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 2j6l_1_C DATA FIRST_RESID 4 DATA SEQUENCE TLLINQPQYA WLKELGLREE NEGVYNGSWG GRGEVITTYC PANNEPIARV DATA SEQUENCE RQASVADYEE TVKKAREAWK IWADIPAPKR GEIVRQIGDA LREKIQVLGS DATA SEQUENCE LVSLEMGKIL VEGVGEVQEY VDICDYAVGL SRMIGGPILP SERSGHALIE DATA SEQUENCE QWNPVGLVGI ITAFNFPVAV YGWNNAIAMI CGNVCLWKGA PTTSLISVAV DATA SEQUENCE TKIIAKVLED NKLPGAICSL TCGGADIGTA MAKDERVNLL SFTGSTQVGK DATA SEQUENCE QVGLMVQERF GRSLLELGGN NAIIAFEDAD LSLVVPSALF AAVGTAGQRC DATA SEQUENCE TTARRLFIHE SIHDEVVNRL KKAYAQIRVG NPWDPNVLYG PLHTKQAVSM DATA SEQUENCE FLGAVEEAKK EGGTVVYGGK VMDRPGNYVE PTIVTGLGHD ASIAHTETFA DATA SEQUENCE PILYVFKFQN EEEVFAWNNE VKQGLSSSIF TKDLGRIFRW LGPKGSDCGI DATA SEQUENCE VNVNIPTSGA EIGGAFGGEK HTGGGRESGS DAWKQYMRRS TCTINYS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.659 174.700 -0.069 0.000 1.109 4 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 4 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 5 L N 3.232 124.396 121.223 -0.098 0.000 2.410 5 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 5 L C 1.582 178.344 176.870 -0.179 0.000 1.152 5 L CA -0.218 54.526 54.840 -0.159 0.000 0.855 5 L CB 0.593 42.552 42.059 -0.166 0.000 1.129 5 L HN 0.266 nan 8.230 nan 0.000 0.463 6 L N 3.368 124.423 121.223 -0.281 0.000 2.079 6 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 6 L C 2.217 178.902 176.870 -0.308 0.000 1.081 6 L CA 1.423 56.017 54.840 -0.411 0.000 0.752 6 L CB -0.269 41.267 42.059 -0.871 0.000 0.896 6 L HN 0.685 nan 8.230 nan 0.000 0.433 7 I N 0.266 120.651 120.570 -0.308 0.000 2.700 7 I HA -0.246 3.923 4.170 -0.001 0.000 0.261 7 I C 1.586 177.608 176.117 -0.159 0.000 1.219 7 I CA 0.995 62.142 61.300 -0.255 0.000 1.463 7 I CB -0.090 37.755 38.000 -0.259 0.000 1.092 7 I HN 0.337 nan 8.210 nan 0.000 0.452 8 N N 0.793 119.421 118.700 -0.121 0.000 2.336 8 N HA 0.054 4.794 4.740 -0.001 0.000 0.189 8 N C -0.254 175.234 175.510 -0.038 0.000 1.113 8 N CA 0.255 53.258 53.050 -0.077 0.000 0.858 8 N CB 0.209 38.652 38.487 -0.073 0.000 0.970 8 N HN 0.508 nan 8.380 nan 0.000 0.471 9 Q N 0.422 120.221 119.800 -0.001 0.000 2.256 9 Q HA 0.238 4.578 4.340 -0.001 0.000 0.254 9 Q C -1.641 174.374 176.000 0.026 0.000 0.916 9 Q CA -1.804 54.028 55.803 0.048 0.000 0.932 9 Q CB 1.482 30.311 28.738 0.151 0.000 1.207 9 Q HN -0.039 nan 8.270 nan 0.000 0.426 10 P HA -0.321 nan 4.420 nan 0.000 0.216 10 P C 1.141 178.414 177.300 -0.044 0.000 1.154 10 P CA 1.606 64.692 63.100 -0.023 0.000 0.865 10 P CB 0.139 31.829 31.700 -0.016 0.000 0.789 11 Q N -1.775 117.975 119.800 -0.084 0.000 2.291 11 Q HA -0.177 4.163 4.340 -0.001 0.000 0.206 11 Q C 0.709 176.538 176.000 -0.285 0.000 0.976 11 Q CA 1.424 57.116 55.803 -0.185 0.000 0.875 11 Q CB -0.818 27.742 28.738 -0.296 0.000 0.927 11 Q HN 0.312 nan 8.270 nan 0.000 0.450 12 Y N -0.072 120.140 120.300 -0.147 0.000 2.571 12 Y HA 0.470 5.020 4.550 -0.001 0.000 0.275 12 Y C 1.971 177.479 175.900 -0.654 0.000 1.179 12 Y CA -0.120 57.669 58.100 -0.520 0.000 1.242 12 Y CB 0.163 38.317 38.460 -0.511 0.000 1.126 12 Y HN 0.238 nan 8.280 nan 0.000 0.524 13 A N 1.238 123.935 122.820 -0.204 0.000 2.024 13 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 13 A C 1.940 179.446 177.584 -0.129 0.000 1.164 13 A CA 1.637 53.591 52.037 -0.138 0.000 0.643 13 A CB -1.075 17.903 19.000 -0.037 0.000 0.806 13 A HN 0.836 nan 8.150 nan 0.000 0.451 14 W N -0.149 121.135 121.300 -0.027 0.000 2.387 14 W HA -0.152 4.508 4.660 -0.001 0.000 0.272 14 W C 1.176 177.678 176.519 -0.029 0.000 1.224 14 W CA 0.866 58.193 57.345 -0.031 0.000 1.210 14 W CB -1.169 28.267 29.460 -0.039 0.000 1.125 14 W HN 0.271 nan 8.180 nan 0.000 0.572 15 L N 1.504 122.393 121.223 -0.557 0.000 2.127 15 L HA -0.192 4.147 4.340 -0.001 0.000 0.211 15 L C 2.683 179.446 176.870 -0.178 0.000 1.089 15 L CA 1.680 56.251 54.840 -0.449 0.000 0.757 15 L CB -0.661 41.012 42.059 -0.644 0.000 0.899 15 L HN -0.086 nan 8.230 nan 0.000 0.434 16 K N -0.048 120.262 120.400 -0.149 0.000 2.283 16 K HA -0.146 4.174 4.320 -0.001 0.000 0.202 16 K C 1.732 178.304 176.600 -0.046 0.000 1.048 16 K CA 0.867 57.094 56.287 -0.100 0.000 0.948 16 K CB -0.059 32.386 32.500 -0.092 0.000 0.742 16 K HN 0.409 nan 8.250 nan 0.000 0.458 17 E N 0.669 120.875 120.200 0.010 0.000 2.333 17 E HA -0.123 4.226 4.350 -0.001 0.000 0.198 17 E C 1.152 177.766 176.600 0.024 0.000 1.007 17 E CA 0.639 57.060 56.400 0.036 0.000 0.845 17 E CB 0.027 29.782 29.700 0.092 0.000 0.766 17 E HN 0.287 nan 8.360 nan 0.000 0.507 18 L N -0.436 120.795 121.223 0.014 0.000 2.653 18 L HA 0.216 4.556 4.340 -0.001 0.000 0.231 18 L C 1.206 178.038 176.870 -0.062 0.000 1.153 18 L CA 0.096 54.936 54.840 -0.000 0.000 0.933 18 L CB 0.331 42.408 42.059 0.030 0.000 1.175 18 L HN 0.218 nan 8.230 nan 0.000 0.473 19 G N 0.434 109.182 108.800 -0.087 0.000 2.162 19 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 19 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 19 G C 0.237 175.028 174.900 -0.182 0.000 0.976 19 G CA -0.072 44.942 45.100 -0.143 0.000 0.655 19 G HN 0.243 nan 8.290 nan 0.000 0.533 20 L N -0.179 120.950 121.223 -0.157 0.000 2.395 20 L HA 0.688 5.028 4.340 -0.001 0.000 0.269 20 L C 1.197 177.965 176.870 -0.170 0.000 1.133 20 L CA -0.509 54.227 54.840 -0.175 0.000 0.812 20 L CB 0.815 42.771 42.059 -0.171 0.000 1.125 20 L HN 0.243 nan 8.230 nan 0.000 0.452 21 R N 0.470 120.868 120.500 -0.169 0.000 2.987 21 R HA 0.206 4.546 4.340 -0.001 0.000 0.248 21 R C 0.570 176.782 176.300 -0.148 0.000 1.264 21 R CA -0.849 55.161 56.100 -0.149 0.000 1.026 21 R CB 1.033 31.252 30.300 -0.135 0.000 1.286 21 R HN 0.616 nan 8.270 nan 0.000 0.483 22 E N 1.007 121.130 120.200 -0.129 0.000 2.085 22 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 22 E C -0.213 176.316 176.600 -0.119 0.000 0.994 22 E CA 1.510 57.834 56.400 -0.126 0.000 0.801 22 E CB 0.286 29.924 29.700 -0.104 0.000 0.743 22 E HN 0.418 nan 8.360 nan 0.000 0.453 23 E N 0.200 120.338 120.200 -0.103 0.000 2.224 23 E HA 0.247 4.597 4.350 -0.001 0.000 0.265 23 E C -1.460 175.085 176.600 -0.091 0.000 0.878 23 E CA -0.758 55.589 56.400 -0.089 0.000 0.759 23 E CB 0.990 30.650 29.700 -0.066 0.000 1.164 23 E HN 0.135 nan 8.360 nan 0.000 0.414 24 N N 2.985 121.631 118.700 -0.090 0.000 2.319 24 N HA 0.218 4.958 4.740 -0.001 0.000 0.305 24 N C -1.038 174.452 175.510 -0.034 0.000 1.103 24 N CA -0.629 52.362 53.050 -0.099 0.000 0.815 24 N CB 1.726 40.139 38.487 -0.124 0.000 1.288 24 N HN 0.483 nan 