 0.911 181 Q CB 0.769 29.552 28.738 0.074 0.000 1.032 181 Q HN 0.469 nan 8.270 nan 0.000 0.510 182 G N 1.497 110.362 108.800 0.109 0.000 2.629 182 G HA2 -0.129 3.834 3.960 0.005 0.000 0.686 182 G HA3 -0.129 3.834 3.960 0.005 0.000 0.686 182 G C -1.511 173.498 174.900 0.181 0.000 1.232 182 G CA -0.888 44.307 45.100 0.158 0.000 0.803 182 G HN 0.048 nan 8.290 nan 0.000 0.638 183 D N 0.079 120.510 120.400 0.051 0.000 2.424 183 D HA 0.357 5.001 4.640 0.005 0.000 0.244 183 D C 1.358 177.394 176.300 -0.440 0.000 1.134 183 D CA 0.614 54.535 54.000 -0.132 0.000 0.881 183 D CB 1.674 42.416 40.800 -0.097 0.000 1.191 183 D HN 1.047 nan 8.370 nan 0.000 0.445 184 V N 0.486 119.937 119.914 -0.772 0.000 2.775 184 V HA 0.364 4.487 4.120 0.005 0.000 0.299 184 V C -1.968 173.727 176.094 -0.664 0.000 1.062 184 V CA -1.400 60.087 62.300 -1.356 0.000 1.063 184 V CB 0.510 31.329 31.823 -1.673 0.000 0.994 184 V HN 0.415 nan 8.190 nan 0.000 0.483 185 P HA 0.104 nan 4.420 nan 0.000 0.270 185 P C 0.183 177.444 177.300 -0.064 0.000 1.227 185 P CA -0.184 62.826 63.100 -0.150 0.000 0.788 185 P CB 0.875 32.562 31.700 -0.021 0.000 0.926 186 K N 0.360 120.745 120.400 -0.026 0.000 2.211 186 K HA -0.158 4.165 4.320 0.005 0.000 0.203 186 K C 1.532 178.151 176.600 0.031 0.000 1.050 186 K CA 1.886 58.170 56.287 -0.004 0.000 0.945 186 K CB -0.254 32.240 32.500 -0.010 0.000 0.732 186 K HN 0.574 nan 8.250 nan 0.000 0.451 187 D N -0.628 119.798 120.400 0.043 0.000 2.149 187 D HA -0.181 4.462 4.640 0.005 0.000 0.201 187 D C 0.416 176.751 176.300 0.058 0.000 0.972 187 D CA -0.023 54.000 54.000 0.038 0.000 0.835 187 D CB -0.406 40.410 40.800 0.026 0.000 0.966 187 D HN 0.006 nan 8.370 nan 0.000 0.476 188 F N 1.843 121.750 119.950 -0.072 0.000 2.295 188 F HA -0.140 4.390 4.527 0.005 0.000 0.410 188 F C 0.069 175.840 175.800 -0.049 0.000 0.891 188 F CA 0.520 58.474 58.000 -0.077 0.000 1.125 188 F CB 0.183 39.099 39.000 -0.142 0.000 0.860 188 F HN -0.122 nan 8.300 nan 0.000 0.551 189 T N 6.354 120.438 114.554 -0.784 0.000 2.771 189 T HA 0.209 4.562 4.350 0.005 0.000 0.291 189 T C -0.015 174.350 174.700 -0.558 0.000 0.954 189 T CA -0.396 61.400 62.100 -0.507 0.000 1.045 189 T CB 1.140 69.775 68.868 -0.388 0.000 0.917 189 T HN 0.752 nan 8.240 nan 0.000 0.484 190 S N 2.353 117.952 115.700 -0.169 0.000 2.552 190 S HA 0.396 4.869 4.470 0.005 0.000 0.289 190 S C 1.554 176.134 174.600 -0.033 0.000 1.304 190 S CA 0.904 59.102 58.200 -0.004 0.000 1.063 190 S CB -0.331 62.891 63.200 0.036 0.000 0.848 190 S HN 1.180 nan 8.310 nan 0.000 0.499 191 G N 4.146 113.002 108.800 0.093 0.000 2.284 191 G HA2 -0.189 3.774 3.960 0.005 0.000 0.216 191 G HA3 -0.189 3.774 3.960 0.005 0.000 0.216 191 G C 0.207 175.155 174.900 0.080 0.000 1.009 191 G CA 0.091 45.265 45.100 0.124 0.000 0.625 191 G HN 0.635 nan 8.290 nan 0.000 0.501 192 M N 2.684 122.253 119.600 -0.051 0.000 2.242 192 M HA 0.353 4.836 4.480 0.005 0.000 0.344 192 M C -1.919 174.564 176.300 0.304 0.000 1.140 192 M CA -2.157 53.124 55.300 -0.032 0.000 1.160 192 M CB 0.364 32.787 32.600 -0.295 0.000 1.491 192 M HN 0.157 nan 8.290 nan 0.000 0.459 193 P HA 0.445 nan 4.420 nan 0.000 0.279 193 P C -1.383 176.166 177.300 0.416 0.000 1.252 193 P CA -0.214 63.042 63.100 0.260 0.000 0.811 193 P CB 1.212 32.958 31.700 0.076 0.000 1.035 194 F N 0.823 120.850 119.950 0.128 0.000 2.650 194 F HA 0.493 5.023 4.527 0.004 0.000 0.310 194 F C -2.040 173.758 175.800 -0.004 0.000 1.112 194 F CA -0.522 57.512 58.000 0.058 0.000 0.986 194 F CB 1.583 40.523 39.000 -0.100 0.000 1.285 194 F HN 0.073 nan 8.300 nan 0.000 0.440 195 V N 5.574 124.808 119.914 -1.133 0.000 2.737 195 V HA 0.439 4.562 4.120 0.005 0.000 0.298 195 V C 0.449 175.944 176.094 -0.999 0.000 1.163 195 V CA -0.195 61.643 62.300 -0.770 0.000 0.925 195 V CB 1.111 32.746 31.823 -0.314 0.000 1.037 195 V HN 1.100 nan 8.190 nan 0.000 0.433 196 A N 3.340 125.743 122.820 -0.696 0.000 1.917 196 A HA 0.398 4.722 4.320 0.005 0.000 0.219 196 A C 1.262 178.742 177.584 -0.174 0.000 1.182 196 A CA 2.193 54.048 52.037 -0.303 0.000 0.633 196 A CB -0.276 18.721 19.000 -0.003 0.000 0.819 196 A HN 1.906 nan 8.150 nan 0.000 0.448 197 G N -2.114 106.602 108.800 -0.140 0.000 2.336 197 G HA2 0.300 4.263 3.960 0.005 0.000 0.286 197 G HA3 0.300 4.263 3.960 0.005 0.000 0.286 197 G C 0.275 175.150 174.900 -0.042 0.000 1.269 197 G CA 0.099 45.157 45.100 -0.069 0.000 0.873 197 G HN 0.422 nan 8.290 nan 0.000 0.494 198 K N -0.553 119.840 120.400 -0.011 0.000 2.442 198 K HA 0.027 4.350 4.320 0.005 0.000 0.198 198 K C 1.023 177.624 176.600 0.001 0.000 1.044 198 K CA 1.819 58.107 56.287 0.001 0.000 0.948 198 K CB -0.120 32.391 32.500 0.019 0.000 0.762 198 K HN 0.298 nan 8.250 nan 0.000 0.472 199 N N -0.030 118.669 118.700 -0.002 0.000 2.235 199 N HA 0.072 4.815 4.740 0.005 0.000 0.209 199 N C -0.728 174.776 175.510 -0.011 0.000 1.122 199 N CA -0.192 52.859 53.050 0.001 0.000 0.845 199 N CB 0.458 38.951 38.487 0.010 0.000 1.004 199 N HN 0.015 nan 8.380 nan 0.000 0.499 200 K N 0.548 120.934 120.400 -0.024 0.000 2.378 200 K HA 0.544 4.868 4.320 0.005 0.000 0.244 200 K C -0.639 175.941 176.600 -0.033 0.000 1.039 200 K CA -0.799 55.468 56.287 -0.034 0.000 0.863 200 K CB 2.020 34.491 32.500 -0.048 0.000 1.326 200 K HN -0.157 nan 8.250 nan 0.000 0.460 201 V N -2.537 117.361 119.914 -0.028 0.000 3.040 201 V HA 0.846 4.970 4.120 0.005 0.000 0.312 201 V C -0.374 175.724 176.094 0.006 0.000 1.115 201 V CA -1.299 60.999 62.300 -0.003 0.000 0.998 201 V CB 1.636 33.464 31.823 0.007 0.000 1.042 201 V HN 0.778 nan 8.190 nan 0.000 0.433 202 A N 1.719 124.562 122.820 0.038 0.000 2.401 202 A HA 0.869 5.192 4.320 0.005 0.000 0.259 202 A C 0.482 178.166 177.584 0.168 0.000 1.103 202 A CA 0.252 52.301 52.037 0.020 0.000 0.789 202 A CB 0.270 19.174 19.000 -0.160 0.000 1.035 202 A HN 2.169 nan 8.150 nan 0.000 0.491 203 A N 0.668 123.557 122.820 0.115 0.000 2.261 203 A HA 0.669 4.993 4.320 0.005 0.000 0.323 203 A C -0.240 177.471 177.584 0.210 0.000 1.107 203 A CA -0.221 51.897 52.037 0.134 0.000 0.883 203 A CB 0.802 19.836 19.000 0.057 0.000 1.251 203 A HN 1.817 nan 8.150 nan 0.000 0.502 204 C N 0.575 119.969 119.300 0.156 0.000 2.620 204 C HA 0.681 5.144 4.460 0.005 0.000 0.356 204 C C 0.169 175.186 174.990 0.045 0.000 1.082 204 C CA -0.065 59.052 59.018 0.164 0.000 1.293 204 C CB -0.401 27.517 27.740 0.296 0.000 1.836 204 C HN 1.271 nan 8.230 nan 0.000 0.453 205 A N 6.468 129.296 122.820 0.013 0.000 2.347 205 A HA 0.671 4.994 4.320 0.005 0.000 0.287 205 A C -0.123 177.491 177.584 0.049 0.000 1.199 205 A CA -0.056 51.962 52.037 -0.031 0.000 0.851 205 A CB 0.143 19.108 19.000 -0.058 0.000 1.118 205 A HN 0.942 nan 8.150 nan 0.000 0.525 206 K N 2.273 122.627 120.400 -0.076 0.000 2.512 206 K HA 0.667 4.990 4.320 0.005 0.000 0.263 206 K C -1.632 174.843 176.600 -0.207 0.000 0.966 206 K CA -0.939 55.251 56.287 -0.161 0.000 0.851 206 K CB 1.312 33.490 32.500 -0.536 0.000 1.395 206 K HN 0.651 nan 8.250 nan 0.000 0.440 207 H N 0.839 120.059 119.070 0.249 0.000 2.551 207 H HA 0.273 4.833 4.556 0.006 0.000 0.321 207 H C -1.440 174.026 175.328 0.230 0.000 1.028 207 H CA -0.624 55.550 56.048 0.212 0.000 1.215 207 H CB 0.810 30.652 29.762 0.134 0.000 1.414 207 H HN 0.477 nan 8.280 nan 0.000 0.480 208 F N 4.589 124.591 119.950 0.086 0.000 2.538 208 F HA 0.283 4.814 4.527 0.006 0.000 0.382 208 F C -0.275 175.426 175.800 -0.165 0.000 1.069 208 F CA 0.252 58.109 58.000 -0.239 0.000 1.138 208 F CB -0.118 38.626 39.000 -0.428 0.000 1.068 208 F HN 0.341 nan 8.300 nan 0.000 0.556 209 V N 5.379 124.922 119.914 -0.617 0.000 3.087 209 V HA 0.669 4.792 4.120 0.005 0.000 0.306 209 V C 0.113 175.943 176.094 -0.440 0.000 1.187 209 V CA -0.027 61.868 62.300 -0.676 0.000 0.999 209 V CB 1.741 32.725 31.823 -1.399 0.000 1.049 209 V HN 1.076 nan 8.190 nan 0.000 0.431 210 G N 3.802 112.417 108.800 -0.309 0.000 2.147 210 G HA2 -0.219 3.744 3.960 0.005 0.000 0.244 210 G HA3 -0.219 3.744 3.960 0.005 0.000 0.244 210 G C 0.353 174.989 174.900 -0.441 0.000 1.005 210 G CA 0.799 45.542 45.100 -0.595 0.000 0.713 210 G HN 1.257 nan 8.290 nan 0.000 0.515 211 D N 0.219 120.505 120.400 -0.191 0.000 2.218 211 D HA -0.017 4.627 4.640 0.005 0.000 0.204 211 D C 1.992 177.920 176.300 -0.621 0.000 0.976 211 D CA 1.336 55.219 54.000 -0.195 0.000 0.853 211 D CB -0.957 39.937 40.800 0.156 0.000 0.939 211 D HN 0.777 nan 8.370 nan 0.000 0.481 212 G N -0.293 108.260 108.800 -0.412 0.000 3.181 212 G HA2 0.305 4.268 3.960 0.005 0.000 0.219 212 G HA3 0.305 4.268 3.960 0.005 0.000 0.219 212 G C 0.994 175.707 174.900 -0.312 0.000 1.182 212 G CA 0.104 44.897 45.100 -0.511 0.000 0.791 212 G HN 0.457 nan 8.290 nan 0.000 0.537 213 G N 0.489 109.049 108.800 -0.400 0.000 4.100 213 G HA2 0.340 4.303 3.960 0.005 0.000 0.294 213 G HA3 0.340 4.303 3.960 0.005 0.000 0.294 213 G C 0.586 175.335 174.900 -0.252 0.000 1.040 213 G CA 0.260 45.224 45.100 -0.226 0.000 0.829 213 G HN 0.402 nan 8.290 nan 0.000 0.505 214 T N -0.924 113.418 114.554 -0.354 0.000 2.898 214 T HA 0.421 4.774 4.350 0.005 0.000 0.301 214 T C 0.734 175.339 174.700 -0.159 0.000 1.049 214 T CA -0.215 61.740 62.100 -0.243 0.000 1.095 214 T CB 1.755 70.460 68.868 -0.271 0.000 0.976 214 T HN 0.788 nan 8.240 nan 0.000 0.539 215 V N 0.113 119.968 119.914 -0.099 0.000 2.599 215 V HA 0.206 4.329 4.120 0.005 0.000 0.300 215 V C 0.175 176.236 176.094 -0.056 0.000 1.034 215 V CA -0.233 62.028 62.300 -0.064 0.000 1.115 215 V CB -0.941 30.852 31.823 -0.049 0.000 0.934 215 V HN 1.015 nan 8.190 nan 0.000 0.485 216 D N 2.961 123.335 120.400 -0.042 0.000 2.983 216 D HA -0.150 4.493 4.640 0.005 0.000 0.225 216 D C 1.261 177.552 176.300 -0.015 0.000 1.174 216 D CA 2.068 56.050 54.000 -0.030 0.000 0.831 216 D CB -1.532 39.251 40.800 -0.029 0.000 1.104 216 D HN 2.003 nan 8.370 nan 0.000 0.421 217 G N -0.633 108.146 108.800 -0.034 0.000 2.187 217 G HA2 -0.361 3.602 3.960 0.005 0.000 0.261 217 G HA3 -0.361 3.602 3.960 0.005 0.000 0.261 217 G C 0.399 175.334 174.900 0.058 0.000 1.000 217 G CA 0.258 45.356 45.100 -0.003 0.000 0.718 217 G HN 0.621 nan 8.290 nan 0.000 0.519 218 I N 1.089 121.662 120.570 0.004 0.000 2.581 218 I HA 0.020 4.193 4.170 0.005 0.000 0.285 218 I C 1.218 177.375 176.117 0.067 0.000 1.129 218 I CA -0.122 61.205 61.300 0.046 0.000 1.397 218 I CB 0.277 38.280 38.000 0.006 0.000 1.399 218 I HN 0.287 nan 8.210 nan 0.000 0.537 219 N N 5.832 124.666 118.700 0.223 0.000 2.395 219 N HA -0.074 4.669 4.740 0.005 0.000 0.246 219 N C 0.337 175.945 175.510 0.163 0.000 1.246 219 N CA 0.077 53.327 53.050 0.334 0.000 0.879 219 N CB 0.415 39.131 38.487 0.381 0.000 1.098 219 N HN 0.664 nan 8.380 nan 0.000 0.444 220 E N -1.034 119.280 120.200 0.190 0.000 3.253 220 E HA -0.368 3.985 4.350 0.005 0.000 0.284 220 E C -0.257 176.384 176.600 0.067 0.000 0.958 220 E CA 0.512 56.998 56.400 0.143 0.000 0.917 220 E CB -1.366 28.369 29.700 0.059 0.000 1.466 220 E HN 0.658 nan 8.360 nan 0.000 0.455 221 N N 0.167 118.879 118.700 0.020 0.000 2.460 221 N HA 0.141 4.884 4.740 0.005 0.000 0.296 221 N C 0.016 175.515 175.510 -0.018 0.000 1.319 221 N CA -0.510 52.536 53.050 -0.006 0.000 0.945 221 N CB 0.442 38.913 38.487 -0.027 0.000 1.096 221 N HN -0.029 nan 8.380 nan 0.000 0.538 222 N N -0.625 118.056 118.700 -0.031 0.000 2.421 222 N HA 0.181 4.924 4.740 0.005 0.000 0.285 222 N C -1.720 173.758 175.510 -0.053 0.000 1.027 222 N CA -0.023 53.008 53.050 -0.031 0.000 0.918 222 N CB 1.262 39.729 38.487 -0.032 0.000 1.152 222 N HN 0.223 nan 8.380 nan 0.000 0.485 223 T N 4.504 119.037 114.554 -0.035 0.000 2.832 223 T HA 0.376 4.729 4.350 0.005 0.000 0.313 223 T C 0.299 175.006 174.700 0.011 0.000 1.035 223 T CA -0.342 61.734 62.100 -0.039 0.000 0.950 223 T CB -0.408 68.415 68.868 -0.074 0.000 0.984 223 T HN 0.382 nan 8.240 nan 0.000 0.486 224 I N 5.373 125.926 120.570 -0.028 0.000 2.291 224 I HA 0.539 4.712 4.170 0.005 0.000 0.292 224 I C -0.007 176.108 176.117 -0.002 0.000 1.064 224 I CA -0.212 61.057 61.300 -0.051 0.000 1.269 224 I CB 0.313 38.275 38.000 -0.063 0.000 1.418 224 I HN 0.532 nan 8.210 nan 0.000 0.485 225 I N 5.744 126.327 120.570 0.022 0.000 2.763 225 I HA 0.216 4.389 4.170 0.005 0.000 0.292 225 I C -1.312 174.894 176.117 0.147 0.000 1.610 225 I CA -0.730 60.630 61.300 0.100 0.000 1.002 225 I CB 1.973 40.080 38.000 0.179 0.000 1.416 225 I HN 0.606 nan 8.210 nan 0.000 0.479 226 N N 5.375 124.143 118.700 0.114 0.000 2.399 226 N HA 0.138 4.882 4.740 0.005 0.000 0.250 226 N C 0.606 176.288 175.510 0.286 0.000 1.272 226 N CA -0.336 52.791 53.050 0.127 0.000 0.928 226 N CB 0.432 38.956 38.487 0.063 0.000 1.158 226 N HN 0.680 nan 8.380 nan 0.000 0.463 227 R N -0.538 120.164 120.500 0.338 0.000 2.293 227 R HA -0.186 4.157 4.340 0.005 0.000 0.219 227 R C 1.142 177.505 176.300 0.105 0.000 1.091 227 R CA 1.158 57.455 56.100 0.327 0.000 1.004 227 R CB -0.048 30.424 30.300 0.287 0.000 0.865 227 R HN 0.805 nan 8.270 nan 0.000 0.469 228 E N -0.496 119.760 120.200 0.094 0.000 2.047 228 E HA -0.080 4.274 4.350 0.005 0.000 0.191 228 E C 1.729 178.350 176.600 0.036 0.000 0.987 228 E CA 1.807 58.235 56.400 0.047 0.000 0.799 228 E CB -0.468 29.256 29.700 0.041 0.000 0.752 228 E HN 0.384 nan 8.360 nan 0.000 0.449 229 G N 1.160 109.998 108.800 0.064 0.000 2.430 229 G HA2 -0.145 3.818 3.960 0.005 0.000 0.216 229 G HA3 -0.145 3.818 3.960 0.005 0.000 0.216 229 G C 1.455 176.399 174.900 0.073 0.000 1.146 229 G CA 0.533 45.667 45.100 0.057 0.000 0.793 229 G HN 0.313 nan 8.290 nan 0.000 0.537 230 L N 0.447 121.725 121.223 0.091 0.000 2.012 230 L HA -0.009 4.334 4.340 0.005 0.000 0.210 230 L C 2.488 179.303 176.870 -0.091 0.000 1.073 230 L CA 1.829 56.663 54.840 -0.011 0.000 0.748 230 L CB -0.530 41.352 42.059 -0.295 0.000 0.891 230 L HN 0.165 nan 8.230 nan 0.000 0.431 231 M N -0.671 118.859 119.600 -0.117 0.000 2.419 231 M HA -0.100 4.383 4.480 0.005 0.000 0.264 231 M C 1.843 178.119 176.300 -0.039 0.000 1.082 231 M CA 1.066 56.299 55.300 -0.113 0.000 1.119 231 M CB -1.520 31.008 32.600 -0.121 0.000 1.398 231 M HN 0.378 nan 8.290 nan 0.000 0.453 232 N N 0.686 119.367 118.700 -0.030 0.000 2.336 232 N HA 0.072 4.816 4.740 0.005 0.000 0.177 232 N C 1.414 176.886 175.510 -0.063 0.000 1.018 232 N CA 0.894 53.926 53.050 -0.029 0.000 0.878 232 N CB 0.370 38.844 38.487 -0.022 0.000 0.997 232 N HN 0.290 nan 8.380 nan 0.000 0.433 233 I N -1.378 119.121 120.570 -0.118 0.000 2.962 233 I HA 0.022 4.195 4.170 0.005 0.000 0.246 233 I C 1.086 177.024 176.117 -0.298 0.000 1.091 233 I CA 0.395 61.535 61.300 -0.267 0.000 1.469 233 I CB -0.206 37.499 38.000 -0.491 0.000 1.324 233 I HN 0.116 