8.380 nan 0.000 0.493 25 E N -0.112 120.088 120.200 0.001 0.000 2.316 25 E HA 0.238 4.588 4.350 -0.001 0.000 0.275 25 E C 0.705 177.460 176.600 0.258 0.000 1.029 25 E CA -0.230 56.261 56.400 0.152 0.000 0.871 25 E CB 0.770 30.636 29.700 0.276 0.000 1.022 25 E HN 0.752 nan 8.360 nan 0.000 0.418 26 G N 2.385 111.295 108.800 0.183 0.000 3.233 26 G HA2 0.149 4.108 3.960 -0.001 0.000 0.234 26 G HA3 0.149 4.108 3.960 -0.001 0.000 0.234 26 G C -0.163 174.810 174.900 0.121 0.000 1.137 26 G CA -0.114 45.072 45.100 0.143 0.000 0.763 26 G HN 0.304 nan 8.290 nan 0.000 0.549 27 V N 0.606 120.611 119.914 0.151 0.000 2.487 27 V HA 0.510 4.630 4.120 -0.001 0.000 0.298 27 V C -1.377 174.670 176.094 -0.078 0.000 1.028 27 V CA -1.086 61.235 62.300 0.035 0.000 0.860 27 V CB 1.477 33.314 31.823 0.023 0.000 0.991 27 V HN 0.233 nan 8.190 nan 0.000 0.427 28 Y N 5.227 125.266 120.300 -0.435 0.000 2.373 28 Y HA 0.609 5.158 4.550 -0.001 0.000 0.336 28 Y C 0.116 175.756 175.900 -0.433 0.000 0.979 28 Y CA -1.113 56.512 58.100 -0.792 0.000 1.080 28 Y CB 2.031 39.682 38.460 -1.347 0.000 1.190 28 Y HN 0.755 nan 8.280 nan 0.000 0.446 29 N N 2.599 120.668 118.700 -1.050 0.000 2.381 29 N HA 0.374 5.113 4.740 -0.001 0.000 0.257 29 N C 0.523 175.533 175.510 -0.833 0.000 1.409 29 N CA 0.158 52.747 53.050 -0.768 0.000 0.836 29 N CB 1.033 39.291 38.487 -0.382 0.000 1.384 29 N HN 0.951 nan 8.380 nan 0.000 0.490 30 G N -0.788 107.147 108.800 -1.442 0.000 2.424 30 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.207 30 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.207 30 G C -0.154 174.507 174.900 -0.400 0.000 1.061 30 G CA 0.141 44.832 45.100 -0.681 0.000 0.657 30 G HN 0.445 nan 8.290 nan 0.000 0.508 31 S N -0.410 115.042 115.700 -0.413 0.000 2.638 31 S HA 0.715 5.184 4.470 -0.001 0.000 0.302 31 S C -1.219 173.287 174.600 -0.156 0.000 1.096 31 S CA -0.535 57.595 58.200 -0.116 0.000 0.953 31 S CB 1.477 64.656 63.200 -0.035 0.000 1.107 31 S HN 0.370 nan 8.310 nan 0.000 0.503 32 W N 0.639 122.008 121.300 0.114 0.000 2.469 32 W HA 0.680 5.339 4.660 -0.001 0.000 0.320 32 W C 0.647 177.199 176.519 0.054 0.000 1.086 32 W CA 0.014 57.435 57.345 0.126 0.000 1.211 32 W CB 1.462 30.999 29.460 0.129 0.000 1.298 32 W HN 0.927 nan 8.180 nan 0.000 0.525 33 G N 0.097 109.063 108.800 0.275 0.000 2.578 33 G HA2 0.616 4.575 3.960 -0.001 0.000 0.302 33 G HA3 0.616 4.575 3.960 -0.001 0.000 0.302 33 G C -0.736 174.244 174.900 0.132 0.000 1.243 33 G CA -0.182 45.014 45.100 0.161 0.000 0.843 33 G HN 1.054 nan 8.290 nan 0.000 0.486 34 G N -0.974 107.874 108.800 0.080 0.000 2.151 34 G HA2 0.341 4.301 3.960 -0.001 0.000 0.183 34 G HA3 0.341 4.301 3.960 -0.001 0.000 0.183 34 G C -0.231 174.694 174.900 0.043 0.000 1.472 34 G CA -0.396 44.741 45.100 0.061 0.000 1.060 34 G HN 0.629 nan 8.290 nan 0.000 0.641 35 R N 0.721 121.243 120.500 0.036 0.000 2.397 35 R HA 0.276 4.616 4.340 -0.001 0.000 0.241 35 R C 1.664 177.977 176.300 0.022 0.000 0.914 35 R CA 0.415 56.531 56.100 0.027 0.000 1.071 35 R CB 1.019 31.335 30.300 0.026 0.000 1.116 35 R HN 0.592 nan 8.270 nan 0.000 0.524 36 G N 0.498 109.312 108.800 0.023 0.000 2.509 36 G HA2 0.113 4.073 3.960 -0.001 0.000 0.269 36 G HA3 0.113 4.073 3.960 -0.001 0.000 0.269 36 G C -0.524 174.383 174.900 0.012 0.000 1.416 36 G CA -0.598 44.513 45.100 0.017 0.000 1.052 36 G HN 0.088 nan 8.290 nan 0.000 0.542 37 E N -0.976 119.229 120.200 0.008 0.000 2.413 37 E HA 0.202 4.552 4.350 -0.001 0.000 0.263 37 E C -0.377 176.224 176.600 0.002 0.000 1.015 37 E CA -0.161 56.242 56.400 0.005 0.000 0.916 37 E CB 1.376 31.078 29.700 0.004 0.000 0.947 37 E HN 0.042 nan 8.360 nan 0.000 0.440 38 V N 5.135 125.048 119.914 -0.001 0.000 2.455 38 V HA 0.158 4.278 4.120 -0.001 0.000 0.273 38 V C 0.313 176.402 176.094 -0.009 0.000 1.045 38 V CA -0.057 62.238 62.300 -0.009 0.000 0.976 38 V CB 0.466 32.280 31.823 -0.014 0.000 0.993 38 V HN 0.555 nan 8.190 nan 0.000 0.475 39 I N 4.346 124.907 120.570 -0.015 0.000 2.437 39 I HA 0.465 4.634 4.170 -0.001 0.000 0.298 39 I C 0.163 176.257 176.117 -0.038 0.000 0.984 39 I CA 0.069 61.364 61.300 -0.008 0.000 1.214 39 I CB 1.843 39.841 38.000 -0.004 0.000 1.365 39 I HN 0.594 nan 8.210 nan 0.000 0.469 40 T N 4.928 119.463 114.554 -0.032 0.000 2.794 40 T HA 0.374 4.724 4.350 -0.001 0.000 0.280 40 T C -0.147 174.450 174.700 -0.170 0.000 0.987 40 T CA -0.495 61.510 62.100 -0.158 0.000 0.993 40 T CB 1.144 69.885 68.868 -0.211 0.000 0.939 40 T HN 0.716 nan 8.240 nan 0.000 0.449 41 T N 0.955 115.353 114.554 -0.261 0.000 2.929 41 T HA 0.701 5.050 4.350 -0.001 0.000 0.284 41 T C -1.006 173.452 174.700 -0.404 0.000 1.014 41 T CA -0.686 61.316 62.100 -0.164 0.000 1.051 41 T CB 0.706 69.523 68.868 -0.084 0.000 1.028 41 T HN 0.465 nan 8.240 nan 0.000 0.485 42 Y N -0.274 119.960 120.300 -0.109 0.000 2.485 42 Y HA 0.509 5.059 4.550 -0.000 0.000 0.345 42 Y C 0.634 176.473 175.900 -0.101 0.000 0.998 42 Y CA -1.261 56.774 58.100 -0.109 0.000 1.059 42 Y CB 1.584 39.979 38.460 -0.108 0.000 1.234 42 Y HN 1.004 nan 8.280 nan 0.000 0.461 43 C N 6.462 125.794 119.300 0.053 0.000 2.555 43 C HA 0.209 4.669 4.460 -0.001 0.000 0.385 43 C C -1.002 174.045 174.990 0.096 0.000 1.296 43 C CA -1.752 57.311 59.018 0.075 0.000 1.757 43 C CB -0.252 27.534 27.740 0.077 0.000 2.445 43 C HN 0.650 nan 8.230 nan 0.000 0.571 44 P HA -0.009 nan 4.420 nan 0.000 0.233 44 P C 1.110 178.400 177.300 -0.015 0.000 1.167 44 P CA 1.363 64.440 63.100 -0.038 0.000 0.770 44 P CB 0.028 31.656 31.700 -0.121 0.000 0.837 45 A N 1.232 124.112 122.820 0.101 0.000 2.016 45 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 45 A C 1.575 179.300 177.584 0.235 0.000 1.162 45 A CA 1.574 53.711 52.037 0.167 0.000 0.662 45 A CB -0.812 18.287 19.000 0.165 0.000 0.812 45 A HN 0.374 nan 8.150 nan 0.000 0.450 46 N N -3.437 115.383 118.700 0.201 0.000 2.036 46 N HA 0.014 4.754 4.740 -0.001 0.000 0.228 46 N C -0.082 175.500 175.510 0.121 0.000 1.368 46 N CA 0.258 53.410 53.050 0.170 0.000 0.846 46 N CB -0.332 38.281 38.487 0.209 0.000 1.145 46 N HN 0.168 nan 8.380 nan 0.000 0.502 47 N N 0.554 119.318 118.700 0.105 0.000 2.708 47 N HA -0.152 4.588 4.740 -0.001 0.000 0.251 47 N C -1.142 174.474 175.510 0.176 0.000 1.123 47 N CA 0.990 54.093 53.050 0.088 0.000 0.739 47 N CB -0.744 37.750 38.487 0.012 0.000 1.113 47 N HN 0.573 nan 8.380 nan 0.000 0.561 48 E N 0.793 121.088 120.200 0.158 0.000 2.277 48 E HA 0.306 4.656 4.350 -0.001 0.000 0.274 48 E C -2.093 174.533 176.600 0.043 