nan 8.210 nan 0.000 0.461 234 H N -0.432 118.618 119.070 -0.034 0.000 2.548 234 H HA 0.077 4.636 4.556 0.005 0.000 0.268 234 H C 1.656 177.019 175.328 0.058 0.000 0.975 234 H CA 0.613 56.653 56.048 -0.013 0.000 1.195 234 H CB 0.214 29.927 29.762 -0.081 0.000 1.397 234 H HN 0.195 nan 8.280 nan 0.000 0.572 235 M N 0.496 120.165 119.600 0.114 0.000 2.447 235 M HA 0.170 4.653 4.480 0.005 0.000 0.266 235 M C -1.198 175.248 176.300 0.242 0.000 1.120 235 M CA -0.014 55.396 55.300 0.184 0.000 1.166 235 M CB -0.206 32.412 32.600 0.030 0.000 1.349 235 M HN -0.054 nan 8.290 nan 0.000 0.463 236 P HA -0.274 nan 4.420 nan 0.000 0.216 236 P C 1.201 178.552 177.300 0.085 0.000 1.151 236 P CA 2.830 65.985 63.100 0.092 0.000 0.953 236 P CB -0.382 31.339 31.700 0.035 0.000 0.789 237 A N -2.138 120.698 122.820 0.027 0.000 2.009 237 A HA -0.285 4.038 4.320 0.005 0.000 0.222 237 A C 2.124 179.645 177.584 -0.105 0.000 1.175 237 A CA 1.999 53.995 52.037 -0.068 0.000 0.651 237 A CB -2.002 16.911 19.000 -0.144 0.000 0.815 237 A HN 0.221 nan 8.150 nan 0.000 0.459 238 Y N -0.354 119.983 120.300 0.062 0.000 2.242 238 Y HA -0.159 4.394 4.550 0.005 0.000 0.291 238 Y C 2.411 178.328 175.900 0.029 0.000 1.137 238 Y CA 1.846 59.977 58.100 0.052 0.000 1.181 238 Y CB -0.205 38.336 38.460 0.135 0.000 0.989 238 Y HN 0.347 nan 8.280 nan 0.000 0.527 239 K N 0.912 121.427 120.400 0.192 0.000 2.147 239 K HA -0.153 4.170 4.320 0.005 0.000 0.205 239 K C 1.234 177.877 176.600 0.073 0.000 1.049 239 K CA 1.889 58.248 56.287 0.120 0.000 0.936 239 K CB -0.401 32.166 32.500 0.111 0.000 0.722 239 K HN 0.286 nan 8.250 nan 0.000 0.446 240 N N 0.231 118.958 118.700 0.044 0.000 2.216 240 N HA -0.043 4.700 4.740 0.005 0.000 0.183 240 N C 1.580 177.100 175.510 0.015 0.000 1.017 240 N CA 1.339 54.398 53.050 0.016 0.000 0.861 240 N CB -0.348 38.128 38.487 -0.017 0.000 0.986 240 N HN 0.311 nan 8.380 nan 0.000 0.428 241 A N 0.912 123.733 122.820 0.002 0.000 1.933 241 A HA -0.113 4.210 4.320 0.005 0.000 0.218 241 A C 2.020 179.647 177.584 0.072 0.000 1.175 241 A CA 1.178 53.218 52.037 0.005 0.000 0.628 241 A CB -0.375 18.601 19.000 -0.042 0.000 0.814 241 A HN 0.103 nan 8.150 nan 0.000 0.444 242 M N 0.223 119.878 119.600 0.092 0.000 2.117 242 M HA -0.132 4.351 4.480 0.005 0.000 0.262 242 M C 1.290 177.706 176.300 0.193 0.000 1.065 242 M CA 1.452 56.844 55.300 0.153 0.000 1.114 242 M CB -1.520 31.149 32.600 0.114 0.000 1.361 242 M HN 0.356 nan 8.290 nan 0.000 0.408 243 D N 0.450 120.931 120.400 0.135 0.000 2.219 243 D HA -0.089 4.554 4.640 0.005 0.000 0.205 243 D C 1.395 177.783 176.300 0.147 0.000 0.970 243 D CA 0.991 55.081 54.000 0.149 0.000 0.851 243 D CB -0.167 40.680 40.800 0.078 0.000 0.943 243 D HN 0.426 nan 8.370 nan 0.000 0.488 244 K N -0.171 120.273 120.400 0.073 0.000 2.410 244 K HA 0.258 4.581 4.320 0.005 0.000 0.200 244 K C 0.817 177.373 176.600 -0.074 0.000 1.023 244 K CA 0.196 56.458 56.287 -0.043 0.000 1.149 244 K CB 0.900 33.375 32.500 -0.042 0.000 0.859 244 K HN 0.037 nan 8.250 nan 0.000 0.514 245 G N 2.077 110.959 108.800 0.135 0.000 2.246 245 G HA2 -0.251 3.712 3.960 0.005 0.000 0.273 245 G HA3 -0.251 3.712 3.960 0.005 0.000 0.273 245 G C 0.112 175.150 174.900 0.230 0.000 1.055 245 G CA 0.173 45.429 45.100 0.261 0.000 0.851 245 G HN 0.270 nan 8.290 nan 0.000 0.500 246 V N 0.548 120.574 119.914 0.186 0.000 2.557 246 V HA 0.258 4.382 4.120 0.005 0.000 0.301 246 V C 1.723 177.957 176.094 0.234 0.000 1.026 246 V CA 1.446 63.834 62.300 0.147 0.000 1.137 246 V CB 0.829 32.693 31.823 0.069 0.000 0.917 246 V HN 0.531 nan 8.190 nan 0.000 0.484 247 S N 3.865 119.645 115.700 0.134 0.000 2.368 247 S HA -0.052 4.421 4.470 0.005 0.000 0.225 247 S C 0.800 175.400 174.600 -0.002 0.000 1.030 247 S CA 1.487 59.717 58.200 0.050 0.000 0.999 247 S CB -0.132 63.018 63.200 -0.084 0.000 0.844 247 S HN 1.070 nan 8.310 nan 0.000 0.459 248 T N -1.813 112.724 114.554 -0.030 0.000 2.864 248 T HA 0.741 5.095 4.350 0.005 0.000 0.289 248 T C -1.017 173.680 174.700 -0.005 0.000 1.082 248 T CA -0.797 61.245 62.100 -0.096 0.000 1.009 248 T CB 1.947 70.537 68.868 -0.463 0.000 1.234 248 T HN -0.130 nan 8.240 nan 0.000 0.526 249 V N 1.445 121.340 119.914 -0.032 0.000 2.668 249 V HA 0.521 4.645 4.120 0.005 0.000 0.304 249 V C -0.638 175.462 176.094 0.010 0.000 1.071 249 V CA -0.833 61.404 62.300 -0.104 0.000 0.894 249 V CB 1.883 33.439 31.823 -0.446 0.000 1.008 249 V HN 1.083 nan 8.190 nan 0.000 0.425 250 M N 5.456 125.085 119.600 0.049 0.000 2.300 250 M HA 0.598 5.081 4.480 0.005 0.000 0.348 250 M C -1.045 175.295 176.300 0.066 0.000 1.151 250 M CA -0.594 54.736 55.300 0.051 0.000 1.046 250 M CB 1.081 33.697 32.600 0.027 0.000 1.647 250 M HN 0.446 nan 8.290 nan 0.000 0.451 251 I N 2.649 123.201 120.570 -0.031 0.000 2.472 251 I HA 0.193 4.366 4.170 0.005 0.000 0.290 251 I C 0.529 176.618 176.117 -0.045 0.000 1.016 251 I CA -0.006 61.229 61.300 -0.109 0.000 1.348 251 I CB 1.138 38.855 38.000 -0.470 0.000 1.417 251 I HN 0.690 nan 8.210 nan 0.000 0.521 252 S N 3.912 119.649 115.700 0.061 0.000 2.592 252 S HA 0.177 4.650 4.470 0.005 0.000 0.271 252 S C 0.853 175.594 174.600 0.235 0.000 1.326 252 S CA -0.039 58.229 58.200 0.114 0.000 1.024 252 S CB 0.437 63.708 63.200 0.119 0.000 0.921 252 S HN 0.363 nan 8.310 nan 0.000 0.527 253 Y N 2.461 122.892 120.300 0.218 0.000 2.373 253 Y HA 0.031 4.584 4.550 0.006 0.000 0.293 253 Y C 1.958 177.930 175.900 0.121 0.000 1.129 253 Y CA 0.799 58.994 58.100 0.159 0.000 1.226 253 Y CB -0.861 37.644 38.460 0.075 0.000 1.000 253 Y HN 0.694 nan 8.280 nan 0.000 0.549 254 S N -0.446 115.398 115.700 0.241 0.000 2.587 254 S HA 0.279 4.753 4.470 0.005 0.000 0.260 254 S C 0.328 174.994 174.600 0.109 0.000 1.353 254 S CA -0.671 57.601 58.200 0.120 0.000 0.995 254 S CB 1.110 64.321 63.200 0.018 0.000 0.912 254 S HN 0.094 nan 8.310 nan 0.000 0.568 255 S N -0.238 115.506 115.700 0.074 0.000 2.689 255 S HA 0.614 5.087 4.470 0.005 0.000 0.306 255 S C -1.519 173.157 174.600 0.127 0.000 1.104 255 S CA -0.638 57.619 58.200 0.095 0.000 0.973 255 S CB 0.958 64.198 63.200 0.066 0.000 1.121 255 S HN 0.838 nan 8.310 nan 0.000 0.523 256 W N 2.562 123.813 121.300 -0.082 0.000 2.463 256 W HA 0.469 5.132 4.660 0.006 0.000 0.316 256 W C -0.573 175.899 176.519 -0.078 0.000 1.004 256 W CA -0.766 56.513 57.345 -0.111 0.000 1.309 256 W CB -0.292 29.081 29.460 -0.145 0.000 1.288 256 W HN 0.743 nan 8.180 nan 0.000 0.423 257 N N 4.240 122.715 118.700 -0.375 0.000 2.738 257 N HA -0.181 4.562 4.740 0.005 0.000 0.249 257 N C 0.958 176.319 175.510 -0.248 0.000 1.047 257 N CA 2.180 54.969 53.050 -0.436 0.000 0.707 257 N CB -1.275 36.735 38.487 -0.796 0.000 0.937 257 N HN 1.355 nan 8.380 nan 0.000 0.545 258 G N -2.789 105.936 108.800 -0.126 0.000 2.205 258 G HA2 -0.335 3.628 3.960 0.005 0.000 0.261 258 G HA3 -0.335 3.628 3.960 0.005 0.000 0.261 258 G C 0.035 174.922 174.900 -0.021 0.000 0.980 258 G CA 0.376 45.436 45.100 -0.067 0.000 0.632 258 G HN 0.521 nan 8.290 nan 0.000 0.533 259 V N 2.420 122.330 119.914 -0.006 0.000 2.407 259 V HA 0.435 4.558 4.120 0.005 0.000 0.278 259 V C 0.583 176.741 176.094 0.106 0.000 1.037 259 V CA -1.290 61.043 62.300 0.056 0.000 0.900 259 V CB 1.677 33.542 31.823 0.071 0.000 0.983 259 V HN 0.201 nan 8.190 nan 0.000 0.459 260 K N 4.611 125.081 120.400 0.116 0.000 2.451 260 K HA 0.157 4.480 4.320 0.005 0.000 0.280 260 K C 1.052 177.752 176.600 0.166 0.000 1.020 260 K CA -0.155 56.221 56.287 0.149 0.000 1.008 260 K CB 0.653 33.249 32.500 0.160 0.000 0.917 260 K HN 0.495 nan 8.250 nan 0.000 0.478 261 M N 1.832 121.536 119.600 0.173 0.000 2.108 261 M HA -0.152 4.331 4.480 0.005 0.000 0.261 261 M C 1.546 177.912 176.300 0.110 0.000 1.066 261 M CA 1.698 57.068 55.300 0.116 0.000 1.107 261 M CB -0.744 31.892 32.600 0.059 0.000 1.356 261 M HN 0.544 nan 8.290 nan 0.000 0.406 262 H N -1.037 118.084 119.070 0.085 0.000 2.568 262 H HA 0.068 4.627 4.556 0.005 0.000 0.281 262 H C 0.913 176.269 175.328 0.046 0.000 1.028 262 H CA 1.055 57.144 56.048 0.069 0.000 1.199 262 H CB 0.218 30.021 29.762 0.069 0.000 1.352 262 H HN 0.370 nan 8.280 nan 0.000 0.605 263 A N 0.348 123.255 122.820 0.146 0.000 2.628 263 A HA 0.020 4.343 4.320 0.005 0.000 0.267 263 A C 0.485 178.124 177.584 0.092 0.000 1.159 263 A CA -0.414 51.677 52.037 0.088 0.000 0.972 263 A CB 0.386 19.439 19.000 0.088 0.000 1.211 263 A HN 0.070 nan 8.150 nan 0.000 0.576 264 N N 1.427 120.192 118.700 0.107 0.000 2.482 264 N HA 0.056 4.799 4.740 0.005 0.000 0.242 264 N C 0.705 176.284 175.510 0.114 0.000 1.100 264 N CA 0.057 53.179 53.050 0.121 0.000 0.946 264 N CB 0.853 39.426 38.487 0.144 0.000 1.227 264 N HN 0.583 nan 8.380 nan 0.000 0.508 265 Q N 2.436 122.294 119.800 0.096 0.000 2.224 265 Q HA -0.120 4.223 4.340 0.005 0.000 0.203 265 Q C 0.191 176.254 176.000 0.105 0.000 0.970 265 Q CA 1.180 57.034 55.803 0.086 0.000 0.865 265 Q CB 0.340 29.117 28.738 0.064 0.000 0.922 265 Q HN 0.541 nan 8.270 nan 0.000 0.445 266 D N 0.477 120.951 120.400 0.122 0.000 2.097 266 D HA -0.152 4.491 4.640 0.005 0.000 0.195 266 D C 1.993 178.396 176.300 0.171 0.000 0.989 266 D CA 1.095 55.178 54.000 0.139 0.000 0.827 266 D CB -0.042 40.850 40.800 0.153 0.000 0.966 266 D HN 0.332 nan 8.370 nan 0.000 0.456 267 L N 0.505 121.832 121.223 0.173 0.000 2.049 267 L HA -0.095 4.248 4.340 0.005 0.000 0.203 267 L C 2.682 179.770 176.870 0.365 0.000 1.074 267 L CA 0.503 55.483 54.840 0.232 0.000 0.749 267 L CB -0.451 41.647 42.059 0.066 0.000 0.907 267 L HN -0.109 nan 8.230 nan 0.000 0.439 268 V N -0.596 119.486 119.914 0.280 0.000 2.261 268 V HA -0.264 3.859 4.120 0.005 0.000 0.246 268 V C 2.417 178.546 176.094 0.057 0.000 1.047 268 V CA 2.475 64.856 62.300 0.134 0.000 1.015 268 V CB -0.787 31.093 31.823 0.095 0.000 0.642 268 V HN 0.462 nan 8.190 nan 0.000 0.446 269 T N -0.190 114.413 114.554 0.081 0.000 2.925 269 T HA 0.089 4.442 4.350 0.005 0.000 0.245 269 T C 1.923 176.662 174.700 0.065 0.000 1.025 269 T CA 1.065 63.199 62.100 0.057 0.000 1.149 269 T CB -0.548 68.350 68.868 0.050 0.000 0.866 269 T HN 0.552 nan 8.240 nan 0.000 0.437 270 G N -0.097 108.762 108.800 0.099 0.000 2.446 270 G HA2 -0.221 3.742 3.960 0.005 0.000 0.217 270 G HA3 -0.221 3.742 3.960 0.005 0.000 0.217 270 G C 1.365 176.347 174.900 0.136 0.000 1.168 270 G CA 0.853 46.019 45.100 0.111 0.000 0.771 270 G HN 0.456 nan 8.290 nan 0.000 0.551 271 Y N -0.074 120.257 120.300 0.052 0.000 2.222 271 Y HA 0.273 4.826 4.550 0.006 0.000 0.290 271 Y C 2.489 178.402 175.900 0.023 0.000 1.123 271 Y CA 0.725 58.856 58.100 0.051 0.000 1.120 271 Y CB -0.563 37.943 38.460 0.077 0.000 1.060 271 Y HN 0.080 nan 8.280 nan 0.000 0.508 272 L N 1.059 122.307 121.223 0.042 0.000 2.013 272 L HA -0.218 4.126 4.340 0.005 0.000 0.212 272 L C 1.916 178.720 176.870 -0.111 0.000 1.073 272 L CA 2.112 56.827 54.840 -0.209 0.000 0.753 272 L CB -0.681 41.016 42.059 -0.603 0.000 0.890 272 L HN 0.181 nan 8.230 nan 0.000 0.432 273 K N -1.086 119.293 120.400 -0.035 0.000 2.078 273 K HA -0.032 4.291 4.320 0.005 0.000 0.203 273 K C 1.779 178.361 176.600 -0.030 0.000 1.043 273 K CA 1.179 57.475 56.287 0.014 0.000 0.960 273 K CB -0.173 32.342 32.500 0.024 0.000 0.761 273 K HN 0.285 nan 8.250 nan 0.000 0.448 274 D N 0.166 120.544 120.400 -0.037 0.000 2.123 274 D HA -0.068 4.575 4.640 0.005 0.000 0.200 274 D C 1.821 178.068 176.300 -0.088 0.000 0.976 274 D CA 1.281 55.256 54.000 -0.043 0.000 0.831 274 D CB -0.164 40.630 40.800 -0.010 0.000 0.974 274 D HN 0.113 nan 8.370 nan 0.000 0.469 275 T N 0.801 115.252 114.554 -0.173 0.000 2.837 275 T HA 0.098 4.451 4.350 0.005 0.000 0.248 275 T C 2.124 176.641 174.700 -0.305 0.000 1.033 275 T CA 0.206 62.143 62.100 -0.272 0.000 1.150 275 T CB -0.220 68.356 68.868 -0.486 0.000 0.865 275 T HN 0.033 nan 8.240 nan 0.000 0.425 276 L N 0.630 121.607 121.223 -0.409 0.000 2.465 276 L HA 0.065 4.408 4.340 0.005 0.000 0.224 276 L C 0.542 177.361 176.870 -0.085 0.000 1.145 276 L CA 0.475 55.172 54.840 -0.240 0.000 0.834 276 L CB -0.332 41.592 42.059 -0.226 0.000 0.944 276 L HN 0.208 nan 8.230 nan 0.000 0.451 277 K N -0.164 120.192 120.400 -0.074 0.000 3.117 277 K HA -0.235 4.088 4.320 0.005 0.000 0.269 277 K C -0.134 176.484 176.600 0.031 0.000 1.098 277 K CA 0.519 56.786 56.287 -0.032 0.000 0.785 277 K CB -2.250 30.220 32.500 -0.050 0.000 1.242 277 K HN 0.154 nan 8.250 nan 0.000 0.491 278 F N 1.232 121.119 119.950 -0.105 0.000 2.538 278 F HA 0.101 4.631 4.527 0.005 0.000 0.371 278 F C 1.257 177.023 175.800 -0.056 0.000 1.087 278 F CA -0.001 57.951 58.000 -0.080 0.000 1.250 278 F CB 0.778 39.707 39.000 -0.117 0.000 1.110 278 F HN -0.119 nan 8.300 nan 0.000 0.570 279 K N 3.867 123.902 120.400 -0.608 0.000 2.380 279 K HA 0.307 4.630 4.320 0.005 0.000 0.198 279 K C 0.993 177.162 176.600 -0.718 0.000 1.070 279 K CA 0.444 56.419 56.287 -0.520 0.000 1.040 279 K CB 0.193 32.543 32.500 -0.249 0.000 0.903 279 K HN 0.746 nan 8.250 nan 0.000 0.549 280 G N 0.103 108.073 108.800 -1.383 0.000 2.489 280 G HA2 0.304 4.267 3.960 0.005 0.000 0.271 280 G HA3 0.304 4.267 3.960 0.005 0.000 0.271 280 G C -0.447 174.091 174.900 -0.604 0.000 1.427 280 G CA -0.439 44.174 45.100 -0.811 0.000 1.057 280 G HN 0.167 nan 8.290 nan 0.000 0.532 281 F N -1.546 118.332 119.950 -0.121 0.000 2.458 281 F HA 0.705 5.235 4.527 0.005 0.000 0.330 281 F C -0.476 175.491 175.800 0.278 0.000 1.082 281 F CA -1.754 56.272 58.000 0.043 0.000 0.995 281 F CB 1.585 40.592 39.000 0.011 0.000 1.170 281 F HN 0.222 nan 8.300 nan 0.000 0.478 282 V N 5.270 125.475 119.914 0.486 0.000 2.383 282 V HA 0.362 4.485 4.120 0.005 0.000 0.275 282 V C 0.064 176.363 176.094 0.342 0.000 1.036 282 V CA -0.618 61.876 62.300 0.323 0.000 0.889 282 V CB 1.040 32.970 31.823 0.179 0.000 0.985 282 V HN 0.897 nan 8.190 nan 0.000 0.459 283 I N 4.128 124.877 120.570 0.298 0.000 2.648 283 I HA 0.617 4.791 4.170 0.005 0.000 0.304 283 I C 0.718 176.901 176.117 0.110 0.000 1.009 283 I CA -0.155 61.308 61.300 0.272 0.000 1.114 283 I CB 2.324 40.572 38.000 0.412 0.000 1.293 283 I HN 0.794 nan 8.210 nan 0.000 0.449 284 S N 4.298 120.050 115.700 0.088 0.000 2.713 284 S HA 0.380 4.853 4.470 0.005 0.000 0.277 284 S C -0.442 174.217 174.600 0.097 0.000 1.168 284 S CA -0.659 57.612 58.200 0.118 0.000 0.994 284 S CB 1.463 64.785 63.200 0.203 0.000 1.054 284 S HN 0.662 nan 8.310 nan 0.000 0.555 285 D N -0.580 119.939 120.400 0.197 0.000 2.385 285 D HA 0.141 4.784 4.640 0.005 0.000 0.254 285 D C -0.653 175.718 176.300 0.118 0.000 1.053 285 D CA -0.728 53.256 54.000 -0.027 0.000 0.992 285 D CB 0.921 41.426 40.800 -0.491 0.000 1.145 285 D HN 0.704 nan 8.370 nan 0.000 0.523 