0.000 1.022 48 E CA -1.494 54.976 56.400 0.116 0.000 0.853 48 E CB 1.001 30.720 29.700 0.031 0.000 1.086 48 E HN 0.136 nan 8.360 nan 0.000 0.397 49 P HA 0.165 nan 4.420 nan 0.000 0.276 49 P C 0.331 177.389 177.300 -0.402 0.000 1.230 49 P CA 0.066 62.836 63.100 -0.551 0.000 0.776 49 P CB 0.992 32.394 31.700 -0.497 0.000 0.888 50 I N 1.579 121.885 120.570 -0.441 0.000 2.499 50 I HA 0.216 4.386 4.170 -0.001 0.000 0.243 50 I C 1.257 177.176 176.117 -0.330 0.000 1.085 50 I CA 0.935 62.008 61.300 -0.379 0.000 1.422 50 I CB -0.106 37.691 38.000 -0.339 0.000 1.165 50 I HN 0.442 nan 8.210 nan 0.000 0.440 51 A N -0.094 122.543 122.820 -0.305 0.000 2.438 51 A HA 0.699 5.019 4.320 -0.001 0.000 0.301 51 A C -1.178 176.276 177.584 -0.216 0.000 1.101 51 A CA -0.695 51.198 52.037 -0.239 0.000 0.621 51 A CB 0.998 19.869 19.000 -0.214 0.000 1.350 51 A HN 0.028 nan 8.150 nan 0.000 0.496 52 R N -0.732 119.670 120.500 -0.163 0.000 2.803 52 R HA 0.730 5.070 4.340 -0.001 0.000 0.276 52 R C -1.656 174.586 176.300 -0.097 0.000 0.978 52 R CA -0.773 55.252 56.100 -0.126 0.000 0.939 52 R CB 2.307 32.546 30.300 -0.102 0.000 1.179 52 R HN 0.465 nan 8.270 nan 0.000 0.472 53 V N 2.441 122.312 119.914 -0.072 0.000 2.577 53 V HA 0.373 4.492 4.120 -0.001 0.000 0.303 53 V C -0.264 175.815 176.094 -0.024 0.000 1.042 53 V CA -0.951 61.320 62.300 -0.048 0.000 0.872 53 V CB 1.927 33.720 31.823 -0.050 0.000 0.998 53 V HN 0.643 nan 8.190 nan 0.000 0.423 54 R N 3.702 124.199 120.500 -0.005 0.000 2.288 54 R HA 0.332 4.672 4.340 -0.001 0.000 0.330 54 R C -0.020 176.294 176.300 0.023 0.000 1.069 54 R CA -0.222 55.884 56.100 0.011 0.000 0.941 54 R CB 0.677 30.991 30.300 0.024 0.000 0.998 54 R HN 0.683 nan 8.270 nan 0.000 0.452 55 Q N 1.004 120.812 119.800 0.013 0.000 2.316 55 Q HA 0.356 4.696 4.340 -0.001 0.000 0.215 55 Q C -0.085 175.931 176.000 0.027 0.000 1.020 55 Q CA -0.620 55.192 55.803 0.014 0.000 0.970 55 Q CB 0.831 29.571 28.738 0.004 0.000 1.187 55 Q HN 0.633 nan 8.270 nan 0.000 0.546 56 A N 1.180 124.019 122.820 0.032 0.000 2.409 56 A HA 0.319 4.639 4.320 -0.001 0.000 0.267 56 A C 0.137 177.749 177.584 0.047 0.000 1.127 56 A CA -0.338 51.730 52.037 0.051 0.000 0.795 56 A CB 0.003 19.051 19.000 0.080 0.000 1.061 56 A HN 0.656 nan 8.150 nan 0.000 0.502 57 S N 2.068 117.797 115.700 0.049 0.000 2.655 57 S HA 0.309 4.779 4.470 -0.001 0.000 0.265 57 S C 1.220 175.861 174.600 0.070 0.000 1.240 57 S CA -0.109 58.117 58.200 0.043 0.000 0.986 57 S CB 0.706 63.927 63.200 0.036 0.000 0.985 57 S HN 0.668 nan 8.310 nan 0.000 0.562 58 V N 1.494 121.441 119.914 0.055 0.000 2.287 58 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 58 V C 3.038 179.205 176.094 0.121 0.000 1.053 58 V CA 2.477 64.826 62.300 0.081 0.000 1.027 58 V CB -1.875 29.973 31.823 0.042 0.000 0.646 58 V HN 1.010 nan 8.190 nan 0.000 0.447 59 A N -0.195 122.669 122.820 0.074 0.000 1.940 59 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 59 A C 2.000 179.617 177.584 0.056 0.000 1.176 59 A CA 2.101 54.173 52.037 0.059 0.000 0.631 59 A CB -0.643 18.379 19.000 0.036 0.000 0.814 59 A HN 0.576 nan 8.150 nan 0.000 0.446 60 D N -1.684 118.753 120.400 0.063 0.000 2.117 60 D HA -0.166 4.474 4.640 -0.001 0.000 0.197 60 D C 1.691 178.021 