286 W N 2.544 123.846 121.300 0.004 0.000 2.703 286 W HA -0.079 4.584 4.660 0.005 0.000 0.356 286 W C 0.086 176.725 176.519 0.199 0.000 1.361 286 W CA 0.895 58.299 57.345 0.099 0.000 1.322 286 W CB -0.530 29.000 29.460 0.116 0.000 1.402 286 W HN 0.660 nan 8.180 nan 0.000 0.579 287 E N 1.836 122.068 120.200 0.053 0.000 2.722 287 E HA -0.262 4.091 4.350 0.005 0.000 0.265 287 E C 1.403 178.096 176.600 0.155 0.000 1.081 287 E CA 0.461 56.908 56.400 0.079 0.000 0.781 287 E CB -1.456 28.304 29.700 0.101 0.000 1.372 287 E HN 0.708 nan 8.360 nan 0.000 0.423 288 G N 1.370 110.230 108.800 0.100 0.000 2.440 288 G HA2 -0.252 3.711 3.960 0.005 0.000 0.218 288 G HA3 -0.252 3.711 3.960 0.005 0.000 0.218 288 G C 1.478 176.096 174.900 -0.470 0.000 1.154 288 G CA 1.124 46.017 45.100 -0.344 0.000 0.767 288 G HN 0.560 nan 8.290 nan 0.000 0.552 289 I N -1.175 119.303 120.570 -0.153 0.000 2.546 289 I HA 0.006 4.180 4.170 0.005 0.000 0.255 289 I C 1.707 177.814 176.117 -0.016 0.000 1.163 289 I CA 1.729 62.998 61.300 -0.051 0.000 1.457 289 I CB -0.320 37.659 38.000 -0.035 0.000 1.092 289 I HN -0.067 nan 8.210 nan 0.000 0.434 290 D N 1.858 122.295 120.400 0.062 0.000 2.117 290 D HA -0.132 4.511 4.640 0.005 0.000 0.197 290 D C 2.082 178.437 176.300 0.093 0.000 0.987 290 D CA 1.318 55.407 54.000 0.149 0.000 0.829 290 D CB -0.220 40.688 40.800 0.180 0.000 0.961 290 D HN 0.422 nan 8.370 nan 0.000 0.460 291 R N 0.166 120.694 120.500 0.047 0.000 2.323 291 R HA 0.155 4.498 4.340 0.005 0.000 0.198 291 R C 1.798 178.130 176.300 0.053 0.000 0.988 291 R CA 0.041 56.161 56.100 0.034 0.000 1.041 291 R CB -0.059 30.239 30.300 -0.002 0.000 0.926 291 R HN 0.295 nan 8.270 nan 0.000 0.476 292 I N 0.788 121.397 120.570 0.065 0.000 2.226 292 I HA -0.189 3.984 4.170 0.005 0.000 0.245 292 I C 1.550 177.754 176.117 0.146 0.000 1.100 292 I CA 1.155 62.522 61.300 0.111 0.000 1.374 292 I CB -0.405 37.660 38.000 0.107 0.000 1.057 292 I HN 0.235 nan 8.210 nan 0.000 0.413 293 T N -2.089 112.557 114.554 0.153 0.000 2.824 293 T HA 0.349 4.702 4.350 0.005 0.000 0.277 293 T C 0.042 174.791 174.700 0.082 0.000 0.975 293 T CA -0.449 61.733 62.100 0.137 0.000 0.966 293 T CB 1.844 70.806 68.868 0.157 0.000 1.054 293 T HN 0.168 nan 8.240 nan 0.000 0.533 294 T N 0.824 115.412 114.554 0.056 0.000 3.293 294 T HA 0.526 4.879 4.350 0.005 0.000 0.320 294 T C -2.900 171.816 174.700 0.026 0.000 0.995 294 T CA -1.110 61.012 62.100 0.036 0.000 1.041 294 T CB 0.443 69.327 68.868 0.026 0.000 1.058 294 T HN 0.668 nan 8.240 nan 0.000 0.453 295 P HA 0.449 nan 4.420 nan 0.000 0.270 295 P C -0.433 176.895 177.300 0.047 0.000 1.221 295 P CA -0.464 62.654 63.100 0.030 0.000 0.788 295 P CB 0.237 31.952 31.700 0.026 0.000 0.904 296 A N 1.189 124.035 122.820 0.044 0.000 2.425 296 A HA 0.461 4.784 4.320 0.005 0.000 0.249 296 A C 1.438 179.071 177.584 0.083 0.000 1.084 296 A CA 0.305 52.378 52.037 0.061 0.000 0.781 296 A CB -0.922 18.103 19.000 0.041 0.000 1.019 296 A HN 0.966 nan 8.150 nan 0.000 0.490 297 G N 1.140 110.018 108.800 0.130 0.000 2.166 297 G HA2 -0.284 3.679 3.960 0.005 0.000 0.260 297 G HA3 -0.284 3.679 3.960 0.005 0.000 0.260 297 G C 0.975 175.959 174.900 0.141 0.000 0.986 297 G CA 1.327 46.531 45.100 0.174 0.000 0.683 297 G HN 2.096 nan 8.290 nan 0.000 0.527 298 S N -1.144 114.624 115.700 0.113 0.000 2.650 298 S HA 0.364 4.837 4.470 0.005 0.000 0.219 298 S C 0.584 175.248 174.600 0.107 0.000 0.960 298 S CA 0.865 59.117 58.200 0.087 0.000 0.925 298 S CB 0.461 63.696 63.200 0.059 0.000 0.775 298 S HN 0.486 nan 8.310 nan 0.000 0.525 299 D N -0.399 120.099 120.400 0.163 0.000 3.709 299 D HA 0.036 4.680 4.640 0.005 0.000 0.246 299 D C -0.135 176.316 176.300 0.252 0.000 1.445 299 D CA -0.445 53.668 54.000 0.188 0.000 0.861 299 D CB -0.694 40.206 40.800 0.168 0.000 1.433 299 D HN 0.091 nan 8.370 nan 0.000 0.723 300 Y N 1.035 121.399 120.300 0.107 0.000 2.193 300 Y HA -0.226 4.327 4.550 0.005 0.000 0.285 300 Y C 2.295 178.273 175.900 0.129 0.000 1.166 300 Y CA 2.441 60.604 58.100 0.104 0.000 1.181 300 Y CB -0.059 38.443 38.460 0.069 0.000 0.976 300 Y HN 0.291 nan 8.280 nan 0.000 0.520 301 S N -1.007 114.828 115.700 0.225 0.000 2.365 301 S HA -0.322 4.151 4.470 0.005 0.000 0.225 301 S C 2.010 176.753 174.600 0.239 0.000 1.039 301 S CA 1.739 60.062 58.200 0.205 0.000 1.033 301 S CB -0.929 62.399 63.200 0.212 0.000 0.887 301 S HN 0.665 nan 8.310 nan 0.000 0.447 302 Y N 2.101 122.456 120.300 0.091 0.000 2.224 302 Y HA -0.053 4.500 4.550 0.006 0.000 0.289 302 Y C 2.552 178.455 175.900 0.006 0.000 1.146 302 Y CA 1.715 59.841 58.100 0.043 0.000 1.182 302 Y CB -0.887 37.594 38.460 0.034 0.000 0.983 302 Y HN 0.288 nan 8.280 nan 0.000 0.524 303 S N -0.453 115.159 115.700 -0.146 0.000 2.365 303 S HA -0.219 4.254 4.470 0.005 0.000 0.225 303 S C 2.135 176.563 174.600 -0.287 0.000 1.039 303 S CA 1.707 59.746 58.200 -0.269 0.000 1.033 303 S CB -0.830 62.205 63.200 -0.275 0.000 0.887 303 S HN 0.345 nan 8.310 nan 0.000 0.447 304 V N 1.743 121.505 119.914 -0.254 0.000 2.358 304 V HA -0.170 3.954 4.120 0.005 0.000 0.246 304 V C 2.392 178.454 176.094 -0.053 0.000 1.047 304 V CA 1.689 63.932 62.300 -0.095 0.000 1.035 304 V CB -0.545 31.245 31.823 -0.055 0.000 0.658 304 V HN 0.399 nan 8.190 nan 0.000 0.452 305 K N 0.136 120.473 120.400 -0.104 0.000 1.985 305 K HA -0.187 4.136 4.320 0.005 0.000 0.210 305 K C 2.303 178.764 176.600 -0.232 0.000 1.047 305 K CA 1.631 57.783 56.287 -0.224 0.000 0.932 305 K CB -0.420 31.875 32.500 -0.341 0.000 0.716 305 K HN 0.407 nan 8.250 nan 0.000 0.439 306 A N 1.111 123.687 122.820 -0.408 0.000 1.865 306 A HA -0.231 4.092 4.320 0.005 0.000 0.217 306 A C 2.195 179.687 177.584 -0.153 0.000 1.191 306 A CA 2.670 54.495 52.037 -0.354 0.000 0.623 306 A CB -1.052 17.550 19.000 -0.663 0.000 0.826 306 A HN 0.591 nan 8.150 nan 0.000 0.444 307 S N 0.063 115.691 115.700 -0.120 0.000 2.348 307 S HA -0.156 4.317 4.470 0.005 0.000 0.221 307 S C 1.831 176.440 174.600 0.014 0.000 1.033 307 S CA 1.559 59.755 58.200 -0.007 0.000 1.010 307 S CB -0.661 62.563 63.200 0.041 0.000 0.891 307 S HN 0.334 nan 8.310 nan 0.000 0.442 308 I N 2.361 122.940 120.570 0.015 0.000 2.179 308 I HA -0.064 4.109 4.170 0.005 0.000 0.242 308 I C 2.517 178.640 176.117 0.010 0.000 1.088 308 I CA 1.091 62.411 61.300 0.034 0.000 1.357 308 I CB -1.504 36.522 38.000 0.042 0.000 1.051 308 I HN 0.319 nan 8.210 nan 0.000 0.409 309 L N 0.551 121.762 121.223 -0.020 0.000 2.201 309 L HA -0.124 4.219 4.340 0.005 0.000 0.212 309 L C 2.670 179.542 176.870 0.003 0.000 1.105 309 L CA 0.933 55.763 54.840 -0.016 0.000 0.775 309 L CB -0.607 41.429 42.059 -0.038 0.000 0.913 309 L HN 0.175 nan 8.230 nan 0.000 0.440 310 A N -0.417 122.407 122.820 0.007 0.000 2.015 310 A HA 0.072 4.395 4.320 0.005 0.000 0.219 310 A C 1.906 179.514 177.584 0.039 0.000 1.163 310 A CA 1.542 53.597 52.037 0.029 0.000 0.646 310 A CB -0.363 18.658 19.000 0.035 0.000 0.806 310 A HN 0.529 nan 8.150 nan 0.000 0.448 311 G N -2.908 105.913 108.800 0.035 0.000 2.318 311 G HA2 -0.051 3.913 3.960 0.005 0.000 0.172 311 G HA3 -0.051 3.913 3.960 0.005 0.000 0.172 311 G C -0.116 174.815 174.900 0.052 0.000 1.002 311 G CA -0.146 44.978 45.100 0.041 0.000 0.697 311 G HN 0.279 nan 8.290 nan 0.000 0.483 312 L N 1.976 123.231 121.223 0.052 0.000 2.485 312 L HA 0.351 4.694 4.340 0.005 0.000 0.275 312 L C 1.187 178.110 176.870 0.087 0.000 1.207 312 L CA 0.817 55.699 54.840 0.070 0.000 0.855 312 L CB 0.584 42.680 42.059 0.062 0.000 1.114 312 L HN 0.135 nan 8.230 nan 0.000 0.485 313 D N 1.123 121.591 120.400 0.114 0.000 2.394 313 D HA 0.105 4.748 4.640 0.005 0.000 0.226 313 D C 0.392 176.718 176.300 0.043 0.000 0.990 313 D CA 0.683 54.734 54.000 0.085 0.000 0.902 313 D CB 0.563 41.429 40.800 0.111 0.000 1.038 313 D HN 0.401 nan 8.370 nan 0.000 0.499 314 M N 1.451 121.089 119.600 0.062 0.000 2.326 314 M HA 0.321 4.804 4.480 0.005 0.000 0.306 314 M C -1.873 174.434 176.300 0.012 0.000 1.054 314 M CA -0.602 54.695 55.300 -0.004 0.000 0.922 314 M CB 2.349 34.894 32.600 -0.092 0.000 1.632 314 M HN -0.328 nan 8.290 nan 0.000 0.436 315 I N 5.305 125.815 120.570 -0.101 0.000 2.354 315 I HA 0.290 4.463 4.170 0.005 0.000 0.292 315 I C -0.204 175.753 176.117 -0.267 0.000 0.989 315 I CA -0.402 60.759 61.300 -0.231 0.000 1.188 315 I CB 1.518 39.167 38.000 -0.584 0.000 1.342 315 I HN 0.912 nan 8.210 nan 0.000 0.457 316 M N 6.874 126.380 119.600 -0.156 0.000 2.974 316 M HA 0.118 4.601 4.480 0.005 0.000 0.301 316 M C 0.713 176.857 176.300 -0.260 0.000 1.409 316 M CA -0.187 55.018 55.300 -0.159 0.000 1.515 316 M CB 0.158 32.714 32.600 -0.073 0.000 1.163 316 M HN 0.516 nan 8.290 nan 0.000 0.520 317 V N 4.676 124.392 119.914 -0.331 0.000 2.218 317 V HA -0.195 3.928 4.120 0.005 0.000 0.251 317 V C -0.957 174.906 176.094 -0.386 0.000 1.057 317 V CA 2.077 64.192 62.300 -0.309 0.000 1.022 317 V CB -1.665 30.017 31.823 -0.234 0.000 0.645 317 V HN 0.710 nan 8.190 nan 0.000 0.451 318 P HA 0.181 nan 4.420 nan 0.000 0.291 318 P C 0.402 177.526 177.300 -0.292 0.000 1.388 318 P CA 0.364 63.185 63.100 -0.465 0.000 1.061 318 P CB 0.553 31.811 31.700 -0.737 0.000 1.534 319 N N 0.780 119.322 118.700 -0.263 0.000 2.684 319 N HA 0.075 4.818 4.740 0.005 0.000 0.220 319 N C 0.703 176.131 175.510 -0.135 0.000 1.037 319 N CA 0.424 53.392 53.050 -0.136 0.000 0.975 319 N CB -0.098 38.293 38.487 -0.159 0.000 1.426 319 N HN 0.088 nan 8.380 nan 0.000 0.450 320 K N 2.636 122.907 120.400 -0.216 0.000 2.686 320 K HA 0.019 4.343 4.320 0.005 0.000 0.244 320 K C 0.559 177.033 176.600 -0.209 0.000 1.262 320 K CA -0.157 55.948 56.287 -0.303 0.000 1.199 320 K CB -0.506 31.797 32.500 -0.327 0.000 1.428 320 K HN 0.403 nan 8.250 nan 0.000 0.247 321 Y N -1.114 119.168 120.300 -0.031 0.000 2.293 321 Y HA -0.210 4.343 4.550 0.006 0.000 0.291 321 Y C 2.149 178.111 175.900 0.102 0.000 1.137 321 Y CA 0.754 58.892 58.100 0.063 0.000 1.202 321 Y CB -0.466 38.002 38.460 0.014 0.000 0.990 321 Y HN 0.316 nan 8.280 nan 0.000 0.537 322 Q N 0.659 120.241 119.800 -0.363 0.000 2.050 322 Q HA -0.296 4.047 4.340 0.005 0.000 0.202 322 Q C 2.523 178.495 176.000 -0.046 0.000 0.980 322 Q CA 2.033 57.756 55.803 -0.132 0.000 0.840 322 Q CB -0.192 28.378 28.738 -0.280 0.000 0.898 322 Q HN 0.765 nan 8.270 nan 0.000 0.424 323 Q N -0.610 119.127 119.800 -0.105 0.000 2.050 323 Q HA -0.211 4.133 4.340 0.005 0.000 0.202 323 Q C 1.925 177.990 176.000 0.108 0.000 0.980 323 Q CA 1.662 57.425 55.803 -0.066 0.000 0.840 323 Q CB -0.261 28.338 28.738 -0.230 0.000 0.898 323 Q HN 0.449 nan 8.270 nan 0.000 0.424 324 F N 0.956 120.962 119.950 0.095 0.000 2.069 324 F HA -0.200 4.330 4.527 0.005 0.000 0.298 324 F C 1.814 177.693 175.800 0.131 0.000 1.113 324 F CA 1.593 59.753 58.000 0.266 0.000 1.214 324 F CB -0.269 38.874 39.000 0.239 0.000 0.978 324 F HN 0.070 nan 8.300 nan 0.000 0.474 325 I N -0.874 119.696 120.570 -0.000 0.000 2.252 325 I HA -0.284 3.889 4.170 0.005 0.000 0.245 325 I C 2.717 178.752 176.117 -0.137 0.000 1.102 325 I CA 1.393 62.623 61.300 -0.116 0.000 1.385 325 I CB -0.886 37.175 38.000 0.101 0.000 1.064 325 I HN 0.211 nan 8.210 nan 0.000 0.414 326 S N 1.223 116.881 115.700 -0.069 0.000 2.353 326 S HA -0.158 4.315 4.470 0.005 0.000 0.222 326 S C 2.073 176.588 174.600 -0.142 0.000 1.035 326 S CA 1.451 59.605 58.200 -0.076 0.000 1.025 326 S CB -0.271 62.900 63.200 -0.049 0.000 0.902 326 S HN 0.304 nan 8.310 nan 0.000 0.440 327 I N 0.982 121.452 120.570 -0.167 0.000 2.179 327 I HA -0.146 4.027 4.170 0.005 0.000 0.242 327 I C 2.344 178.199 176.117 -0.436 0.000 1.088 327 I CA 0.870 61.998 61.300 -0.286 0.000 1.357 327 I CB -0.377 37.523 38.000 -0.166 0.000 1.051 327 I HN 0.329 nan 8.210 nan 0.000 0.409 328 L N 0.550 121.528 121.223 -0.409 0.000 2.083 328 L HA -0.175 4.169 4.340 0.005 0.000 0.209 328 L C 2.450 179.202 176.870 -0.196 0.000 1.083 328 L CA 2.087 56.723 54.840 -0.339 0.000 0.752 328 L CB -0.994 40.728 42.059 -0.562 0.000 0.899 328 L HN 0.162 nan 8.230 nan 0.000 0.433 329 T N -0.571 113.871 114.554 -0.187 0.000 2.708 329 T HA -0.118 4.236 4.350 0.005 0.000 0.266 329 T C 1.732 176.385 174.700 -0.080 0.000 1.037 329 T CA 1.312 63.350 62.100 -0.103 0.000 1.146 329 T CB -0.964 67.858 68.868 -0.077 0.000 0.865 329 T HN 0.574 nan 8.240 nan 0.000 0.435 330 G N 0.653 109.380 108.800 -0.123 0.000 2.446 330 G HA2 -0.275 3.688 3.960 0.005 0.000 0.217 330 G HA3 -0.275 3.688 3.960 0.005 0.000 0.217 330 G C 1.230 176.124 174.900 -0.010 0.000 1.168 330 G CA 0.995 46.040 45.100 -0.091 0.000 0.771 330 G HN 0.624 nan 8.290 nan 0.000 0.551 331 H N -0.746 118.296 119.070 -0.046 0.000 2.387 331 H HA -0.039 4.521 4.556 0.005 0.000 0.299 331 H C 2.743 178.048 175.328 -0.037 0.000 1.090 331 H CA 0.693 56.717 56.048 -0.040 0.000 1.332 331 H CB 0.211 29.940 29.762 -0.055 0.000 1.386 331 H HN 0.256 nan 8.280 nan 0.000 0.516 332 V N 1.134 121.095 119.914 0.078 0.000 2.323 332 V HA -0.230 3.893 4.120 0.005 0.000 0.244 332 V C 1.896 178.001 176.094 0.019 0.000 1.041 332 V CA 1.550 63.867 62.300 0.028 0.000 1.025 332 V CB -0.305 31.516 31.823 -0.002 0.000 0.656 332 V HN 0.525 nan 8.190 nan 0.000 0.451 333 N N 1.061 119.768 118.700 0.011 0.000 2.205 333 N HA -0.128 4.615 4.740 0.005 0.000 0.186 333 N C 1.715 177.235 175.510 0.017 0.000 1.015 333 N CA 1.672 54.726 53.050 0.007 0.000 0.862 333 N CB -0.446 38.040 38.487 -0.001 0.000 0.986 333 N HN 0.554 nan 8.380 nan 0.000 0.429 334 G N -1.156 107.665 108.800 0.034 0.000 2.985 334 G HA2 0.283 4.246 3.960 0.005 0.000 0.209 334 G HA3 0.283 4.246 3.960 0.005 0.000 0.209 334 G C 1.031 175.948 174.900 0.028 0.000 1.165 334 G CA 0.516 45.638 45.100 0.037 0.000 0.776 334 G HN 0.452 nan 8.290 nan 0.000 0.541 335 G N -0.687 108.126 108.800 0.022 0.000 2.179 335 G HA2 -0.355 3.608 3.960 0.005 0.000 0.260 335 G HA3 -0.355 3.608 3.960 0.005 0.000 0.260 335 G C 1.273 176.172 174.900 -0.001 0.000 0.977 335 G CA 0.586 45.691 45.100 0.008 0.000 0.641 335 G HN 0.505 nan 8.290 nan 0.000 0.533 336 V N 0.267 120.180 119.914 -0.002 0.000 2.490 336 V HA 0.124 4.247 4.120 0.005 0.000 0.250 336 V C 1.464 177.518 176.094 -0.066 0.000 1.061 336 V CA 1.931 64.200 62.300 -0.052 0.000 1.064 336 V CB -0.159 31.590 31.823 -0.123 0.000 0.670 336 V HN 0.509 nan 8.190 nan 0.000 0.461 337 I N 2.177 122.729 120.570 -0.029 0.000 2.439 337 I HA 0.337 4.511 4.170 0.005 0.000 0.285 337 I C -2.467 173.644 176.117 -0.009 0.000 1.021 337 I CA -1.973 59.313 61.300 -0.024 0.000 1.091 337 I CB 2.464 40.458 38.000 -0.009 0.000 1.242 337 I HN 0.064 nan 8.210 nan 0.000 0.439 338 P HA 0.091 nan 4.420 nan 0.000 0.271 338 P C 0.553 177.848 177.300 -0.009 0.000 1.218 338 P CA -0.415 62.680 63.100 -0.008 0.000 0.780 338 P CB 1.066 32.760 31.700 -0.009 0.000 0.901 339 M N 2.066 121.660 119.600 -0.010 0.000 2.267 339 M HA -0.134 4.349 4.480 0.005 0.000 0.263 339 M C 1.971 178.262 176.300 -0.014 0.000 1.063 339 M CA 2.014 57.306 55.300 -0.014 0.000 1.090 339 M CB -1.599 30.991 32.600 -0.016 0.000 1.392 339 M HN 0.498 nan 8.290 nan 0.000 0.422 340 S N -0.424 115.268 115.700 -0.012 0.000 2.383 340 S HA -0.171 4.302 4.470 0.005 0.000 0.227 340 S C 1.974 176.569 174.600 -0.009 0.000 1.026 340 S CA 1.115 59.308 58.200 -0.012 0.000 0.981 340 S CB -0.422 62.772 63.200 -0.010 0.000 0.818 340 S HN 0.345 nan 8.310 nan 0.000 0.472 341 R N 1.670 122.166 120.500 -0.006 0.000 2.073 341 R HA 0.099 4.442 4.340 0.005 0.000 0.234 341 R C 2.116 178.415 176.300 -0.001 0.000 1.134 341 R CA 1.616 57.715 56.100 -0.001 0.000 0.952 341 R CB -0.947 29.352 30.300 -0.001 0.000 0.850 341 R HN 0.431 nan 8.270 nan 0.000 0.433 342 I N 1.270 121.837 120.570 -0.005 0.000 2.179 342 I HA -0.244 3.929 4.170 0.005 0.000 0.242 342 I C 1.540 177.648 176.117 -0.015 0.000 1.088 342 I CA 1.554 62.850 61.300 -0.008 0.000 1.357 342 I CB -1.256 36.735 38.000 -0.015 0.000 1.051 342 I HN 0.211 nan 8.210 nan 0.000 0.409 343 D N 0.635 121.024 120.400 -0.019 0.000 2.123 343 D HA -0.225 4.418 4.640 0.005 0.000 0.196 343 D C 1.861 178.149 176.300 -0.020 0.000 0.992 343 D CA 1.577 55.563 54.000 -0.023 0.000 0.833 343 D CB -0.283 40.503 40.800 -0.024 0.000 0.954 343 D HN 0.410 nan 8.370 nan 0.000 0.455 344 D N 0.326 120.717 120.400 -0.015 0.000 2.097 344 D HA -0.112 4.531 4.640 0.005 0.000 0.195 344 D C 1.963 178.258 176.300 -0.009 0.000 0.989 344 D CA 1.810 55.802 54.000 -0.014 0.000 0.827 344 D CB -0.052 40.742 40.800 -0.009 0.000 0.966 344 D HN 0.083 nan 8.370 nan 0.000 0.456 345 A N -0.106 122.713 122.820 -0.003 0.000 1.883 345 A HA -0.133 4.190 4.320 0.005 0.000 0.217 345 A C 2.513 180.081 177.584 -0.026 0.000 1.186 345 A CA 1.808 53.846 52.037 0.001 0.000 0.624 345 A CB -0.913 18.094 19.000 0.012 0.000 0.822 345 A HN 0.241 nan 8.150 nan 0.000 0.444 346 V N -0.453 119.442 119.914 -0.032 0.000 2.515 346 V HA -0.187 3.936 4.120 0.005 0.000 0.250 346 V C 2.680 178.756 176.094 -0.030 0.000 1.058 346 V CA 2.285 64.557 62.300 -0.048 0.000 1.064 346 V CB -1.190 30.605 31.823 -0.047 0.000 0.675 346 V HN 0.601 nan 8.190 nan 0.000 0.461 347 T N -0.052 114.491 114.554 -0.018 0.000 2.684 347 T HA -0.222 4.131 4.350 0.005 0.000 0.267 347 T C 2.105 176.812 174.700 0.011 0.000 1.036 347 T CA 1.750 63.847 62.100 -0.004 0.000 1.148 347 T CB -0.214 68.644 68.868 -0.017 0.000 0.863 347 T HN 0.439 nan 8.240 nan 0.000 0.436 348 R N 0.254 120.756 120.500 0.004 0.000 2.075 348 R HA 0.103 4.447 4.340 0.005 0.000 0.232 348 R C 2.449 178.814 176.300 0.108 0.000 1.126 348 R CA 1.088 57.207 56.100 0.032 0.000 0.963 348 R CB -0.405 29.914 30.300 0.032 0.000 0.858 348 R HN 0.393 nan 8.270 nan 0.000 0.435 349 I N 0.677 121.242 120.570 -0.007 0.000 2.252 349 I HA -0.276 3.898 4.170 0.005 0.000 0.245 349 I C 2.104 178.206 176.117 -0.025 0.000 1.102 349 I CA 1.293 62.488 61.300 -0.174 0.000 1.385 349 I CB -0.218 37.545 38.000 -0.395 0.000 1.064 349 I HN 0.148 nan 8.210 nan 0.000 0.414 350 L N 0.175 121.404 121.223 0.011 0.000 2.093 350 L HA -0.177 4.166 4.340 0.005 0.000 0.208 350 L C 2.772 179.765 176.870 0.206 0.000 1.085 350 L CA 1.100 55.983 54.840 0.072 0.000 0.755 350 L CB -0.575 41.558 42.059 0.123 0.000 0.904 350 L HN 0.222 nan 8.230 nan 0.000 0.435 351 R N 0.206 120.816 120.500 0.184 0.000 2.083 351 R HA -0.169 4.174 4.340 0.005 0.000 0.237 351 R C 2.191 178.598 176.300 0.179 0.000 1.137 351 R CA 1.853 58.063 56.100 0.183 0.000 0.951 351 R CB -0.246 30.101 30.300 0.079 0.000 0.851 351 R HN 0.148 nan 8.270 nan 0.000 0.434 352 V N 1.464 121.477 119.914 0.165 0.000 2.295 352 V HA -0.252 3.871 4.120 0.005 0.000 0.246 352 V C 2.264 178.430 176.094 0.120 0.000 1.049 352 V CA 2.098 64.485 62.300 0.146 0.000 1.024 352 V CB -0.480 31.492 31.823 0.249 0.000 0.648 352 V HN 0.390 nan 8.190 nan 0.000 0.447 353 K N -0.745 119.724 120.400 0.114 0.000 2.057 353 K HA -0.140 4.183 4.320 0.005 0.000 0.207 353 K C 2.105 178.796 176.600 0.151 0.000 1.049 353 K CA 1.637 57.965 56.287 0.069 0.000 0.931 353 K CB -0.336 32.166 32.500 0.002 0.000 0.714 353 K HN 0.343 nan 8.250 nan 0.000 0.440 354 F N 1.495 121.564 119.950 0.197 0.000 2.113 354 F HA -0.167 4.363 4.527 0.004 0.000 0.297 354 F C 2.648 178.481 175.800 0.055 0.000 1.103 354 F CA 1.273 59.327 58.000 0.089 0.000 1.248 354 F CB -0.983 37.964 39.000 -0.088 0.000 0.999 354 F HN -0.019 nan 8.300 nan 0.000 0.475 355 T N 1.056 115.750 114.554 0.233 0.000 2.699 355 T HA -0.276 4.078 4.350 0.005 0.000 0.268 355 T C 1.883 176.594 174.700 0.017 0.000 1.036 355 T CA 1.931 64.097 62.100 0.110 0.000 1.147 355 T CB -0.547 68.375 68.868 0.090 0.000 0.862 355 T HN 0.399 nan 8.240 nan 0.000 0.446 356 M N 0.344 119.950 119.600 0.009 0.000 2.659 356 M HA 0.379 4.862 4.480 0.005 0.000 0.243 356 M C 1.507 177.804 176.300 -0.004 0.000 1.111 356 M CA 0.952 56.218 55.300 -0.055 0.000 1.070 356 M CB -0.239 32.327 32.600 -0.056 0.000 1.525 356 M HN 0.263 nan 8.290 nan 0.000 0.517 357 G N 1.588 110.432 108.800 0.074 0.000 2.143 357 G HA2 -0.250 3.713 3.960 0.005 0.000 0.248 357 G HA3 -0.250 3.713 3.960 0.005 0.000 0.248 357 G C 0.570 175.535 174.900 0.108 0.000 0.991 357 G CA 0.395 45.559 45.100 0.107 0.000 0.689 357 G HN 0.535 nan 8.290 nan 0.000 0.522 358 L N -1.209 120.066 121.223 0.087 0.000 2.081 358 L HA -0.089 4.254 4.340 0.005 0.000 0.212 358 L C 2.680 179.515 176.870 -0.058 0.000 1.080 358 L CA 2.220 57.047 54.840 -0.022 0.000 0.754 358 L CB -0.349 41.645 42.059 -0.108 0.000 0.893 358 L HN 0.364 nan 8.230 nan 0.000 0.433 359 F N 0.004 119.911 119.950 -0.071 0.000 2.365 359 F HA -0.173 4.357 4.527 0.004 0.000 0.300 359 F C 2.349 178.165 175.800 0.027 0.000 1.090 359 F CA 0.884 58.868 58.000 -0.027 0.000 1.408 359 F CB -0.163 38.867 39.000 0.049 0.000 1.060 359 F HN 0.087 nan 8.300 nan 0.000 0.534 360 E N -0.744 119.583 120.200 0.211 0.000 2.140 360 E HA 0.032 4.385 4.350 0.005 0.000 0.191 360 E C 0.267 176.920 176.600 0.088 0.000 0.973 360 E CA 0.661 57.147 56.400 0.144 0.000 0.829 360 E CB -0.019 29.760 29.700 0.132 0.000 0.781 360 E HN 0.121 nan 8.360 nan 0.000 0.466 361 N N 0.576 119.306 118.700 0.050 0.000 2.844 361 N HA 0.159 4.902 4.740 0.005 0.000 0.268 361 N C -2.345 173.137 175.510 -0.048 0.000 1.574 361 N CA -0.828 52.240 53.050 0.031 0.000 0.838 361 N CB 1.608 40.120 38.487 0.042 0.000 1.177 361 N HN -0.019 nan 8.380 nan 0.000 0.495 362 P HA 0.010 nan 4.420 nan 0.000 0.225 362 P C -0.471 176.533 177.300 -0.494 0.000 1.156 362 P CA 1.076 63.925 63.100 -0.419 0.000 0.787 362 P CB 0.163 31.462 31.700 -0.669 0.000 0.802 363 Y N -0.698 119.607 120.300 0.009 0.000 2.528 363 Y HA 0.616 5.169 4.550 0.004 0.000 0.335 363 Y C 0.922 176.832 175.900 0.016 0.000 1.093 363 Y CA -1.924 56.185 58.100 0.014 0.000 1.134 363 Y CB 0.443 38.909 38.460 0.011 0.000 1.253 363 Y HN -0.226 nan 8.280 nan 0.000 0.478 364 A N 0.895 123.836 122.820 0.202 0.000 2.366 364 A HA 0.258 4.581 4.320 0.005 0.000 0.249 364 A C -0.573 177.067 177.584 0.093 0.000 1.084 364 A CA -0.178 51.926 52.037 0.112 0.000 0.794 364 A CB -0.028 19.026 19.000 0.090 0.000 1.034 364 A HN 0.683 nan 8.150 nan 0.000 0.491 365 D N 1.207 121.646 120.400 0.064 0.000 2.392 365 D HA 0.427 5.070 4.640 0.005 0.000 0.228 365 D C -1.980 174.344 176.300 0.039 0.000 1.074 365 D CA -2.064 51.966 54.000 0.050 0.000 0.838 365 D CB 1.432 42.258 40.800 0.044 0.000 1.067 365 D HN 0.060 nan 8.370 nan 0.000 0.511 366 P HA -0.123 nan 4.420 nan 0.000 0.216 366 P C 1.030 178.343 177.300 0.023 0.000 1.150 366 P CA 1.339 64.454 63.100 0.025 0.000 0.843 366 P CB 0.204 31.914 31.700 0.016 0.000 0.787 367 A N -1.055 121.778 122.820 0.022 0.000 2.076 367 A HA -0.164 4.159 4.320 0.005 0.000 0.220 367 A C 1.958 179.555 177.584 0.021 0.000 1.160 367 A CA 1.466 53.515 52.037 0.019 0.000 0.653 367 A CB -1.202 17.809 19.000 0.019 0.000 0.801 367 A HN 0.084 nan 8.150 nan 0.000 0.455 368 M N -0.893 118.722 119.600 0.026 0.000 2.558 368 M HA 0.088 4.572 4.480 0.005 0.000 0.255 368 M C 2.314 178.630 176.300 0.026 0.000 1.113 368 M CA 0.862 56.179 55.300 0.028 0.000 1.097 368 M CB -1.277 31.341 32.600 0.029 0.000 1.426 368 M HN 0.487 nan 8.290 nan 0.000 0.488 369 A N 0.933 123.768 122.820 0.026 0.000 1.892 369 A HA -0.179 4.145 4.320 0.005 0.000 0.218 369 A C 1.948 179.543 177.584 0.019 0.000 1.188 369 A CA 1.578 53.632 52.037 0.028 0.000 0.631 369 A CB -0.532 18.488 19.000 0.033 0.000 0.822 369 A HN 0.447 nan 8.150 nan 0.000 0.447 370 E N -0.054 120.152 120.200 0.009 0.000 2.331 370 E HA -0.189 4.165 4.350 0.005 0.000 0.199 370 E C 1.902 178.489 176.600 -0.022 0.000 1.008 370 E CA 0.811 57.207 56.400 -0.008 0.000 0.843 370 E CB -0.304 29.388 29.700 -0.014 0.000 0.761 370 E HN 0.637 nan 8.360 nan 0.000 0.507 371 Q N 0.147 119.951 119.800 0.007 0.000 2.170 371 Q HA -0.075 4.268 4.340 0.005 0.000 0.203 371 Q C 0.966 176.999 176.000 0.055 0.000 0.976 371 Q CA 0.192 56.019 55.803 0.040 0.000 0.858 371 Q CB -0.444 28.357 28.738 0.106 0.000 0.907 371 Q HN 0.215 nan 8.270 nan 0.000 0.433 372 L N 1.038 122.276 121.223 0.025 0.000 2.562 372 L HA 0.153 4.496 4.340 0.005 0.000 0.271 372 L C 0.937 177.794 176.870 -0.021 0.000 1.167 372 L CA 1.434 56.279 54.840 0.008 0.000 0.917 372 L CB 0.099 42.148 42.059 -0.015 0.000 1.187 372 L HN 0.487 nan 8.230 nan 0.000 0.482 373 G N 3.039 111.829 108.800 -0.016 0.000 2.168 373 G HA2 -0.366 3.597 3.960 0.005 0.000 0.257 373 G HA3 -0.366 3.597 3.960 0.005 0.000 0.257 373 G C 0.590 175.422 174.900 -0.113 0.000 0.997 373 G CA 0.543 45.598 45.100 -0.075 0.000 0.708 373 G HN 0.762 nan 8.290 nan 0.000 0.520 374 K N -0.202 120.087 120.400 -0.186 0.000 2.484 374 K HA 0.177 4.500 4.320 0.005 0.000 0.280 374 K C 1.750 178.189 176.600 -0.268 0.000 1.013 374 K CA 0.296 56.395 56.287 -0.312 0.000 1.029 374 K CB 0.479 32.616 32.500 -0.606 0.000 0.902 374 K HN 0.156 nan 8.250 nan 0.000 0.481 375 Q N 3.030 122.726 119.800 -0.174 0.000 2.133 375 Q HA -0.263 4.080 4.340 0.005 0.000 0.208 375 Q C 0.830 176.773 176.000 -0.095 0.000 0.991 375 Q CA 2.304 58.037 55.803 -0.116 0.000 0.867 375 Q CB -0.016 28.672 28.738 -0.083 0.000 0.911 375 Q HN 0.712 nan 8.270 nan 0.000 0.417 376 E N -0.992 119.137 120.200 -0.117 0.000 2.097 376 E HA -0.200 4.153 4.350 0.005 0.000 0.196 376 E C 1.958 178.612 176.600 0.089 0.000 1.000 376 E CA 1.609 57.993 56.400 -0.027 0.000 0.804 376 E CB -0.306 29.381 29.700 -0.021 0.000 0.740 376 E HN 0.537 nan 8.360 nan 0.000 0.454 377 H N 0.129 119.197 119.070 -0.003 0.000 2.321 377 H HA 0.010 4.569 4.556 0.005 0.000 0.300 377 H C 2.081 177.362 175.328 -0.079 0.000 1.087 377 H CA 1.421 57.491 56.048 0.037 0.000 1.319 377 H CB -0.279 29.511 29.762 0.047 0.000 1.379 377 H HN 0.102 nan 8.280 nan 0.000 0.501 378 R N 0.396 120.877 120.500 -0.032 0.000 2.096 378 R HA -0.111 4.232 4.340 0.005 0.000 0.235 378 R C 1.770 178.013 176.300 -0.094 0.000 1.127 378 R CA 1.382 57.392 56.100 -0.151 0.000 0.968 378 R CB -0.032 30.185 30.300 -0.139 0.000 0.861 378 R HN 0.373 nan 8.270 nan 0.000 0.440 379 D N 0.856 121.234 120.400 -0.036 0.000 2.117 379 D HA -0.159 4.484 4.640 0.005 0.000 0.197 379 D C 1.886 178.183 176.300 -0.004 0.000 0.987 379 D CA 0.885 54.873 54.000 -0.021 0.000 0.829 379 D CB -0.179 40.619 40.800 -0.003 0.000 0.961 379 D HN 0.078 nan 8.370 nan 0.000 0.460 380 L N 1.127 122.381 121.223 0.052 0.000 2.017 380 L HA -0.094 4.250 4.340 0.005 0.000 0.208 380 L C 2.179 179.125 176.870 0.127 0.000 1.073 380 L CA 1.906 56.807 54.840 0.101 0.000 0.745 380 L CB -0.770 41.408 42.059 0.199 0.000 0.894 380 L HN -0.035 nan 8.230 nan 0.000 0.432 381 A N -0.303 122.566 122.820 0.082 0.000 1.902 381 A HA -0.266 4.058 4.320 0.005 0.000 0.217 381 A C 2.540 180.105 177.584 -0.032 0.000 1.181 381 A CA 1.862 53.885 52.037 -0.023 0.000 0.623 381 A CB -0.711 17.960 19.000 -0.549 0.000 0.818 381 A HN 0.542 nan 8.150 nan 0.000 0.443 382 R N -0.210 120.248 120.500 -0.070 0.000 2.083 382 R HA -0.210 4.133 4.340 0.005 0.000 0.237 382 R C 2.255 178.505 176.300 -0.084 0.000 1.137 382 R CA 1.937 57.995 56.100 -0.070 0.000 0.951 382 R CB -0.340 29.919 30.300 -0.068 0.000 0.851 382 R HN 0.728 nan 8.270 nan 0.000 0.434 383 E N -0.262 119.883 120.200 -0.092 0.000 2.051 383 E HA -0.218 4.135 4.350 0.005 0.000 0.192 383 E C 1.778 178.325 176.600 -0.088 0.000 0.991 383 E CA 1.290 57.601 56.400 -0.149 0.000 0.799 383 E CB -0.140 29.487 29.700 -0.121 0.000 0.748 383 E HN 0.493 nan 8.360 nan 0.000 0.449 384 A N 1.339 124.155 122.820 -0.006 0.000 1.902 384 A HA -0.122 4.202 4.320 0.005 0.000 0.217 384 A C 2.425 180.039 177.584 0.050 0.000 1.181 384 A CA 1.970 54.031 52.037 0.039 0.000 0.623 384 A CB -0.845 18.224 19.000 0.115 0.000 0.818 384 A HN 0.432 nan 8.150 nan 0.000 0.443 385 A N -0.241 122.605 122.820 0.042 0.000 1.865 385 A HA -0.216 4.107 4.320 0.005 0.000 0.217 385 A C 2.308 179.912 177.584 0.032 0.000 1.191 385 A CA 1.868 53.940 52.037 0.058 0.000 0.623 385 A CB -0.613 18.404 19.000 0.028 0.000 0.826 385 A HN 0.495 nan 8.150 nan 0.000 0.444 386 R N 0.353 120.825 120.500 -0.047 0.000 2.094 386 R HA -0.169 4.174 4.340 0.005 0.000 0.239 386 R C 1.825 178.081 176.300 -0.073 0.000 1.137 386 R CA 2.129 58.163 56.100 -0.110 0.000 0.943 386 R CB -0.431 29.730 30.300 -0.232 0.000 0.850 386 R HN 0.576 nan 8.270 nan 0.000 0.433 387 K N 0.400 120.769 120.400 -0.051 0.000 2.362 387 K HA -0.049 4.274 4.320 0.005 0.000 0.200 387 K C 1.918 178.576 176.600 0.096 0.000 1.046 387 K CA 1.387 57.677 56.287 0.004 0.000 0.952 387 K CB 0.029 32.525 32.500 -0.008 0.000 0.753 387 K HN 0.332 nan 8.250 nan 0.000 0.466 388 S N 0.576 116.364 115.700 0.146 0.000 2.501 388 S HA 0.067 4.540 4.470 0.005 0.000 0.220 388 S C 0.831 175.682 174.600 0.418 0.000 0.997 388 S CA -0.304 58.062 58.200 0.278 0.000 0.919 388 S CB -0.325 63.058 63.200 0.305 0.000 0.778 388 S HN 0.086 nan 8.310 nan 0.000 0.523 389 L N 2.614 124.000 121.223 0.272 0.000 2.499 389 L HA 0.263 4.606 4.340 0.005 0.000 0.273 389 L C -0.618 176.433 176.870 0.302 0.000 1.195 389 L CA -0.412 54.578 54.840 0.251 0.000 0.882 389 L CB 0.458 42.657 42.059 0.234 0.000 1.133 389 L HN 0.065 nan 8.230 nan 0.000 0.483 390 V N 4.981 124.996 119.914 0.169 0.000 2.350 390 V HA 0.208 4.331 4.120 0.005 0.000 0.285 390 V C -0.022 176.010 176.094 -0.102 0.000 1.014 390 V CA -0.590 61.777 62.300 0.112 0.000 0.831 390 V CB 1.696 33.636 31.823 0.196 0.000 1.000 390 V HN 0.429 nan 