176.300 0.051 0.000 0.987 60 D CA 1.662 55.689 54.000 0.045 0.000 0.829 60 D CB -0.479 40.352 40.800 0.051 0.000 0.961 60 D HN 0.645 nan 8.370 nan 0.000 0.460 61 Y N 2.084 122.381 120.300 -0.005 0.000 2.145 61 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 61 Y C 2.166 178.065 175.900 -0.001 0.000 1.145 61 Y CA 1.576 59.675 58.100 -0.001 0.000 1.148 61 Y CB 0.043 38.508 38.460 0.008 0.000 0.981 61 Y HN -0.176 nan 8.280 nan 0.000 0.507 62 E N 0.518 120.738 120.200 0.033 0.000 2.058 62 E HA -0.276 4.074 4.350 -0.001 0.000 0.194 62 E C 2.143 178.681 176.600 -0.103 0.000 0.997 62 E CA 1.609 57.986 56.400 -0.039 0.000 0.801 62 E CB -0.435 29.297 29.700 0.054 0.000 0.746 62 E HN 0.724 nan 8.360 nan 0.000 0.450 63 E N 0.141 120.300 120.200 -0.069 0.000 2.077 63 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 63 E C 1.826 178.355 176.600 -0.118 0.000 0.989 63 E CA 1.628 57.984 56.400 -0.073 0.000 0.800 63 E CB 0.121 29.790 29.700 -0.052 0.000 0.746 63 E HN 0.112 nan 8.360 nan 0.000 0.452 64 T N 0.409 114.867 114.554 -0.159 0.000 2.770 64 T HA -0.096 4.254 4.350 -0.001 0.000 0.263 64 T C 1.963 176.540 174.700 -0.205 0.000 1.039 64 T CA 1.179 63.169 62.100 -0.184 0.000 1.142 64 T CB -0.191 68.571 68.868 -0.177 0.000 0.868 64 T HN 0.022 nan 8.240 nan 0.000 0.435 65 V N 1.750 121.474 119.914 -0.316 0.000 2.282 65 V HA -0.258 3.862 4.120 -0.001 0.000 0.249 65 V C 2.444 178.457 176.094 -0.135 0.000 1.057 65 V CA 1.758 63.896 62.300 -0.269 0.000 1.032 65 V CB -0.541 31.045 31.823 -0.394 0.000 0.645 65 V HN 0.486 nan 8.190 nan 0.000 0.447 66 K N -0.140 120.191 120.400 -0.116 0.000 2.057 66 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 66 K C 2.258 178.835 176.600 -0.039 0.000 1.049 66 K CA 1.490 57.742 56.287 -0.057 0.000 0.931 66 K CB -0.240 32.233 32.500 -0.047 0.000 0.714 66 K HN 0.423 nan 8.250 nan 0.000 0.440 67 K N 0.444 120.806 120.400 -0.065 0.000 2.097 67 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 67 K C 2.233 178.811 176.600 -0.037 0.000 1.050 67 K CA 1.115 57.366 56.287 -0.059 0.000 0.938 67 K CB -0.119 32.318 32.500 -0.105 0.000 0.718 67 K HN 0.127 nan 8.250 nan 0.000 0.442 68 A N 1.880 124.673 122.820 -0.044 0.000 1.902 68 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 68 A C 2.034 179.674 177.584 0.092 0.000 1.181 68 A CA 1.262 53.302 52.037 0.005 0.000 0.623 68 A CB -0.309 18.684 19.000 -0.011 0.000 0.818 68 A HN 0.150 nan 8.150 nan 0.000 0.443 69 R N -0.346 120.196 120.500 0.070 0.000 2.092 69 R HA -0.077 4.263 4.340 -0.001 0.000 0.231 69 R C 1.830 178.250 176.300 0.200 0.000 1.119 69 R CA 1.187 57.364 56.100 0.128 0.000 0.970 69 R CB -0.550 29.781 30.300 0.052 0.000 0.864 69 R HN 0.544 nan 8.270 nan 0.000 0.440 70 E N 0.914 121.185 120.200 0.120 0.000 2.072 70 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 70 E C 1.983 178.658 176.600 0.126 0.000 0.985 70 E CA 1.244 57.710 56.400 0.111 0.000 0.801 70 E CB -0.171 29.561 29.700 0.053 0.000 0.750 70 E HN 0.271 nan 8.360 nan 0.000 0.452 71 A N 0.493 123.380 122.820 0.111 0.000 1.972 71 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 71 A C 1.994 179.685 177.584 0.178 0.000 1.169 71 A CA 1.323 53.422 52.037 0.102 0.000 0.635 71 A CB -1.089 17.938 19.000 