8.190 nan 0.000 0.433 391 L N 5.887 126.988 121.223 -0.203 0.000 2.361 391 L HA 0.322 4.665 4.340 0.005 0.000 0.278 391 L C 0.676 177.336 176.870 -0.350 0.000 1.113 391 L CA 0.778 55.334 54.840 -0.474 0.000 0.849 391 L CB 0.508 42.097 42.059 -0.782 0.000 1.155 391 L HN 0.602 nan 8.230 nan 0.000 0.452 392 L N 3.808 124.806 121.223 -0.376 0.000 2.470 392 L HA 0.290 4.633 4.340 0.005 0.000 0.219 392 L C 0.587 177.324 176.870 -0.221 0.000 1.071 392 L CA 0.085 54.678 54.840 -0.412 0.000 0.850 392 L CB -0.050 41.557 42.059 -0.753 0.000 1.040 392 L HN 0.604 nan 8.230 nan 0.000 0.475 393 K N 0.121 120.391 120.400 -0.216 0.000 2.542 393 K HA 0.268 4.591 4.320 0.005 0.000 0.259 393 K C -1.337 175.159 176.600 -0.173 0.000 0.932 393 K CA -0.465 55.746 56.287 -0.126 0.000 0.820 393 K CB 1.881 34.324 32.500 -0.096 0.000 1.345 393 K HN -0.244 nan 8.250 nan 0.000 0.432 394 N N 1.721 120.342 118.700 -0.132 0.000 2.651 394 N HA 0.322 5.065 4.740 0.005 0.000 0.277 394 N C -1.820 173.636 175.510 -0.091 0.000 1.787 394 N CA 0.302 53.266 53.050 -0.144 0.000 0.818 394 N CB 1.529 39.905 38.487 -0.184 0.000 1.316 394 N HN 0.862 nan 8.380 nan 0.000 0.503 395 G N 0.844 109.601 108.800 -0.071 0.000 2.326 395 G HA2 -0.023 3.940 3.960 0.005 0.000 0.299 395 G HA3 -0.023 3.940 3.960 0.005 0.000 0.299 395 G C 0.085 174.964 174.900 -0.035 0.000 1.643 395 G CA -0.732 44.340 45.100 -0.047 0.000 0.916 395 G HN 0.164 nan 8.290 nan 0.000 0.700 396 K N -0.537 119.846 120.400 -0.028 0.000 2.288 396 K HA 0.096 4.419 4.320 0.005 0.000 0.201 396 K C 1.416 178.005 176.600 -0.018 0.000 1.048 396 K CA 1.556 57.829 56.287 -0.023 0.000 0.956 396 K CB 0.097 32.586 32.500 -0.018 0.000 0.746 396 K HN 0.888 nan 8.250 nan 0.000 0.461 397 T N -3.688 110.857 114.554 -0.015 0.000 2.868 397 T HA 0.105 4.458 4.350 0.005 0.000 0.306 397 T C 0.906 175.601 174.700 -0.009 0.000 1.224 397 T CA -0.458 61.635 62.100 -0.011 0.000 1.012 397 T CB 1.674 70.537 68.868 -0.009 0.000 1.221 397 T HN -0.018 nan 8.240 nan 0.000 0.499 398 S N 0.398 116.094 115.700 -0.006 0.000 2.465 398 S HA -0.130 4.343 4.470 0.005 0.000 0.241 398 S C 1.657 176.254 174.600 -0.005 0.000 1.000 398 S CA 1.689 59.887 58.200 -0.004 0.000 0.964 398 S CB -1.268 61.931 63.200 -0.001 0.000 0.763 398 S HN 1.163 nan 8.310 nan 0.000 0.512 399 T N -2.633 111.918 114.554 -0.005 0.000 3.040 399 T HA 0.256 4.609 4.350 0.005 0.000 0.250 399 T C -0.114 174.583 174.700 -0.005 0.000 1.058 399 T CA -0.357 61.740 62.100 -0.004 0.000 0.988 399 T CB -0.352 68.515 68.868 -0.003 0.000 0.993 399 T HN 0.168 nan 8.240 nan 0.000 0.519 400 D N 2.497 122.892 120.400 -0.008 0.000 2.399 400 D HA 0.516 5.159 4.640 0.005 0.000 0.241 400 D C 0.220 176.514 176.300 -0.011 0.000 1.133 400 D CA 0.214 54.209 54.000 -0.008 0.000 0.890 400 D CB 0.746 41.538 40.800 -0.012 0.000 1.201 400 D HN 0.514 nan 8.370 nan 0.000 0.432 401 A N 3.025 125.840 122.820 -0.008 0.000 2.440 401 A HA 0.370 4.694 4.320 0.005 0.000 0.251 401 A C -1.987 175.585 177.584 -0.020 0.000 1.089 401 A CA -1.109 50.922 52.037 -0.009 0.000 0.779 401 A CB -0.127 18.872 19.000 -0.002 0.000 1.022 401 A HN 0.429 nan 8.150 nan 0.000 0.492 402 P HA 0.002 nan 4.420 nan 0.000 0.267 402 P C 0.607 177.876 177.300 -0.051 0.000 1.205 402 P CA -0.247 62.827 63.100 -0.043 0.000 0.765 402 P CB 0.830 32.505 31.700 -0.041 0.000 0.828 403 L N 4.596 125.777 121.223 -0.071 0.000 2.093 403 L HA 0.009 4.352 4.340 0.005 0.000 0.208 403 L C 0.822 177.617 176.870 -0.125 0.000 1.085 403 L CA 1.555 56.340 54.840 -0.092 0.000 0.755 403 L CB -0.449 41.550 42.059 -0.101 0.000 0.904 403 L HN 0.302 nan 8.230 nan 0.000 0.435 404 L N 0.691 121.845 121.223 -0.115 0.000 2.325 404 L HA 0.401 4.744 4.340 0.005 0.000 0.279 404 L C -2.093 174.763 176.870 -0.022 0.000 1.054 404 L CA -2.093 52.696 54.840 -0.086 0.000 0.804 404 L CB 0.683 42.701 42.059 -0.069 0.000 1.200 404 L HN -0.052 nan 8.230 nan 0.000 0.436 405 P HA 0.257 nan 4.420 nan 0.000 0.278 405 P C -0.644 176.601 177.300 -0.092 0.000 1.238 405 P CA -0.400 62.688 63.100 -0.019 0.000 0.794 405 P CB 0.682 32.402 31.700 0.033 0.000 0.955 406 L N 3.836 124.926 121.223 -0.221 0.000 2.439 406 L HA 0.379 4.722 4.340 0.005 0.000 0.261 406 L C -2.021 174.874 176.870 0.043 0.000 1.153 406 L CA -1.942 52.709 54.840 -0.316 0.000 0.808 406 L CB 0.128 41.703 42.059 -0.806 0.000 1.126 406 L HN 0.235 nan 8.230 nan 0.000 0.460 407 P HA 0.192 nan 4.420 nan 0.000 0.284 407 P C -0.518 177.008 177.300 0.375 0.000 1.253 407 P CA -0.486 62.760 63.100 0.242 0.000 0.800 407 P CB 0.782 32.613 31.700 0.218 0.000 0.961 408 K N 1.131 121.659 120.400 0.214 0.000 2.366 408 K HA -0.031 4.292 4.320 0.005 0.000 0.198 408 K C 0.724 177.353 176.600 0.048 0.000 1.044 408 K CA 0.833 57.131 56.287 0.018 0.000 0.973 408 K CB 0.141 32.570 32.500 -0.119 0.000 0.767 408 K HN 0.333 nan 8.250 nan 0.000 0.475 409 K N 1.102 121.561 120.400 0.099 0.000 2.367 409 K HA 0.412 4.735 4.320 0.005 0.000 0.263 409 K C -1.629 175.040 176.600 0.114 0.000 1.000 409 K CA -0.358 55.974 56.287 0.075 0.000 0.891 409 K CB 1.371 33.899 32.500 0.046 0.000 1.117 409 K HN -0.011 nan 8.250 nan 0.000 0.443 410 A N 5.022 127.897 122.820 0.092 0.000 2.574 410 A HA 0.461 4.784 4.320 0.005 0.000 0.297 410 A C -2.552 175.044 177.584 0.019 0.000 1.062 410 A CA -1.375 50.704 52.037 0.071 0.000 0.686 410 A CB 1.457 20.498 19.000 0.069 0.000 1.285 410 A HN 0.541 nan 8.150 nan 0.000 0.403 411 P HA -0.082 nan 4.420 nan 0.000 0.215 411 P C 0.111 177.404 177.300 -0.012 0.000 1.153 411 P CA 1.487 64.583 63.100 -0.007 0.000 0.853 411 P CB 0.254 31.944 31.700 -0.018 0.000 0.788 412 K N -0.417 119.973 120.400 -0.016 0.000 2.561 412 K HA 0.442 4.765 4.320 0.005 0.000 0.254 412 K C -1.434 175.217 176.600 0.084 0.000 0.942 412 K CA -0.764 55.545 56.287 0.037 0.000 0.818 412 K CB 1.199 33.689 32.500 -0.017 0.000 1.306 412 K HN -0.072 nan 8.250 nan 0.000 0.435 413 I N 0.961 121.593 120.570 0.104 0.000 2.828 413 I HA 0.587 4.760 4.170 0.005 0.000 0.302 413 I C -1.701 174.356 176.117 -0.099 0.000 1.101 413 I CA -1.343 59.907 61.300 -0.083 0.000 1.031 413 I CB 1.916 39.698 38.000 -0.363 0.000 1.231 413 I HN 0.481 nan 8.210 nan 0.000 0.427 414 L N 5.398 126.345 121.223 -0.459 0.000 2.307 414 L HA 0.688 5.032 4.340 0.005 0.000 0.284 414 L C -1.081 175.680 176.870 -0.183 0.000 1.023 414 L CA -0.379 54.086 54.840 -0.625 0.000 0.810 414 L CB 1.708 42.965 42.059 -1.336 0.000 1.231 414 L HN 0.537 nan 8.230 nan 0.000 0.423 415 V N 5.356 125.255 119.914 -0.026 0.000 2.409 415 V HA 0.944 5.067 4.120 0.005 0.000 0.291 415 V C 0.049 176.214 176.094 0.119 0.000 1.020 415 V CA 0.058 62.434 62.300 0.126 0.000 0.848 415 V CB 0.856 32.828 31.823 0.249 0.000 0.990 415 V HN 1.047 nan 8.190 nan 0.000 0.430 416 A N 3.467 126.328 122.820 0.068 0.000 2.583 416 A HA 1.071 5.394 4.320 0.005 0.000 0.289 416 A C -0.068 177.560 177.584 0.074 0.000 1.151 416 A CA -0.282 51.738 52.037 -0.029 0.000 0.695 416 A CB 1.876 20.799 19.000 -0.128 0.000 1.290 416 A HN 2.194 nan 8.150 nan 0.000 0.419 417 G N -1.141 107.685 108.800 0.042 0.000 2.539 417 G HA2 0.370 4.333 3.960 0.005 0.000 0.686 417 G HA3 0.370 4.333 3.960 0.005 0.000 0.686 417 G C 0.518 175.550 174.900 0.220 0.000 1.258 417 G CA 0.461 45.637 45.100 0.126 0.000 0.846 417 G HN 2.096 nan 8.290 nan 0.000 0.647 418 S N -0.582 115.288 115.700 0.283 0.000 2.447 418 S HA -0.091 4.383 4.470 0.005 0.000 0.233 418 S C 1.419 176.233 174.600 0.357 0.000 1.006 418 S CA 2.079 60.482 58.200 0.338 0.000 0.957 418 S CB -0.152 63.316 63.200 0.447 0.000 0.773 418 S HN 0.832 nan 8.310 nan 0.000 0.507 419 H N 0.470 119.687 119.070 0.245 0.000 2.652 419 H HA 0.628 5.188 4.556 0.005 0.000 0.274 419 H C 1.929 177.350 175.328 0.155 0.000 1.021 419 H CA 0.006 56.198 56.048 0.240 0.000 1.187 419 H CB -0.130 29.766 29.762 0.223 0.000 1.505 419 H HN 0.495 nan 8.280 nan 0.000 0.530 420 A N 0.170 123.158 122.820 0.279 0.000 1.969 420 A HA -0.104 4.219 4.320 0.005 0.000 0.218 420 A C 0.712 178.340 177.584 0.075 0.000 1.169 420 A CA 1.771 53.940 52.037 0.219 0.000 0.635 420 A CB 0.121 19.334 19.000 0.355 0.000 0.810 420 A HN 0.316 nan 8.150 nan 0.000 0.445 421 D N -0.966 119.436 120.400 0.004 0.000 2.879 421 D HA 0.173 4.816 4.640 0.005 0.000 0.351 421 D C -1.070 175.137 176.300 -0.155 0.000 1.239 421 D CA -0.320 53.573 54.000 -0.180 0.000 0.771 421 D CB -0.164 40.313 40.800 -0.539 0.000 1.176 421 D HN 0.113 nan 8.370 nan 0.000 0.496 422 N N 2.451 121.075 118.700 -0.125 0.000 2.640 422 N HA 0.060 4.803 4.740 0.005 0.000 0.262 422 N C 0.470 175.897 175.510 -0.139 0.000 1.174 422 N CA -0.437 52.472 53.050 -0.235 0.000 0.791 422 N CB 1.059 39.247 38.487 -0.499 0.000 1.279 422 N HN 0.196 nan 8.380 nan 0.000 0.535 423 L N 3.567 124.722 121.223 -0.112 0.000 2.081 423 L HA 0.068 4.411 4.340 0.005 0.000 0.212 423 L C 1.969 178.822 176.870 -0.028 0.000 1.080 423 L CA 2.388 57.192 54.840 -0.060 0.000 0.754 423 L CB -0.639 41.379 42.059 -0.067 0.000 0.893 423 L HN 0.631 nan 8.230 nan 0.000 0.433 424 G N -1.846 106.922 108.800 -0.052 0.000 2.404 424 G HA2 -0.295 3.668 3.960 0.005 0.000 0.215 424 G HA3 -0.295 3.668 3.960 0.005 0.000 0.215 424 G C 1.403 176.382 174.900 0.132 0.000 1.174 424 G CA 0.774 45.884 45.100 0.018 0.000 0.780 424 G HN 0.382 nan 8.290 nan 0.000 0.537 425 Y N 0.810 121.051 120.300 -0.098 0.000 2.165 425 Y HA -0.151 4.402 4.550 0.005 0.000 0.286 425 Y C 2.901 178.812 175.900 0.017 0.000 1.155 425 Y CA 1.077 59.118 58.100 -0.099 0.000 1.164 425 Y CB -0.998 37.262 38.460 -0.333 0.000 0.978 425 Y HN 0.355 nan 8.280 nan 0.000 0.513 426 Q N -0.946 118.973 119.800 0.199 0.000 2.291 426 Q HA -0.158 4.185 4.340 0.005 0.000 0.206 426 Q C 1.850 177.915 176.000 0.108 0.000 0.976 426 Q CA 1.609 57.502 55.803 0.150 0.000 0.875 426 Q CB -0.106 28.689 28.738 0.095 0.000 0.927 426 Q HN 0.492 nan 8.270 nan 0.000 0.450 427 C N -0.577 118.779 119.300 0.093 0.000 2.611 427 C HA 0.389 4.852 4.460 0.005 0.000 0.282 427 C C 1.331 176.410 174.990 0.148 0.000 1.321 427 C CA 0.173 59.255 59.018 0.108 0.000 1.747 427 C CB -0.712 27.076 27.740 0.079 0.000 2.124 427 C HN 0.823 nan 8.230 nan 0.000 0.531 428 G N 0.453 109.284 108.800 0.051 0.000 2.645 428 G HA2 0.110 4.073 3.960 0.005 0.000 0.246 428 G HA3 0.110 4.073 3.960 0.005 0.000 0.246 428 G C 0.198 175.037 174.900 -0.102 0.000 1.322 428 G CA -0.409 44.610 45.100 -0.135 0.000 0.898 428 G HN 0.920 nan 8.290 nan 0.000 0.573 429 G N -2.466 106.105 108.800 -0.382 0.000 2.720 429 G HA2 0.404 4.367 3.960 0.005 0.000 0.237 429 G HA3 0.404 4.367 3.960 0.005 0.000 0.237 429 G C 0.514 175.519 174.900 0.175 0.000 1.239 429 G CA 0.892 45.851 45.100 -0.235 0.000 0.847 429 G HN 1.844 nan 8.290 nan 0.000 0.593 430 W N -1.443 119.915 121.300 0.096 0.000 5.721 430 W HA -0.168 4.496 4.660 0.006 0.000 0.406 430 W C 0.267 177.003 176.519 0.362 0.000 1.576 430 W CA 0.592 58.080 57.345 0.237 0.000 0.977 430 W CB -1.955 27.656 29.460 0.251 0.000 2.771 430 W HN 0.632 nan 8.180 nan 0.000 1.435 431 T N 0.786 115.578 114.554 0.398 0.000 3.186 431 T HA 0.407 4.760 4.350 0.005 0.000 0.320 431 T C 0.707 175.530 174.700 0.205 0.000 0.955 431 T CA -0.281 62.001 62.100 0.302 0.000 1.030 431 T CB 1.569 70.577 68.868 0.234 0.000 1.013 431 T HN 0.099 nan 8.240 nan 0.000 0.454 432 I N -0.497 120.201 120.570 0.213 0.000 4.624 432 I HA -0.250 3.923 4.170 0.005 0.000 0.049 432 I C 0.736 176.989 176.117 0.227 0.000 0.621 432 I CA 1.679 63.105 61.300 0.210 0.000 0.836 432 I CB -1.383 36.720 38.000 0.171 0.000 0.765 432 I HN 0.528 nan 8.210 nan 0.000 0.159 433 E N 0.032 120.344 120.200 0.186 0.000 2.254 433 E HA 0.091 4.444 4.350 0.005 0.000 0.261 433 E C 0.570 177.284 176.600 0.190 0.000 1.051 433 E CA -0.288 56.218 56.400 0.177 0.000 0.902 433 E CB 0.659 30.428 29.700 0.115 0.000 1.168 433 E HN 0.404 nan 8.360 nan 0.000 0.423 434 W N 1.635 122.898 121.300 -0.062 0.000 2.378 434 W HA -0.123 4.540 4.660 0.005 0.000 0.313 434 W C 1.353 177.627 176.519 -0.407 0.000 1.197 434 W CA 1.355 58.534 57.345 -0.277 0.000 1.304 434 W CB 0.067 29.341 29.460 -0.309 0.000 1.148 434 W HN 0.338 nan 8.180 nan 0.000 0.494 435 Q N 1.007 120.571 119.800 -0.392 0.000 2.415 435 Q HA 0.235 4.578 4.340 0.005 0.000 0.206 435 Q C 1.001 176.834 176.000 -0.279 0.000 0.946 435 Q CA 1.118 56.589 55.803 -0.553 0.000 0.951 435 Q CB -0.540 27.968 28.738 -0.383 0.000 1.026 435 Q HN 0.393 nan 8.270 nan 0.000 0.510 436 G N 1.081 109.796 108.800 -0.141 0.000 2.760 436 G HA2 -0.172 3.791 3.960 0.005 0.000 0.246 436 G HA3 -0.172 3.791 3.960 0.005 0.000 0.246 436 G C -0.863 174.038 174.900 0.002 0.000 1.359 436 G CA -0.121 44.959 45.100 -0.035 0.000 0.861 436 G HN 0.286 nan 8.290 nan 0.000 0.541 437 D N -2.220 118.202 120.400 0.037 0.000 2.665 437 D HA 0.666 5.309 4.640 0.005 0.000 0.287 437 D C -0.314 176.018 176.300 0.053 0.000 1.266 437 D CA 0.523 54.548 54.000 0.042 0.000 0.830 437 D CB 1.777 42.602 40.800 0.041 0.000 1.356 437 D HN 0.691 nan 8.370 nan 0.000 0.437 438 T N -0.400 114.157 114.554 0.004 0.000 2.902 438 T HA 0.669 5.022 4.350 0.005 0.000 0.283 438 T C 0.398 174.988 174.700 -0.183 0.000 1.009 438 T CA 1.158 63.173 62.100 -0.142 0.000 1.051 438 T CB 0.491 69.249 68.868 -0.184 0.000 0.999 438 T HN 0.801 nan 8.240 nan 0.000 0.474 439 G N 2.945 111.570 108.800 -0.292 0.000 2.587 439 G HA2 -0.161 3.802 3.960 0.005 0.000 0.212 439 G HA3 -0.161 3.802 3.960 0.005 0.000 0.212 439 G C -0.352 174.478 174.900 -0.117 0.000 1.327 439 G CA -0.148 44.836 45.100 -0.194 0.000 0.898 439 G HN 0.928 nan 8.290 nan 0.000 0.551 440 R N 0.622 121.077 120.500 -0.076 0.000 3.266 440 R HA 0.467 4.810 4.340 0.005 0.000 0.224 440 R C 1.805 178.115 176.300 0.016 0.000 1.525 440 R CA 0.817 56.894 56.100 -0.038 0.000 1.364 440 R CB -0.537 29.743 30.300 -0.033 0.000 1.276 440 R HN 0.834 nan 8.270 nan 0.000 0.660 441 T N -1.636 112.932 114.554 0.022 0.000 3.129 441 T HA 0.061 4.414 4.350 0.005 0.000 0.251 441 T C 0.728 175.511 174.700 0.139 0.000 1.117 441 T CA 0.485 62.636 62.100 0.084 0.000 1.034 441 T CB 0.327 69.235 68.868 0.067 0.000 0.968 441 T HN 0.400 nan 8.240 nan 0.000 0.526 442 T N -0.310 114.268 114.554 0.039 0.000 2.661 442 T HA 0.447 4.801 4.350 0.005 0.000 0.305 442 T C -1.810 172.764 174.700 -0.211 0.000 1.535 442 T CA -0.528 61.471 62.100 -0.168 0.000 1.000 442 T CB 1.089 69.814 68.868 -0.239 0.000 1.811 442 T HN -0.047 nan 8.240 nan 0.000 0.471 443 V N 1.858 121.548 119.914 -0.373 0.000 2.461 443 V HA 0.748 4.871 4.120 0.005 0.000 0.275 443 V C 1.057 177.042 176.094 -0.181 0.000 1.047 443 V CA 0.820 62.981 62.300 -0.232 0.000 0.955 443 V CB 0.290 31.961 31.823 -0.254 0.000 0.988 443 V HN 1.217 nan 8.190 nan 0.000 0.471 444 G N 3.519 112.243 108.800 -0.126 0.000 2.341 444 G HA2 0.532 4.496 3.960 0.005 0.000 0.299 444 G HA3 0.532 4.496 3.960 0.005 0.000 0.299 444 G C -1.077 173.772 174.900 -0.085 0.000 1.274 444 G CA -0.424 44.607 45.100 -0.115 0.000 0.853 444 G HN 0.486 nan 8.290 nan 0.000 0.493 445 T N 1.163 115.672 114.554 -0.074 0.000 2.890 445 T HA 0.613 4.966 4.350 0.005 0.000 0.295 445 T C 0.502 175.175 174.700 -0.045 0.000 0.993 445 T CA 0.059 62.125 62.100 -0.056 0.000 0.979 445 T CB 1.150 69.992 68.868 -0.044 0.000 0.967 445 T HN 1.031 nan 8.240 nan 0.000 0.441 446 T N 0.743 115.266 114.554 -0.051 0.000 2.754 446 T HA 0.437 4.791 4.350 0.005 0.000 0.286 446 T C 1.717 176.409 174.700 -0.013 0.000 0.997 446 T CA -0.747 61.329 62.100 -0.041 0.000 0.982 446 T CB 0.433 69.252 68.868 -0.081 0.000 1.027 446 T HN 0.439 nan 8.240 nan 0.000 0.529 447 I N 0.361 120.940 120.570 0.016 0.000 2.226 447 I HA -0.097 4.076 4.170 0.005 0.000 0.245 447 I C 2.381 178.527 176.117 0.048 0.000 1.100 447 I CA 1.047 62.378 61.300 0.052 0.000 1.374 447 I CB -0.478 37.572 38.000 0.083 0.000 1.057 447 I HN 0.536 nan 8.210 nan 0.000 0.413 448 L N 1.050 122.269 121.223 -0.007 0.000 2.017 448 L HA -0.225 4.118 4.340 0.005 0.000 0.208 448 L C 2.335 179.188 176.870 -0.028 0.000 1.073 448 L CA 1.938 56.756 54.840 -0.036 0.000 0.745 448 L CB -0.706 41.209 42.059 -0.240 0.000 0.894 448 L HN 0.200 nan 8.230 nan 0.000 0.432 449 E N -0.266 119.900 120.200 -0.057 0.000 2.085 449 E HA -0.235 4.118 4.350 0.005 0.000 0.194 449 E C 2.166 178.763 176.600 -0.006 0.000 0.994 449 E CA 1.245 57.620 56.400 -0.042 0.000 0.801 449 E CB -0.392 29.275 29.700 -0.055 0.000 0.743 449 E HN 0.674 nan 8.360 nan 0.000 0.453 450 A N 0.935 123.765 122.820 0.016 0.000 1.933 450 A HA -0.144 4.179 4.320 0.005 0.000 0.218 450 A C 2.497 180.126 177.584 0.076 0.000 1.175 450 A CA 1.135 53.198 52.037 0.044 0.000 0.628 450 A CB -0.592 18.446 19.000 0.065 0.000 0.814 450 A HN 0.114 nan 8.150 nan 0.000 0.444 451 V N 0.194 120.178 119.914 0.117 0.000 2.261 451 V HA -0.279 3.844 4.120 0.005 0.000 0.246 451 V C 2.433 178.550 176.094 0.038 0.000 1.047 451 V CA 2.365 64.767 62.300 0.170 0.000 1.015 451 V CB -0.668 31.296 31.823 0.235 0.000 0.642 451 V HN 0.551 nan 8.190 nan 0.000 0.446 452 K N 0.359 120.776 120.400 0.029 0.000 2.152 452 K HA -0.116 4.207 4.320 0.005 0.000 0.206 452 K C 2.017 178.598 176.600 -0.031 0.000 1.048 452 K CA 1.477 57.763 56.287 -0.001 0.000 0.933 452 K CB -0.351 32.149 32.500 -0.001 0.000 0.721 452 K HN 0.485 nan 8.250 nan 0.000 0.447 453 A N 0.409 123.212 122.820 -0.028 0.000 2.235 453 A HA 0.156 4.480 4.320 0.005 0.000 0.208 453 A C 1.868 179.412 177.584 -0.066 0.000 1.172 453 A CA 1.172 53.187 52.037 -0.037 0.000 0.786 453 A CB -0.141 18.846 19.000 -0.021 0.000 0.804 453 A HN 0.305 nan 8.150 nan 0.000 0.479 454 A N -0.444 122.303 122.820 -0.120 0.000 2.026 454 A HA 0.433 4.756 4.320 0.005 0.000 0.201 454 A C 1.136 178.523 177.584 -0.328 0.000 1.318 454 A CA 0.676 52.578 52.037 -0.224 0.000 0.857 454 A CB -0.836 17.984 19.000 -0.301 0.000 0.939 454 A HN 0.893 nan 8.150 nan 0.000 0.476 455 V N -0.187 119.520 119.914 -0.346 0.000 3.139 455 V HA 0.162 4.285 4.120 0.005 0.000 0.307 455 V C 0.224 176.234 176.094 -0.140 0.000 1.095 455 V CA -0.603 61.530 62.300 -0.278 0.000 1.160 455 V CB 0.191 31.921 31.823 -0.154 0.000 1.003 455 V HN 0.457 nan 8.190 nan 0.000 0.489 456 D N 2.954 123.298 120.400 -0.093 0.000 2.399 456 D HA 0.143 4.786 4.640 0.005 0.000 0.241 456 D C -1.638 174.642 176.300 -0.034 0.000 1.133 456 D CA -1.218 52.752 54.000 -0.051 0.000 0.890 456 D CB 1.740 42.526 40.800 -0.024 0.000 1.201 456 D HN 0.418 nan 8.370 nan 0.000 0.432 457 P HA -0.194 nan 4.420 nan 0.000 0.217 457 P C 1.375 178.669 177.300 -0.009 0.000 1.148 457 P CA 1.642 64.731 63.100 -0.017 0.000 0.834 457 P CB 0.067 31.759 31.700 -0.014 0.000 0.783 458 S N -2.755 112.941 115.700 -0.006 0.000 2.436 458 S HA -0.031 4.442 4.470 0.005 0.000 0.228 458 S C 0.996 175.598 174.600 0.003 0.000 1.014 458 S CA 0.626 58.825 58.200 -0.001 0.000 0.950 458 S CB -1.632 61.569 63.200 0.001 0.000 0.784 458 S HN 0.038 nan 8.310 nan 0.000 0.504 459 T N 3.692 118.248 114.554 0.004 0.000 2.765 459 T HA 0.287 4.640 4.350 0.005 0.000 0.284 459 T C -0.159 174.552 174.700 0.018 0.000 0.946 459 T CA -0.123 61.984 62.100 0.011 0.000 1.185 459 T CB 0.369 69.245 68.868 0.014 0.000 0.887 459 T HN 0.146 nan 8.240 nan 0.000 0.532 460 V N 5.404 125.333 119.914 0.025 0.000 2.488 460 V HA 0.185 4.309 4.120 0.005 0.000 0.277 460 V C 0.410 176.548 176.094 0.073 0.000 1.046 460 V CA -0.464 61.862 62.300 0.044 0.000 0.986 460 V CB 1.165 33.012 31.823 0.041 0.000 0.989 460 V HN 0.617 nan 8.190 nan 0.000 0.475 461 V N 6.283 126.247 119.914 0.084 0.000 2.357 461 V HA 0.412 4.535 4.120 0.005 0.000 0.284 461 V C -0.063 176.123 176.094 0.153 0.000 1.018 461 V CA -0.478 61.888 62.300 0.110 0.000 0.841 461 V CB 1.716 33.595 31.823 0.093 0.000 0.991 461 V HN 0.609 nan 8.190 nan 0.000 0.437 462 V N 5.559 125.590 119.914 0.195 0.000 2.483 462 V HA 0.515 4.638 4.120 0.005 0.000 0.295 462 V C -0.598 175.639 176.094 0.239 0.000 1.035 462 V CA -0.617 61.833 62.300 0.249 0.000 0.896 462 V CB 1.785 33.842 31.823 0.391 0.000 0.986 462 V HN 0.702 nan 8.190 nan 0.000 0.447 463 F N 3.729 123.734 119.950 0.092 0.000 2.495 463 F HA 0.828 5.358 4.527 0.006 0.000 0.327 463 F C -0.031 175.781 175.800 0.020 0.000 1.103 463 F CA -0.860 57.164 58.000 0.040 0.000 0.949 463 F CB 1.587 40.603 39.000 0.026 0.000 1.142 463 F HN 0.556 nan 8.300 nan 0.000 0.457 464 A N 5.507 127.726 122.820 -1.001 0.000 2.547 464 A HA 0.310 4.634 4.320 0.005 0.000 0.279 464 A C 0.531 177.526 177.584 -0.982 0.000 1.088 464 A CA -0.400 51.108 52.037 -0.883 0.000 0.796 464 A CB 0.706 19.308 19.000 -0.664 0.000 1.308 464 A HN 0.960 nan 8.150 nan 0.000 0.415 465 E N 2.075 121.689 120.200 -0.977 0.000 2.097 465 E HA -0.167 4.187 4.350 0.005 0.000 0.196 465 E C 0.249 176.696 176.600 -0.255 0.000 1.000 465 E CA 1.324 57.436 56.400 -0.479 0.000 0.804 465 E CB 0.052 29.655 29.700 -0.162 0.000 0.740 465 E HN 0.630 nan 8.360 nan 0.000 0.454 466 N N 0.636 119.179 118.700 -0.263 0.000 2.687 466 N HA 0.166 4.910 4.740 0.005 0.000 0.275 466 N C -2.696 172.687 175.510 -0.212 0.000 1.789 466 N CA -0.776 52.172 53.050 -0.170 0.000 0.806 466 N CB 1.379 39.811 38.487 -0.091 0.000 1.256 466 N HN 0.153 nan 8.380 nan 0.000 0.500 467 P HA 0.115 nan 4.420 nan 0.000 0.269 467 P C -0.521 176.724 177.300 -0.090 0.000 1.209 467 P CA 0.045 62.945 63.100 -0.334 0.000 0.776 467 P CB 0.999 32.464 31.700 -0.391 0.000 0.876 468 D N 0.323 120.715 120.400 -0.014 0.000 2.388 468 D HA 0.340 4.983 4.640 0.005 0.000 0.254 468 D C 1.379 177.753 176.300 0.124 0.000 1.111 468 D CA -0.718 53.312 54.000 0.050 0.000 0.993 468 D CB 0.211 41.038 40.800 0.045 0.000 1.118 468 D HN 0.288 nan 8.370 nan 0.000 0.502 469 A N 0.185 123.059 122.820 0.091 0.000 1.903 469 A HA -0.333 3.990 4.320 0.005 0.000 0.219 469 A C 1.977 179.632 177.584 0.119 0.000 1.191 469 A CA 2.248 54.343 52.037 0.096 0.000 0.638 469 A CB -1.136 17.901 19.000 0.062 0.000 0.823 469 A HN 0.835 nan 8.150 nan 0.000 0.451 470 E N -1.529 118.738 120.200 0.112 0.000 2.110 470 E HA -0.211 4.143 4.350 0.005 0.000 0.193 470 E C 1.795 178.475 176.600 0.132 0.000 0.988 470 E CA 1.297 57.756 56.400 0.099 0.000 0.804 470 E CB -0.276 29.471 29.700 0.080 0.000 0.745 470 E HN 0.633 nan 8.360 nan 0.000 0.458 471 F N 0.873 120.852 119.950 0.047 0.000 2.126 471 F HA -0.220 4.310 4.527 0.005 0.000 0.299 471 F C 1.955 177.845 175.800 0.150 0.000 1.096 471 F CA 1.513 59.558 58.000 0.074 0.000 1.255 471 F CB -0.239 38.801 39.000 0.067 0.000 0.997 471 F HN -0.101 nan 8.300 nan 0.000 0.479 472 V N 0.644 120.775 119.914 0.360 0.000 2.307 472 V HA -0.283 3.841 4.120 0.005 0.000 0.245 472 V C 2.299 178.499 176.094 0.177 0.000 1.045 472 V CA 2.188 64.702 62.300 0.355 0.000 1.024 472 V CB -0.777 31.212 31.823 0.278 0.000 0.651 472 V HN 0.257 nan 8.190 nan 0.000 0.449 473 K N 0.274 120.729 120.400 0.091 0.000 2.280 473 K HA -0.081 4.242 4.320 0.005 0.000 0.202 473 K C 2.084 178.649 176.600 -0.058 0.000 1.047 473 K CA 1.551 57.854 56.287 0.026 0.000 0.942 473 K CB -0.150 32.366 32.500 0.027 0.000 0.739 473 K HN 0.414 nan 8.250 nan 0.000 0.457 474 S N -0.274 115.355 115.700 -0.118 0.000 2.517 474 S HA 0.037 4.511 4.470 0.005 0.000 0.214 474 S C 1.680 176.060 174.600 -0.367 0.000 0.991 474 S CA 0.258 58.341 58.200 -0.195 0.000 0.906 474 S CB 0.833 63.939 63.200 -0.158 0.000 0.789 474 S HN 0.473 nan 8.310 nan 0.000 0.513 475 G N 1.273 109.736 108.800 -0.561 0.000 2.598 475 G HA2 0.309 4.272 3.960 0.005 0.000 0.215 475 G HA3 0.309 4.272 3.960 0.005 0.000 0.215 475 G C 1.028 175.240 174.900 -1.148 0.000 1.131 475 G CA 0.220 44.665 45.100 -1.091 0.000 0.785 475 G HN 0.755 nan 8.290 nan 0.000 0.539 476 G N -0.487 107.917 108.800 -0.660 0.000 2.295 476 G HA2 -0.259 3.705 3.960 0.005 0.000 0.287 476 G HA3 -0.259 3.705 3.960 0.005 0.000 0.287 476 G C -0.011 174.643 174.900 -0.410 0.000 1.055 476 G CA -0.110 44.737 45.100 -0.421 0.000 0.922 476 G HN 0.272 nan 8.290 nan 0.000 0.503 477 F N 0.025 119.922 119.950 -0.088 0.000 2.375 477 F HA 0.539 5.070 4.527 0.005 0.000 0.333 477 F C 1.638 177.386 175.800 -0.086 0.000 1.104 477 F CA -0.219 57.721 58.000 -0.100 0.000 1.149 477 F CB 1.541 40.493 39.000 -0.080 0.000 1.190 477 F HN 0.017 nan 8.300 nan 0.000 0.533 478 S N 0.518 116.248 115.700 0.050 0.000 2.425 478 S HA 0.064 4.537 4.470 0.005 0.000 0.225 478 S C -0.784 173.911 174.600 0.158 0.000 1.024 478 S CA 0.639 58.864 58.200 0.042 0.000 0.951 478 S CB -0.207 62.982 63.200 -0.018 0.000 0.796 478 S HN 0.641 nan 8.310 nan 0.000 0.498 479 Y N -1.803 118.582 120.300 0.142 0.000 2.779 479 Y HA 0.750 5.303 4.550 0.005 0.000 0.340 479 Y C -1.299 174.622 175.900 0.035 0.000 1.252 479 Y CA -2.015 56.133 58.100 0.080 0.000 1.072 479 Y CB 0.456 38.949 38.460 0.056 0.000 1.343 479 Y HN -0.056 nan 8.280 nan 0.000 0.450 480 A N 1.111 124.104 122.820 0.289 0.000 2.475 480 A HA 0.831 5.154 4.320 0.005 0.000 0.301 480 A C -1.826 175.846 177.584 0.147 0.000 1.059 480 A CA -0.826 51.279 52.037 0.113 0.000 0.710 480 A CB 1.291 20.268 19.000 -0.038 0.000 1.288 480 A HN 0.735 nan 8.150 nan 0.000 0.408 481 I N 2.058 122.697 120.570 0.115 0.000 2.382 481 I HA 0.430 4.603 4.170 0.005 0.000 0.286 481 I C -0.935 175.219 176.117 0.061 0.000 1.002 481 I CA -0.750 60.599 61.300 0.082 0.000 1.135 481 I CB 1.809 39.874 38.000 0.109 0.000 1.288 481 I HN 0.316 nan 8.210 nan 0.000 0.448 482 V N 5.679 125.614 119.914 0.036 0.000 2.448 482 V HA 0.693 4.816 4.120 0.005 0.000 0.295 482 V C 0.086 176.205 176.094 0.042 0.000 1.025 482 V CA -0.562 61.761 62.300 0.039 0.000 0.859 482 V CB 1.634 33.465 31.823 0.014 0.000 0.988 482 V HN 0.790 nan 8.190 nan 0.000 0.431 483 A N 5.131 128.001 122.820 0.084 0.000 2.318 483 A HA 0.954 5.277 4.320 0.005 0.000 0.317 483 A C -0.521 177.118 177.584 0.092 0.000 1.159 483 A CA -0.475 51.613 52.037 0.086 0.000 0.799 483 A CB 1.491 20.581 19.000 0.149 0.000 1.194 483 A HN 1.437 nan 8.150 nan 0.000 0.479 484 V N -0.464 119.403 119.914 -0.078 0.000 3.202 484 V HA 1.072 5.195 4.120 0.005 0.000 0.306 484 V C 0.136 175.827 176.094 -0.671 0.000 1.283 484 V CA -0.067 62.084 62.300 -0.248 0.000 1.065 484 V CB 1.169 32.949 31.823 -0.071 0.000 1.079 484 V HN 2.365 nan 8.190 nan 0.000 0.448 485 G N 0.102 108.413 108.800 -0.816 0.000 2.351 485 G HA2 0.309 4.272 3.960 0.005 0.000 0.279 485 G HA3 0.309 4.272 3.960 0.005 0.000 0.279 485 G C -1.199 173.576 174.900 -0.208 0.000 1.297 485 G CA -0.428 44.360 45.100 -0.519 0.000 0.886 485 G HN 0.972 nan 8.290 nan 0.000 0.493 486 E N -0.320 119.859 120.200 -0.035 0.000 2.391 486 E HA 0.371 4.725 4.350 0.005 0.000 0.255 486 E C -0.233 176.439 176.600 0.121 0.000 1.187 486 E CA -0.093 56.330 56.400 0.038 0.000 0.941 486 E CB 0.506 30.305 29.700 0.164 0.000 1.010 486 E HN 0.490 nan 8.360 nan 0.000 0.458 487 H N -0.016 119.010 119.070 -0.074 0.000 2.525 487 H HA 0.254 4.813 4.556 0.005 0.000 0.340 487 H C -2.086 173.151 175.328 -0.152 0.000 1.168 487 H CA -2.574 53.285 56.048 -0.316 0.000 1.247 487 H CB 1.122 30.730 29.762 -0.256 0.000 1.568 487 H HN 0.259 nan 8.280 nan 0.000 0.536 488 P HA -0.044 nan 4.420 nan 0.000 0.266 488 P C -1.391 175.848 177.300 -0.102 0.000 1.195 488 P CA 0.602 63.597 63.100 -0.174 0.000 0.768 488 P CB 0.224 31.878 31.700 -0.077 0.000 0.838 489 Y N -1.480 118.707 120.300 -0.187 0.000 2.624 489 Y HA 0.789 5.342 4.550 0.006 0.000 0.334 489 Y C -1.252 174.485 175.900 -0.271 0.000 1.155 489 Y CA -1.091 56.874 58.100 -0.225 0.000 1.046 489 Y CB 0.530 38.904 38.460 -0.144 0.000 1.316 489 Y HN 0.216 nan 8.280 nan 0.000 0.457 490 T N 1.661 116.084 114.554 -0.218 0.000 2.993 490 T HA 0.466 4.819 4.350 0.005 0.000 0.312 490 T C -0.854 173.590 174.700 -0.427 0.000 1.115 490 T CA -0.396 61.428 62.100 -0.460 0.000 1.027 490 T CB 2.312 70.433 68.868 -1.246 0.000 1.116 490 T HN 0.938 nan 8.240 nan 0.000 0.464 491 E N 0.461 120.522 120.200 -0.233 0.000 3.374 491 E HA -0.280 4.073 4.350 0.005 0.000 0.319 491 E C 1.075 177.614 176.600 -0.102 0.000 1.492 491 E CA 1.388 57.723 56.400 -0.109 0.000 1.899 491 E CB -1.287 28.470 29.700 0.095 0.000 1.894 491 E HN 0.711 nan 8.360 nan 0.000 0.484 492 T N 0.911 115.453 114.554 -0.020 0.000 2.778 492 T HA -0.170 4.183 4.350 0.005 0.000 0.269 492 T C 1.404 176.058 174.700 -0.077 0.000 1.050 492 T CA 1.522 63.612 62.100 -0.017 0.000 1.137 492 T CB -0.113 68.767 68.868 0.020 0.000 0.860 492 T HN 0.169 nan 8.240 nan 0.000 0.468 493 K N 0.769 121.092 120.400 -0.129 0.000 2.360 493 K HA 0.030 4.354 4.320 0.005 0.000 0.201 493 K C 2.233 178.723 176.600 -0.184 0.000 1.046 493 K CA 0.762 56.965 56.287 -0.141 0.000 0.945 493 K CB -0.456 31.931 32.500 -0.188 0.000 0.750 493 K HN 0.484 nan 8.250 nan 0.000 0.464 494 G N 0.565 109.231 108.800 -0.225 0.000 2.986 494 G HA2 -0.058 3.905 3.960 0.005 0.000 0.213 494 G HA3 -0.058 3.905 3.960 0.005 0.000 0.213 494 G C -0.027 174.605 174.900 -0.447 0.000 1.156 494 G CA -0.276 44.502 45.100 -0.537 0.000 0.763 494 G HN 0.139 nan 8.290 nan 0.000 0.547 495 D N 1.162 121.437 120.400 -0.207 0.000 2.458 495 D HA 0.156 4.799 4.640 0.005 0.000 0.243 495 D C -0.224 175.990 176.300 -0.144 0.000 1.146 495 D CA 0.561 54.497 54.000 -0.106 0.000 0.877 495 D CB 0.856 41.644 40.800 -0.019 0.000 1.176 495 D HN 0.100 nan 8.370 nan 0.000 0.461 496 N N 2.587 121.216 118.700 -0.117 0.000 2.425 496 N HA 0.156 4.899 4.740 0.005 0.000 0.289 496 N C 0.052 175.517 175.510 -0.074 0.000 1.074 496 N CA -0.424 52.558 53.050 -0.113 0.000 0.905 496 N CB 1.379 39.772 38.487 -0.157 0.000 1.586 496 N HN 0.181 nan 8.380 nan 0.000 0.490 497 L N 2.471 123.654 121.223 -0.066 0.000 2.354 497 L HA 0.101 4.444 4.340 0.005 0.000 0.212 497 L C 1.586 178.412 176.870 -0.073 0.000 1.091 497 L CA 0.613 55.413 54.840 -0.066 0.000 0.828 497 L CB -0.046 41.982 42.059 -0.052 0.000 0.973 497 L HN 0.575 nan 8.230 nan 0.000 0.461 498 N N -0.626 118.040 118.700 -0.056 0.000 2.405 498 N HA -0.068 4.675 4.740 0.005 0.000 0.175 498 N C 0.889 176.389 175.510 -0.016 0.000 1.051 498 N CA -0.168 52.858 53.050 -0.039 0.000 0.899 498 N CB -0.006 38.465 38.487 -0.026 0.000 1.000 498 N HN -0.081 nan 8.380 nan 0.000 0.451 499 L N 1.168 122.381 121.223 -0.016 0.000 3.781 499 L HA -0.184 4.160 4.340 0.005 0.000 0.426 499 L C -0.480 176.444 176.870 0.090 0.000 1.197 499 L CA 1.351 56.216 54.840 0.042 0.000 0.907 499 L CB -2.797 39.320 42.059 0.096 0.000 1.812 499 L HN 0.703 nan 8.230 nan 0.000 0.956 500 T N -2.471 112.109 114.554 0.044 0.000 2.823 500 T HA 0.726 5.079 4.350 0.005 0.000 0.279 500 T C 0.520 175.224 174.700 0.008 0.000 0.998 500 T CA -0.704 61.425 62.100 0.049 0.000 0.994 500 T CB 1.816 70.706 68.868 0.037 0.000 0.960 500 T HN 0.406 nan 8.240 nan 0.000 0.448 501 I N 1.573 122.148 120.570 0.008 0.000 2.692 501 I HA 0.411 4.584 4.170 0.005 0.000 0.284 501 I C -1.991 174.088 176.117 -0.063 0.000 1.159 501 I CA -1.865 59.411 61.300 -0.040 0.000 1.423 501 I CB 0.034 38.011 38.000 -0.038 0.000 1.380 501 I HN 0.447 nan 8.210 nan 0.000 0.580 502 P HA 0.153 nan 4.420 nan 0.000 0.272 502 P C -0.819 176.457 177.300 -0.039 0.000 1.230 502 P CA -0.023 63.004 63.100 -0.122 0.000 0.788 502 P CB 0.784 32.305 31.700 -0.298 0.000 0.949 503 E N 1.062 121.262 120.200 0.001 0.000 2.227 503 E HA 0.445 4.798 4.350 0.005 0.000 0.268 503 E C -1.984 174.659 176.600 0.071 0.000 0.990 503 E CA -1.826 54.595 56.400 0.034 0.000 0.856 503 E CB -0.237 29.477 29.700 0.024 0.000 1.159 503 E HN 0.394 nan 8.360 nan 0.000 0.401 504 P HA 0.317 nan 4.420 nan 0.000 0.276 504 P C 0.040 177.385 177.300 0.075 0.000 1.230 504 P CA -0.154 62.983 63.100 0.061 0.000 0.776 504 P CB 1.002 32.734 31.700 0.053 0.000 0.888 505 G N 0.673 109.500 108.800 0.045 0.000 3.302 505 G HA2 -0.052 3.911 3.960 0.005 0.000 0.137 505 G HA3 -0.052 3.911 3.960 0.005 0.000 0.137 505 G C 0.629 175.538 174.900 0.016 0.000 1.353 505 G CA 0.038 45.159 45.100 0.035 0.000 0.965 505 G HN 0.482 nan 8.290 nan 0.000 0.564 506 L N 2.453 123.682 121.223 0.009 0.000 2.042 506 L HA -0.030 4.313 4.340 0.005 0.000 0.210 506 L C 3.022 179.896 176.870 0.008 0.000 1.076 506 L CA 3.297 58.141 54.840 0.005 0.000 0.749 506 L CB -0.706 41.358 42.059 0.007 0.000 0.893 506 L HN 0.435 nan 8.230 nan 0.000 0.432 507 S N -2.318 113.388 115.700 0.012 0.000 2.370 507 S HA -0.233 4.240 4.470 0.005 0.000 0.226 507 S C 1.877 176.483 174.600 0.010 0.000 1.033 507 S CA 1.788 59.995 58.200 0.011 0.000 1.011 507 S CB -1.437 61.771 63.200 0.013 0.000 0.852 507 S HN 0.568 nan 8.310 nan 0.000 0.457 508 T N 2.198 116.758 114.554 0.010 0.000 2.746 508 T HA -0.008 4.345 4.350 0.005 0.000 0.267 508 T C 1.939 176.642 174.700 0.004 0.000 1.039 508 T CA 1.369 63.472 62.100 0.004 0.000 1.142 508 T CB -0.657 68.215 68.868 0.008 0.000 0.866 508 T HN 0.281 nan 8.240 nan 0.000 0.444 509 V N 1.744 121.660 119.914 0.005 0.000 2.295 509 V HA -0.232 3.891 4.120 0.005 0.000 0.246 509 V C 2.644 178.741 176.094 0.004 0.000 1.049 509 V CA 1.722 64.022 62.300 0.000 0.000 1.024 509 V CB -0.696 31.122 31.823 -0.008 0.000 0.648 509 V HN 0.541 nan 8.190 nan 0.000 0.447 510 Q N -0.279 119.525 119.800 0.006 0.000 2.124 510 Q HA -0.150 4.193 4.340 0.005 0.000 0.202 510 Q C 2.413 178.423 176.000 0.018 0.000 0.977 510 Q CA 1.698 57.506 55.803 0.009 0.000 0.850 510 Q CB -0.403 28.340 28.738 0.008 0.000 0.901 510 Q HN 0.680 nan 8.270 nan 0.000 0.429 511 A N 0.540 123.373 122.820 0.020 0.000 1.855 511 A HA -0.134 4.190 4.320 0.005 0.000 0.215 511 A C 2.375 179.986 177.584 0.045 0.000 1.191 511 A CA 1.397 53.454 52.037 0.032 0.000 0.613 511 A CB -0.796 18.221 19.000 0.028 0.000 0.829 511 A HN 0.192 nan 8.150 nan 0.000 0.442 512 V N -0.514 119.421 119.914 0.035 0.000 2.261 512 V HA -0.334 3.790 4.120 0.005 0.000 0.246 512 V C 2.673 178.793 176.094 0.044 0.000 1.047 512 V CA 2.143 64.468 62.300 0.040 0.000 1.015 512 V CB -1.234 30.595 31.823 0.010 0.000 0.642 512 V HN 0.703 nan 8.190 nan 0.000 0.446 513 c N 0.989 119.606 118.600 0.028 0.000 2.419 513 c HA -0.037 4.536 4.570 0.005 0.000 0.281 513 c C 2.882 176.992 174.090 0.033 0.000 1.336 513 c CA 0.576 56.922 56.329 0.027 0.000 1.770 513 c CB -1.802 40.714 42.510 0.010 0.000 1.929 513 c HN 0.712 nan 8.230 nan 0.000 0.509 514 G N 0.509 109.329 108.800 0.034 0.000 2.422 514 G HA2 0.040 4.004 3.960 0.005 0.000 0.218 514 G HA3 0.040 4.004 3.960 0.005 0.000 0.218 514 G C 1.747 176.674 174.900 0.045 0.000 1.146 514 G CA 1.131 46.251 45.100 0.034 0.000 0.769 514 G HN 0.571 nan 8.290 nan 0.000 0.547 515 G N -1.184 107.654 108.800 0.063 0.000 2.426 515 G HA2 0.316 4.279 3.960 0.005 0.000 0.214 515 G HA3 0.316 4.279 3.960 0.005 0.000 0.214 515 G C 0.169 175.123 174.900 0.089 0.000 1.156 515 G CA 1.093 46.240 45.100 0.079 0.000 0.802 515 G HN 0.606 nan 8.290 nan 0.000 0.534 516 V N 0.097 120.067 119.914 0.094 0.000 3.178 516 V HA 0.510 4.633 4.120 0.005 0.000 0.302 516 V C -0.798 175.349 176.094 0.089 0.000 1.262 516 V CA -1.484 60.879 62.300 0.106 0.000 1.030 516 V CB 2.122 34.041 31.823 0.161 0.000 1.074 516 V HN 0.585 nan 8.190 nan 0.000 0.438 517 R N 3.433 123.990 120.500 0.094 0.000 2.537 517 R HA 0.381 4.724 4.340 0.005 0.000 0.281 517 R C -0.148 176.204 176.300 0.088 0.000 0.988 517 R CA 0.246 56.391 56.100 0.076 0.000 1.077 517 R CB -0.508 29.838 30.300 0.077 0.000 0.932 517 R HN 0.901 nan 8.270 nan 0.000 0.409 518 c N 0.199 118.825 118.600 0.042 0.000 2.779 518 c HA 0.930 5.503 4.570 0.005 0.000 0.314 518 c C -0.214 173.865 174.090 -0.018 0.000 1.231 518 c CA -0.809 55.538 56.329 0.030 0.000 1.652 518 c CB 1.467 43.988 42.510 0.018 0.000 2.198 518 c HN 0.985 nan 8.230 nan 0.000 0.483 519 A N 1.954 124.758 122.820 -0.027 0.000 2.363 519 A HA 0.678 5.001 4.320 0.005 0.000 0.296 519 A C -0.068 177.484 177.584 -0.054 0.000 1.237 519 A CA -0.015 51.978 52.037 -0.073 0.000 0.773 519 A CB 0.281 19.211 19.000 -0.116 0.000 1.153 519 A HN 0.953 nan 8.150 nan 0.000 0.473 520 T N 2.163 116.676 114.554 -0.067 0.000 2.780 520 T HA 0.417 4.770 4.350 0.005 0.000 0.294 520 T C 0.019 174.674 174.700 -0.075 0.000 0.949 520 T CA 0.032 62.096 62.100 -0.060 0.000 1.074 520 T CB 0.796 69.624 68.868 -0.067 0.000 0.910 520 T HN 0.377 nan 8.240 nan 0.000 0.501 521 V N 5.311 125.197 119.914 -0.048 0.000 2.347 521 V HA 0.370 4.493 4.120 0.005 0.000 0.280 521 V C -0.207 175.844 176.094 -0.071 0.000 1.021 521 V CA -0.845 61.426 62.300 -0.049 0.000 0.847 521 V CB 1.258 33.081 31.823 -0.000 0.000 0.990 521 V HN 0.624 nan 8.190 nan 0.000 0.444 522 L N 7.183 128.340 121.223 -0.110 0.000 2.265 522 L HA 0.553 4.896 4.340 0.005 0.000 0.289 522 L C -0.441 176.358 176.870 -0.118 0.000 1.033 522 L CA 0.124 54.890 54.840 -0.123 0.000 0.814 522 L CB 0.879 42.872 42.059 -0.110 0.000 1.203 522 L HN 0.394 nan 8.230 nan 0.000 0.423 523 I N 5.063 125.559 120.570 -0.123 0.000 2.312 523 I HA 0.508 4.681 4.170 0.005 0.000 0.290 523 I C 0.091 176.198 176.117 -0.017 0.000 1.008 523 I CA 0.028 61.309 61.300 -0.031 0.000 1.226 523 I CB 0.627 38.675 38.000 0.080 0.000 1.371 523 I HN 0.803 nan 8.210 nan 0.000 0.468 524 S N 3.052 118.790 115.700 0.062 0.000 2.587 524 S HA 0.604 5.078 4.470 0.005 0.000 0.269 524 S C 0.155 174.883 174.600 0.214 0.000 1.154 524 S CA -0.388 57.881 58.200 0.114 0.000 0.824 524 S CB 1.523 64.790 63.200 0.113 0.000 1.118 524 S HN 0.650 nan 8.310 nan 0.000 0.462 525 G N 0.359 109.274 108.800 0.193 0.000 3.284 525 G HA2 0.508 4.471 3.960 0.005 0.000 0.236 525 G HA3 0.508 4.471 3.960 0.005 0.000 0.236 525 G C 0.266 175.371 174.900 0.342 0.000 1.158 525 G CA -0.331 44.900 45.100 0.218 0.000 0.774 525 G HN 1.022 nan 8.290 nan 0.000 0.545 526 R N -1.684 119.021 120.500 0.343 0.000 2.774 526 R HA 0.321 4.664 4.340 0.005 0.000 0.279 526 R C -3.467 172.855 176.300 0.037 0.000 1.022 526 R CA -1.496 54.748 56.100 0.240 0.000 0.855 526 R CB 0.152 30.565 30.300 0.189 0.000 1.279 526 R HN -0.157 nan 8.270 nan 0.000 0.485 527 P HA 0.123 nan 4.420 nan 0.000 0.271 527 P C -0.266 176.630 177.300 -0.672 0.000 1.216 527 P CA -0.284 62.015 63.100 -1.336 0.000 0.776 527 P CB 1.241 31.800 31.700 -1.902 0.000 0.881 528 V N 0.190 119.839 119.914 -0.443 0.000 3.141 528 V HA 0.414 4.537 4.120 0.005 0.000 0.312 528 V C 0.071 176.307 176.094 0.238 0.000 1.157 528 V CA -1.314 61.033 62.300 0.080 0.000 1.041 528 V CB 1.465 33.370 31.823 0.138 0.000 1.071 528 V HN 0.206 nan 8.190 nan 0.000 0.441 529 V N 1.344 121.452 119.914 0.324 0.000 2.539 529 V HA 0.072 4.195 4.120 0.005 0.000 0.300 529 V C 0.959 177.198 176.094 0.242 0.000 1.019 529 V CA 1.294 63.779 62.300 0.308 0.000 1.160 529 V CB 0.857 32.816 31.823 0.228 0.000 0.901 529 V HN 0.907 nan 8.190 nan 0.000 0.481 530 V N 4.400 124.452 119.914 0.229 0.000 3.337 530 V HA 0.126 4.250 4.120 0.005 0.000 0.307 530 V C 1.444 177.533 176.094 -0.007 0.000 1.505 530 V CA 0.376 62.736 62.300 0.100 0.000 1.072 530 V CB 1.073 32.918 31.823 0.036 0.000 0.929 530 V HN 0.942 nan 8.190 nan 0.000 0.455 531 Q N 1.023 120.826 119.800 0.005 0.000 2.046 531 Q HA -0.048 4.296 4.340 0.005 0.000 0.200 531 Q C -0.505 175.478 176.000 -0.027 0.000 0.975 531 Q CA 2.528 58.309 55.803 -0.037 0.000 0.836 531 Q CB -1.173 27.546 28.738 -0.032 0.000 0.896 531 Q HN 0.511 nan 8.270 nan 0.000 0.428 532 P HA -0.177 nan 4.420 nan 0.000 0.215 532 P C 0.932 178.223 177.300 -0.015 0.000 1.157 532 P CA 1.123 64.220 63.100 -0.005 0.000 0.868 532 P CB 0.009 31.714 31.700 0.009 0.000 0.788 533 L N -1.878 119.335 121.223 -0.016 0.000 2.046 533 L HA -0.189 4.154 4.340 0.005 0.000 0.208 533 L C 2.334 179.174 176.870 -0.050 0.000 1.077 533 L CA 1.060 55.882 54.840 -0.030 0.000 0.747 533 L CB -0.927 41.112 42.059 -0.034 0.000 0.896 533 L HN -0.013 nan 8.230 nan 0.000 0.432 534 L N -0.105 121.081 121.223 -0.062 0.000 1.994 534 L HA -0.183 4.160 4.340 0.005 0.000 0.208 534 L C 2.764 179.602 176.870 -0.053 0.000 1.071 534 L CA 2.102 56.899 54.840 -0.072 0.000 0.745 534 L CB -1.107 40.906 42.059 -0.077 0.000 0.892 534 L HN 0.193 nan 8.230 nan 0.000 0.431 535 A N -0.946 121.848 122.820 -0.044 0.000 1.917 535 A HA -0.236 4.087 4.320 0.005 0.000 0.219 535 A C 2.374 179.942 177.584 -0.027 0.000 1.182 535 A CA 2.211 54.227 52.037 -0.034 0.000 0.633 535 A CB -0.963 18.020 19.000 -0.028 0.000 0.819 535 A HN 0.474 nan 8.150 nan 0.000 0.448 536 A N -0.968 121.837 122.820 -0.025 0.000 2.021 536 A HA 0.305 4.628 4.320 0.005 0.000 0.216 536 A C 1.410 178.982 177.584 -0.021 0.000 1.163 536 A CA 0.843 52.869 52.037 -0.018 0.000 0.676 536 A CB -0.290 18.703 19.000 -0.012 0.000 0.818 536 A HN 0.395 nan 8.150 nan 0.000 0.453 537 S N 0.599 116.278 115.700 -0.035 0.000 2.610 537 S HA 0.237 4.710 4.470 0.005 0.000 0.273 537 S C 0.136 174.709 174.600 -0.046 0.000 1.274 537 S CA -0.529 57.645 58.200 -0.042 0.000 1.023 537 S CB 1.144 64.306 63.200 -0.063 0.000 0.962 537 S HN 0.408 nan 8.310 nan 0.000 0.523 538 D N 0.954 121.327 120.400 -0.045 0.000 2.162 538 D HA 0.175 4.818 4.640 0.005 0.000 0.205 538 D C 0.505 176.759 176.300 -0.077 0.000 0.964 538 D CA 0.763 54.734 54.000 -0.048 0.000 0.847 538 D CB 0.227 41.006 40.800 -0.036 0.000 0.988 538 D HN 0.565 nan 8.370 nan 0.000 0.480 539 A N 0.426 123.187 122.820 -0.098 0.000 2.449 539 A HA 0.667 4.990 4.320 0.005 0.000 0.302 539 A C -1.429 176.062 177.584 -0.155 0.000 1.048 539 A CA -0.529 51.420 52.037 -0.145 0.000 0.708 539 A CB 1.835 20.733 19.000 -0.170 0.000 1.274 539 A HN 0.155 nan 8.150 nan 0.000 0.410 540 L N 2.529 123.631 121.223 -0.201 0.000 2.470 540 L HA 0.727 5.071 4.340 0.005 0.000 0.268 540 L C -1.696 175.011 176.870 -0.273 0.000 0.964 540 L CA -0.603 54.112 54.840 -0.208 0.000 0.839 540 L CB 1.997 43.935 42.059 -0.202 0.000 1.276 540 L HN 0.495 nan 8.230 nan 0.000 0.403 541 V N 3.975 123.751 119.914 -0.230 0.000 2.459 541 V HA 0.667 4.791 4.120 0.005 0.000 0.295 541 V C 0.301 176.251 176.094 -0.240 0.000 1.029 541 V CA -0.467 61.698 62.300 -0.225 0.000 0.874 541 V CB 1.706 33.483 31.823 -0.076 0.000 0.985 541 V HN 0.846 nan 8.190 nan 0.000 0.438 542 A N 3.557 126.179 122.820 -0.330 0.000 2.316 542 A HA 0.689 5.013 4.320 0.005 0.000 0.311 542 A C 0.921 178.129 177.584 -0.628 0.000 1.339 542 A CA 0.230 51.947 52.037 -0.533 0.000 0.960 542 A CB 0.644 19.222 19.000 -0.703 0.000 1.152 542 A HN 1.244 nan 8.150 nan 0.000 0.547 543 A N 2.456 125.025 122.820 -0.418 0.000 2.308 543 A HA 0.451 4.774 4.320 0.005 0.000 0.217 543 A C 0.713 178.268 177.584 -0.049 0.000 1.216 543 A CA 0.346 52.268 52.037 -0.191 0.000 0.864 543 A CB -0.808 18.177 19.000 -0.025 0.000 0.902 543 A HN 1.182 nan 8.150 nan 0.000 0.499 544 W N -1.774 119.595 121.300 0.115 0.000 2.245 544 W HA -0.302 4.361 4.660 0.005 0.000 0.286 544 W C 0.143 176.707 176.519 0.075 0.000 1.350 544 W CA 0.587 57.993 57.345 0.101 0.000 1.307 544 W CB -1.332 28.199 29.460 0.118 0.000 0.894 544 W HN 0.080 nan 8.180 nan 0.000 0.518 545 L N 1.422 122.872 121.223 0.377 0.000 2.445 545 L HA 0.230 4.574 4.340 0.005 0.000 0.252 545 L C -1.760 175.236 176.870 0.211 0.000 1.105 545 L CA -1.813 53.159 54.840 0.220 0.000 0.943 545 L CB 0.880 43.041 42.059 0.170 0.000 1.277 545 L HN -0.094 nan 8.230 nan 0.000 0.465 546 P HA -0.197 nan 4.420 nan 0.000 0.217 546 P C 0.941 178.284 177.300 0.071 0.000 1.158 546 P CA 1.625 64.802 63.100 0.129 0.000 0.887 546 P CB 0.252 32.009 31.700 0.095 0.000 0.792 547 G N -2.443 106.381 108.800 0.041 0.000 2.396 547 G HA2 -0.115 3.848 3.960 0.005 0.000 0.254 547 G HA3 -0.115 3.848 3.960 0.005 0.000 0.254 547 G C 0.890 175.744 174.900 -0.077 0.000 1.248 547 G CA 0.152 45.225 45.100 -0.046 0.000 1.033 547 G HN 0.195 nan 8.290 nan 0.000 0.502 548 S N -0.601 115.006 115.700 -0.155 0.000 2.461 548 S HA 0.147 4.620 4.470 0.005 0.000 0.228 548 S C 0.636 175.163 174.600 -0.121 0.000 1.005 548 S CA 1.569 59.682 58.200 -0.144 0.000 0.942 548 S CB 0.173 63.253 63.200 -0.200 0.000 0.776 548 S HN 0.581 nan 8.310 nan 0.000 0.514 549 E N 2.144 122.268 120.200 -0.127 0.000 1.964 549 E HA 0.329 4.683 4.350 0.005 0.000 0.264 549 E C 1.101 177.673 176.600 -0.047 0.000 1.120 549 E CA -0.121 56.221 56.400 -0.096 0.000 1.061 549 E CB 0.105 29.732 