0.045 0.000 0.810 71 A HN 0.442 nan 8.150 nan 0.000 0.446 72 W N 1.210 122.573 121.300 0.104 0.000 2.325 72 W HA -0.228 4.431 4.660 -0.001 0.000 0.299 72 W C 1.917 178.535 176.519 0.165 0.000 1.215 72 W CA 2.255 59.704 57.345 0.173 0.000 1.244 72 W CB -0.035 29.507 29.460 0.136 0.000 1.140 72 W HN 0.295 nan 8.180 nan 0.000 0.523 73 K N -0.362 120.051 120.400 0.022 0.000 2.097 73 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 73 K C 1.903 178.368 176.600 -0.224 0.000 1.049 73 K CA 1.834 58.015 56.287 -0.177 0.000 0.933 73 K CB -0.438 32.088 32.500 0.044 0.000 0.717 73 K HN 0.281 nan 8.250 nan 0.000 0.442 74 I N -0.145 120.376 120.570 -0.082 0.000 2.233 74 I HA -0.227 3.943 4.170 -0.001 0.000 0.243 74 I C 2.372 178.469 176.117 -0.034 0.000 1.093 74 I CA 0.922 62.200 61.300 -0.037 0.000 1.380 74 I CB -0.270 37.755 38.000 0.040 0.000 1.067 74 I HN 0.389 nan 8.210 nan 0.000 0.413 75 W N 2.093 123.258 121.300 -0.225 0.000 2.381 75 W HA -0.192 4.467 4.660 -0.001 0.000 0.301 75 W C 2.384 178.732 176.519 -0.286 0.000 1.205 75 W CA 1.345 58.576 57.345 -0.189 0.000 1.285 75 W CB 0.096 29.498 29.460 -0.096 0.000 1.133 75 W HN 0.121 nan 8.180 nan 0.000 0.521 76 A N 0.286 122.763 122.820 -0.572 0.000 2.121 76 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 76 A C 1.385 178.693 177.584 -0.460 0.000 1.154 76 A CA 1.812 53.442 52.037 -0.679 0.000 0.679 76 A CB -0.736 17.508 19.000 -1.260 0.000 0.795 76 A HN 0.206 nan 8.150 nan 0.000 0.458 77 D N -0.368 119.804 120.400 -0.380 0.000 2.347 77 D HA 0.110 4.749 4.640 -0.001 0.000 0.213 77 D C 0.417 176.579 176.300 -0.230 0.000 0.985 77 D CA 0.279 54.129 54.000 -0.250 0.000 0.879 77 D CB -0.044 40.648 40.800 -0.181 0.000 0.919 77 D HN 0.452 nan 8.370 nan 0.000 0.526 78 I N 2.323 122.710 120.570 -0.306 0.000 2.471 78 I HA 0.109 4.278 4.170 -0.001 0.000 0.286 78 I C -2.040 173.881 176.117 -0.327 0.000 1.079 78 I CA -1.884 59.234 61.300 -0.303 0.000 1.398 78 I CB 0.766 38.541 38.000 -0.375 0.000 1.403 78 I HN -0.332 nan 8.210 nan 0.000 0.530 79 P HA -0.083 nan 4.420 nan 0.000 0.264 79 P C 0.419 177.574 177.300 -0.241 0.000 1.179 79 P CA 0.168 63.149 63.100 -0.197 0.000 0.763 79 P CB 0.747 32.364 31.700 -0.138 0.000 0.806 80 A N 6.176 128.865 122.820 -0.218 0.000 1.892 80 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 80 A C -0.432 177.040 177.584 -0.187 0.000 1.188 80 A CA 1.955 53.858 52.037 -0.224 0.000 0.631 80 A CB -2.419 16.465 19.000 -0.193 0.000 0.822 80 A HN 0.491 nan 8.150 nan 0.000 0.447 81 P HA -0.132 nan 4.420 nan 0.000 0.218 81 P C 1.145 178.385 177.300 -0.101 0.000 1.148 81 P CA 1.446 64.475 63.100 -0.118 0.000 0.822 81 P CB -0.036 31.604 31.700 -0.100 0.000 0.784 82 K N -0.626 119.703 120.400 -0.119 0.000 2.155 82 K HA -0.011 4.308 4.320 -0.001 0.000 0.203 82 K C 2.191 178.738 176.600 -0.089 0.000 1.052 82 K CA 0.840 57.072 56.287 -0.092 0.000 0.948 82 K CB -0.145 32.295 32.500 -0.100 0.000 0.728 82 K HN 0.084 nan 8.250 nan 0.000 0.448 83 R N 0.068 120.445 120.500 -0.204 0.000 2.081 83 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 83 R C 2.459 178.784 176.300 0.042 0.000 1.131 83 R CA 1.367 57.354 56.100 -0.188 0.000 0.960 83 R CB -0.482 29.510 30.300 -0.512 0.000 0.856 83 R HN 0.274 