29.700 -0.122 0.000 1.190 549 E HN 0.484 nan 8.360 nan 0.000 0.459 550 G N 1.816 110.600 108.800 -0.028 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 1.239 176.151 174.900 0.020 0.000 1.115 550 G CA 0.286 45.389 45.100 0.005 0.000 0.757 550 G HN 0.381 nan 8.290 nan 0.000 0.560 551 Q N 0.099 119.905 119.800 0.011 0.000 2.368 551 Q HA -0.030 4.314 4.340 0.005 0.000 0.210 551 Q C 2.674 178.691 176.000 0.030 0.000 0.982 551 Q CA 0.647 56.470 55.803 0.034 0.000 0.884 551 Q CB -0.225 28.525 28.738 0.021 0.000 0.933 551 Q HN 0.473 nan 8.270 nan 0.000 0.460 552 G N 0.207 109.006 108.800 -0.001 0.000 2.432 552 G HA2 -0.196 3.767 3.960 0.005 0.000 0.219 552 G HA3 -0.196 3.767 3.960 0.005 0.000 0.219 552 G C 1.452 176.343 174.900 -0.016 0.000 1.135 552 G CA 0.642 45.726 45.100 -0.027 0.000 0.767 552 G HN 0.217 nan 8.290 nan 0.000 0.550 553 V N 1.667 121.591 119.914 0.017 0.000 2.323 553 V HA -0.159 3.964 4.120 0.005 0.000 0.244 553 V C 3.295 179.407 176.094 0.031 0.000 1.041 553 V CA 2.379 64.694 62.300 0.025 0.000 1.025 553 V CB -0.968 30.886 31.823 0.051 0.000 0.656 553 V HN 0.611 nan 8.190 nan 0.000 0.451 554 T N -2.567 112.045 114.554 0.097 0.000 2.915 554 T HA -0.179 4.174 4.350 0.005 0.000 0.269 554 T C 1.502 176.335 174.700 0.222 0.000 1.071 554 T CA 1.261 63.488 62.100 0.211 0.000 1.132 554 T CB -0.432 68.651 68.868 0.358 0.000 0.878 554 T HN 0.368 nan 8.240 nan 0.000 0.479 555 D N 1.976 122.461 120.400 0.141 0.000 2.182 555 D HA -0.009 4.634 4.640 0.005 0.000 0.201 555 D C 2.249 178.622 176.300 0.122 0.000 0.986 555 D CA 1.466 55.583 54.000 0.194 0.000 0.847 555 D CB -0.325 40.582 40.800 0.178 0.000 0.942 555 D HN 0.619 nan 8.370 nan 0.000 0.467 556 A N 0.062 122.823 122.820 -0.099 0.000 1.924 556 A HA 0.081 4.404 4.320 0.005 0.000 0.211 556 A C 2.330 179.764 177.584 -0.251 0.000 1.198 556 A CA 0.060 51.842 52.037 -0.425 0.000 0.657 556 A CB -0.500 17.831 19.000 -1.115 0.000 0.852 556 A HN 0.127 nan 8.150 nan 0.000 0.454 557 L N -1.550 119.597 121.223 -0.127 0.000 2.079 557 L HA -0.172 4.171 4.340 0.005 0.000 0.210 557 L C 1.702 178.350 176.870 -0.370 0.000 1.081 557 L CA 1.339 56.064 54.840 -0.192 0.000 0.752 557 L CB -0.439 41.389 42.059 -0.385 0.000 0.896 557 L HN 0.408 nan 8.230 nan 0.000 0.433 558 F N -0.652 119.308 119.950 0.017 0.000 2.693 558 F HA 0.255 4.786 4.527 0.005 0.000 0.303 558 F C 1.681 177.477 175.800 -0.007 0.000 1.097 558 F CA 0.512 58.514 58.000 0.003 0.000 1.330 558 F CB 0.028 39.039 39.000 0.018 0.000 1.067 558 F HN 0.139 nan 8.300 nan 0.000 0.565 559 G N -0.073 108.784 108.800 0.094 0.000 2.179 559 G HA2 -0.310 3.653 3.960 0.005 0.000 0.260 559 G HA3 -0.310 3.653 3.960 0.005 0.000 0.260 559 G C 1.019 175.905 174.900 -0.023 0.000 0.977 559 G CA 0.537 45.663 45.100 0.043 0.000 0.641 559 G HN 0.304 nan 8.290 nan 0.000 0.533 560 D N -0.569 119.820 120.400 -0.018 0.000 2.218 560 D HA 0.093 4.736 4.640 0.005 0.000 0.204 560 D C 0.681 176.592 176.300 -0.648 0.000 0.976 560 D CA 1.149 54.996 54.000 -0.255 0.000 0.853 560 D CB 0.012 40.740 40.800 -0.119 0.000 0.939 560 D HN 0.476 nan 8.370 nan 0.000 0.481 561 F N -1.112 118.806 119.950 -0.053 0.000 2.631 561 F HA 0.489 5.019 4.527 0.005 0.000 0.308 561 F C 0.770 176.498 175.800 -0.119 0.000 1.097 561 F CA -1.282 56.674 58.000 -0.074 0.000 0.952 561 F CB 1.749 40.696 39.000 -0.089 0.000 1.307 561 F HN -0.312 nan 8.300 nan 0.000 0.450 562 G N 0.573 109.437 108.800 0.107 0.000 2.425 562 G HA2 0.506 4.469 3.960 0.005 0.000 0.302 562 G HA3 0.506 4.469 3.960 0.005 0.000 0.302 562 G C -1.175 173.744 174.900 0.032 0.000 1.159 562 G CA -0.448 44.696 45.100 0.072 0.000 0.865 562 G HN 0.348 nan 8.290 nan 0.000 0.515 563 F N 0.348 120.319 119.950 0.035 0.000 2.529 563 F HA 0.279 4.809 4.527 0.006 0.000 0.365 563 F C 1.834 177.643 175.800 0.016 0.000 1.102 563 F CA 0.744 58.756 58.000 0.019 0.000 1.271 563 F CB 1.500 40.488 39.000 -0.020 0.000 1.120 563 F HN 0.531 nan 8.300 nan 0.000 0.579 564 T N -1.280 113.377 114.554 0.172 0.000 2.993 564 T HA 0.264 4.617 4.350 0.005 0.000 0.260 564 T C 0.920 175.688 174.700 0.113 0.000 0.939 564 T CA 0.178 62.346 62.100 0.113 0.000 0.886 564 T CB -0.422 68.492 68.868 0.076 0.000 1.209 564 T HN 0.688 nan 8.240 nan 0.000 0.518 565 G N 1.548 110.441 108.800 0.154 0.000 2.414 565 G HA2 0.472 4.435 3.960 0.005 0.000 0.236 565 G HA3 0.472 4.435 3.960 0.005 0.000 0.236 565 G C -0.604 174.393 174.900 0.161 0.000 1.293 565 G CA -0.504 44.701 45.100 0.175 0.000 0.869 565 G HN 0.487 nan 8.290 nan 0.000 0.556 566 R N 1.091 121.691 120.500 0.167 0.000 2.621 566 R HA 0.259 4.602 4.340 0.005 0.000 0.292 566 R C -0.068 176.375 176.300 0.237 0.000 0.969 566 R CA -0.957 55.239 56.100 0.160 0.000 0.887 566 R CB 2.010 32.374 30.300 0.106 0.000 1.180 566 R HN 0.437 nan 8.270 nan 0.000 0.450 567 L N 4.988 126.396 121.223 0.308 0.000 2.706 567 L HA -0.048 4.295 4.340 0.005 0.000 0.282 567 L C -1.241 175.781 176.870 0.253 0.000 1.219 567 L CA -0.321 54.754 54.840 0.392 0.000 0.935 567 L CB 0.298 42.626 42.059 0.449 0.000 1.204 567 L HN 0.464 nan 8.230 nan 0.000 0.491 568 P HA 0.079 nan 4.420 nan 0.000 0.257 568 P C 0.150 177.498 177.300 0.080 0.000 1.241 568 P CA 0.533 63.672 63.100 0.064 0.000 0.816 568 P CB 0.685 32.350 31.700 -0.058 0.000 1.150 569 R N -1.381 119.204 120.500 0.142 0.000 2.922 569 R HA 0.555 4.898 4.340 0.005 0.000 0.256 569 R C -0.388 176.066 176.300 0.258 0.000 1.138 569 R CA -0.612 55.585 56.100 0.161 0.000 0.995 569 R CB 0.851 31.215 30.300 0.107 0.000 1.226 569 R HN -0.261 nan 8.270 nan 0.000 0.481 570 T N 1.078 115.790 114.554 0.263 0.000 2.806 570 T HA 0.169 4.522 4.350 0.005 0.000 0.290 570 T C -0.972 173.881 174.700 0.255 0.000 0.966 570 T CA -0.247 62.053 62.100 0.333 0.000 1.060 570 T CB 0.608 69.732 68.868 0.427 0.000 0.927 570 T HN 0.220 nan 8.240 nan 0.000 0.485 571 W N 6.791 128.159 121.300 0.113 0.000 2.335 571 W HA 0.392 5.055 4.660 0.005 0.000 0.307 571 W C -0.887 175.541 176.519 -0.151 0.000 1.117 571 W CA -1.938 55.364 57.345 -0.072 0.000 1.228 571 W CB 0.303 29.799 29.460 0.061 0.000 1.240 571 W HN 0.615 nan 8.180 nan 0.000 0.468 572 F N 3.133 123.190 119.950 0.178 0.000 2.370 572 F HA 0.429 4.959 4.527 0.005 0.000 0.319 572 F C 1.076 176.961 175.800 0.142 0.000 1.129 572 F CA -0.911 57.147 58.000 0.098 0.000 1.109 572 F CB 0.520 39.539 39.000 0.033 0.000 1.262 572 F HN 0.251 nan 8.300 nan 0.000 0.534 573 K N -0.147 120.426 120.400 0.288 0.000 2.166 573 K HA 0.133 4.457 4.320 0.005 0.000 0.201 573 K C 0.265 177.037 176.600 0.286 0.000 1.052 573 K CA 0.884 57.273 56.287 0.170 0.000 0.969 573 K CB 0.168 32.683 32.500 0.024 0.000 0.761 573 K HN 0.653 nan 8.250 nan 0.000 0.459 574 S N -0.650 115.240 115.700 0.317 0.000 2.579 574 S HA 0.187 4.660 4.470 0.005 0.000 0.272 574 S C 0.735 175.296 174.600 -0.064 0.000 1.141 574 S CA -0.788 57.516 58.200 0.174 0.000 0.843 574 S CB 1.774 65.012 63.200 0.064 0.000 1.122 574 S HN -0.016 nan 8.310 nan 0.000 0.468 575 V N 0.742 120.521 119.914 -0.225 0.000 2.515 575 V HA 0.011 4.135 4.120 0.005 0.000 0.250 575 V C 1.455 177.403 176.094 -0.244 0.000 1.058 575 V CA 2.110 64.135 62.300 -0.458 0.000 1.064 575 V CB -1.346 30.282 31.823 -0.324 0.000 0.675 575 V HN 0.900 nan 8.190 nan 0.000 0.461 576 D N -0.162 120.170 120.400 -0.113 0.000 2.378 576 D HA -0.123 4.520 4.640 0.005 0.000 0.227 576 D C 1.859 178.156 176.300 -0.005 0.000 1.012 576 D CA 0.707 54.675 54.000 -0.053 0.000 0.905 576 D CB -0.454 40.332 40.800 -0.023 0.000 0.895 576 D HN 0.582 nan 8.370 nan 0.000 0.532 577 Q N -0.160 119.635 119.800 -0.009 0.000 2.354 577 Q HA 0.161 4.504 4.340 0.005 0.000 0.203 577 Q C 0.481 176.558 176.000 0.128 0.000 0.933 577 Q CA 0.052 55.912 55.803 0.094 0.000 0.901 577 Q CB 0.379 29.142 28.738 0.041 0.000 1.007 577 Q HN 0.394 nan 8.270 nan 0.000 0.495 578 L N 2.539 123.759 121.223 -0.005 0.000 2.456 578 L HA 0.156 4.500 4.340 0.005 0.000 0.272 578 L C -2.009 174.869 176.870 0.013 0.000 1.189 578 L CA -1.700 53.137 54.840 -0.005 0.000 0.846 578 L CB -0.278 41.705 42.059 -0.126 0.000 1.111 578 L HN -0.082 nan 8.230 nan 0.000 0.475 579 P HA 0.333 nan 4.420 nan 0.000 0.274 579 P C -0.791 176.604 177.300 0.159 0.000 1.246 579 P CA -0.512 62.631 63.100 0.072 0.000 0.795 579 P CB 0.712 32.443 31.700 0.052 0.000 1.006 580 M N 1.474 121.195 119.600 0.202 0.000 2.480 580 M HA 0.263 4.747 4.480 0.005 0.000 0.186 580 M C -2.155 174.336 176.300 0.318 0.000 0.948 580 M CA -0.217 55.272 55.300 0.315 0.000 0.857 580 M CB 0.516 33.317 32.600 0.336 0.000 2.723 580 M HN 0.229 nan 8.290 nan 0.000 0.410 581 N N 1.455 120.289 118.700 0.224 0.000 2.402 581 N HA 0.677 5.420 4.740 0.005 0.000 0.294 581 N C -0.868 174.518 175.510 -0.207 0.000 1.203 581 N CA -0.646 52.472 53.050 0.114 0.000 0.838 581 N CB 2.144 40.660 38.487 0.048 0.000 1.306 581 N HN 0.326 nan 8.380 nan 0.000 0.510 582 V N 0.738 120.430 119.914 -0.370 0.000 2.953 582 V HA 0.139 4.262 4.120 0.005 0.000 0.304 582 V C 1.597 177.402 176.094 -0.482 0.000 1.138 582 V CA 1.489 63.320 62.300 -0.781 0.000 1.266 582 V CB 0.063 31.704 31.823 -0.303 0.000 0.923 582 V HN 1.016 nan 8.190 nan 0.000 0.505 583 G N 2.673 111.183 108.800 -0.482 0.000 2.184 583 G HA2 -0.231 3.732 3.960 0.005 0.000 0.264 583 G HA3 -0.231 3.732 3.960 0.005 0.000 0.264 583 G C -0.019 174.802 174.900 -0.131 0.000 0.975 583 G CA 0.361 45.336 45.100 -0.208 0.000 0.642 583 G HN 0.764 nan 8.290 nan 0.000 0.536 584 D N -0.597 119.711 120.400 -0.155 0.000 2.393 584 D HA 0.656 5.299 4.640 0.005 0.000 0.246 584 D C 1.736 178.095 176.300 0.098 0.000 1.275 584 D CA 0.590 54.602 54.000 0.021 0.000 0.979 584 D CB 0.360 41.245 40.800 0.142 0.000 1.101 584 D HN 0.365 nan 8.370 nan 0.000 0.505 585 A N 0.077 122.971 122.820 0.122 0.000 1.832 585 A HA -0.132 4.191 4.320 0.005 0.000 0.214 585 A C 1.374 179.091 177.584 0.222 0.000 1.204 585 A CA 1.598 53.707 52.037 0.120 0.000 0.606 585 A CB -1.014 18.017 19.000 0.051 0.000 0.849 585 A HN 0.810 nan 8.150 nan 0.000 0.445 586 H N -3.648 115.482 119.070 0.100 0.000 2.660 586 H HA 0.306 4.866 4.556 0.005 0.000 0.310 586 H C -0.310 175.112 175.328 0.158 0.000 1.080 586 H CA -0.824 55.286 56.048 0.102 0.000 1.145 586 H CB -0.549 29.254 29.762 0.068 0.000 1.432 586 H HN 0.346 nan 8.280 nan 0.000 0.542 587 Y N 2.616 122.990 120.300 0.122 0.000 2.857 587 Y HA -0.118 4.435 4.550 0.005 0.000 0.373 587 Y C -0.187 175.680 175.900 -0.055 0.000 1.346 587 Y CA 0.034 58.147 58.100 0.023 0.000 1.736 587 Y CB -0.272 38.227 38.460 0.064 0.000 1.236 587 Y HN 0.560 nan 8.280 nan 0.000 0.507 588 D N 7.996 128.185 120.400 -0.352 0.000 2.613 588 D HA 0.257 4.900 4.640 0.005 0.000 0.312 588 D C -2.992 173.088 176.300 -0.367 0.000 1.202 588 D CA -1.904 51.901 54.000 -0.326 0.000 0.825 588 D CB 0.616 41.264 40.800 -0.253 0.000 1.113 588 D HN 0.210 nan 8.370 nan 0.000 0.502 589 P HA 0.063 nan 4.420 nan 0.000 0.277 589 P C 0.743 177.872 177.300 -0.285 0.000 1.240 589 P CA -0.636 62.235 63.100 -0.382 0.000 0.798 589 P CB 1.909 33.279 31.700 -0.550 0.000 0.979 590 L N 1.609 122.695 121.223 -0.228 0.000 2.131 590 L HA 0.257 4.600 4.340 0.005 0.000 0.206 590 L C 0.070 176.443 176.870 -0.829 0.000 1.087 590 L CA 1.708 56.267 54.840 -0.467 0.000 0.767 590 L CB -0.386 41.448 42.059 -0.376 0.000 0.917 590 L HN 0.214 nan 8.230 nan 0.000 0.441 591 F N 0.363 120.202 119.950 -0.184 0.000 2.585 591 F HA 0.411 4.941 4.527 0.006 0.000 0.319 591 F C 0.030 175.807 175.800 -0.037 0.000 1.165 591 F CA -1.115 56.717 58.000 -0.280 0.000 0.949 591 F CB 0.951 39.722 39.000 -0.381 0.000 1.218 591 F HN -0.061 nan 8.300 nan 0.000 0.453 592 R N 3.065 123.670 120.500 0.175 0.000 2.679 592 R HA 0.540 4.884 4.340 0.005 0.000 0.269 592 R C -0.350 176.174 176.300 0.374 0.000 1.076 592 R CA -0.762 55.496 56.100 0.263 0.000 1.160 592 R CB 0.998 31.466 30.300 0.280 0.000 1.054 592 R HN 0.804 nan 8.270 nan 0.000 0.507 593 L N 1.471 122.935 121.223 0.402 0.000 2.514 593 L HA 0.152 4.496 4.340 0.005 0.000 0.280 593 L C 1.028 178.063 176.870 0.275 0.000 1.223 593 L CA 1.718 56.749 54.840 0.318 0.000 0.864 593 L CB 0.424 42.633 42.059 0.249 0.000 1.118 593 L HN 1.092 nan 8.230 nan 0.000 0.494 594 G N 2.216 111.163 108.800 0.245 0.000 2.217 594 G HA2 -0.364 3.599 3.960 0.005 0.000 0.246 594 G HA3 -0.364 3.599 3.960 0.005 0.000 0.246 594 G C -0.085 174.939 174.900 0.207 0.000 0.990 594 G CA 0.261 45.477 45.100 0.194 0.000 0.627 594 G HN 0.812 nan 8.290 nan 0.000 0.522 595 Y N 1.543 121.929 120.300 0.144 0.000 2.397 595 Y HA 0.457 5.010 4.550 0.005 0.000 0.335 595 Y C 0.601 176.524 175.900 0.039 0.000 1.213 595 Y CA 0.829 58.990 58.100 0.101 0.000 1.391 595 Y CB 1.304 39.852 38.460 0.147 0.000 1.293 595 Y HN 0.913 nan 8.280 nan 0.000 0.557 596 G N 6.476 114.834 108.800 -0.737 0.000 2.030 596 G HA2 0.268 4.232 3.960 0.005 0.000 0.309 596 G HA3 0.268 4.232 3.960 0.005 0.000 0.309 596 G C -1.921 172.663 174.900 -0.526 0.000 1.668 596 G CA -1.000 43.806 45.100 -0.491 0.000 0.926 596 G HN 0.799 nan 8.290 nan 0.000 0.652 597 L N 1.673 122.596 121.223 -0.499 0.000 2.452 597 L HA 0.637 4.981 4.340 0.005 0.000 0.267 597 L C 1.317 178.080 176.870 -0.178 0.000 1.188 597 L CA -0.329 54.315 54.840 -0.326 0.000 0.821 597 L CB 1.221 43.111 42.059 -0.281 0.000 1.102 597 L HN 0.732 nan 8.230 nan 0.000 0.470 598 T N -1.746 112.748 114.554 -0.099 0.000 2.926 598 T HA 0.815 5.168 4.350 0.005 0.000 0.289 598 T C -0.298 174.427 174.700 0.041 0.000 1.054 598 T CA -0.535 61.572 62.100 0.013 0.000 1.015 598 T CB 2.164 71.043 68.868 0.019 0.000 1.167 598 T HN 0.768 nan 8.240 nan 0.000 0.526 599 T N -1.180 113.453 114.554 0.130 0.000 2.821 599 T HA 0.618 4.971 4.350 0.005 0.000 0.306 599 T C -1.347 173.415 174.700 0.105 0.000 1.313 599 T CA -1.067 61.107 62.100 0.123 0.000 1.012 599 T CB 1.100 70.101 68.868 0.221 0.000 1.298 599 T HN 0.751 nan 8.240 nan 0.000 0.502 600 N N -0.136 118.604 118.700 0.068 0.000 2.319 600 N HA 0.656 5.399 4.740 0.005 0.000 0.305 600 N C -0.398 175.129 175.510 0.027 0.000 1.103 600 N CA -0.939 52.138 53.050 0.044 0.000 0.815 600 N CB 1.739 40.242 38.487 0.026 0.000 1.288 600 N HN 1.040 nan 8.380 nan 0.000 0.493 601 A N 0.915 123.736 122.820 0.002 0.000 2.540 601 A HA 0.191 4.514 4.320 0.005 0.000 0.239 601 A C 0.845 178.406 177.584 -0.039 0.000 1.061 601 A CA -0.039 51.969 52.037 -0.047 0.000 0.758 601 A CB -0.421 18.503 19.000 -0.127 0.000 0.991 601 A HN 0.686 nan 8.150 nan 0.000 0.502 602 T N 0.000 114.533 114.554 -0.035 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 -0.020 0.000 1.349 602 T CB 0.000 68.870 68.868 0.003 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658