nan 8.270 nan 0.000 0.436 84 G N 1.138 109.920 108.800 -0.029 0.000 2.432 84 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.219 84 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.219 84 G C 1.328 176.240 174.900 0.020 0.000 1.135 84 G CA 0.803 45.900 45.100 -0.006 0.000 0.767 84 G HN 0.265 nan 8.290 nan 0.000 0.550 85 E N 0.822 121.030 120.200 0.015 0.000 2.077 85 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 85 E C 2.424 179.062 176.600 0.062 0.000 0.989 85 E CA 0.670 57.086 56.400 0.027 0.000 0.800 85 E CB -0.316 29.393 29.700 0.016 0.000 0.746 85 E HN 0.317 nan 8.360 nan 0.000 0.452 86 I N 0.314 120.954 120.570 0.117 0.000 2.226 86 I HA -0.212 3.957 4.170 -0.001 0.000 0.245 86 I C 2.371 178.557 176.117 0.115 0.000 1.100 86 I CA 0.813 62.204 61.300 0.152 0.000 1.374 86 I CB -1.272 36.902 38.000 0.290 0.000 1.057 86 I HN 0.072 nan 8.210 nan 0.000 0.413 87 V N 0.943 120.933 119.914 0.127 0.000 2.407 87 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 87 V C 2.766 178.888 176.094 0.047 0.000 1.055 87 V CA 1.719 64.074 62.300 0.091 0.000 1.049 87 V CB -0.819 31.068 31.823 0.106 0.000 0.662 87 V HN 0.397 nan 8.190 nan 0.000 0.455 88 R N -0.108 120.415 120.500 0.039 0.000 2.091 88 R HA -0.232 4.107 4.340 -0.001 0.000 0.238 88 R C 2.380 178.685 176.300 0.009 0.000 1.136 88 R CA 2.045 58.157 56.100 0.020 0.000 0.959 88 R CB -0.209 30.100 30.300 0.015 0.000 0.856 88 R HN 0.599 nan 8.270 nan 0.000 0.437 89 Q N 0.001 119.812 119.800 0.018 0.000 2.119 89 Q HA -0.134 4.206 4.340 -0.001 0.000 0.201 89 Q C 2.226 178.220 176.000 -0.009 0.000 0.972 89 Q CA 1.522 57.331 55.803 0.010 0.000 0.847 89 Q CB -0.060 28.692 28.738 0.024 0.000 0.903 89 Q HN 0.444 nan 8.270 nan 0.000 0.433 90 I N 0.410 120.972 120.570 -0.014 0.000 2.208 90 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 90 I C 2.342 178.381 176.117 -0.130 0.000 1.097 90 I CA 1.253 62.515 61.300 -0.064 0.000 1.363 90 I CB -0.661 37.309 38.000 -0.051 0.000 1.051 90 I HN 0.290 nan 8.210 nan 0.000 0.413 91 G N 0.393 109.135 108.800 -0.097 0.000 2.446 91 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 91 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 91 G C 1.293 176.148 174.900 -0.073 0.000 1.168 91 G CA 1.066 46.106 45.100 -0.099 0.000 0.771 91 G HN 0.288 nan 8.290 nan 0.000 0.551 92 D N 0.824 121.198 120.400 -0.042 0.000 2.144 92 D HA 0.014 4.654 4.640 -0.001 0.000 0.200 92 D C 2.811 179.091 176.300 -0.033 0.000 0.978 92 D CA 1.073 55.057 54.000 -0.027 0.000 0.833 92 D CB -0.359 40.433 40.800 -0.012 0.000 0.961 92 D HN 0.301 nan 8.370 nan 0.000 0.470 93 A N 0.615 123.410 122.820 -0.042 0.000 1.902 93 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 93 A C 2.371 179.926 177.584 -0.048 0.000 1.181 93 A CA 0.867 52.882 52.037 -0.036 0.000 0.623 93 A CB -0.718 18.263 19.000 -0.031 0.000 0.818 93 A HN 0.196 nan 8.150 nan 0.000 0.443 94 L N -1.290 119.877 121.223 -0.094 0.000 2.056 94 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 94 L C 2.798 179.639 176.870 -0.048 0.000 1.078 94 L CA 1.422 56.203 54.840 -0.098 0.000 0.749 94 L CB -0.469 41.461 42.059 -0.215 0.000 0.901 94 L HN 0.332 nan 8.230 nan 0.000 0.433 95 R N 0.133 120.607 120.500 -0.043 0.000 2.103 95 R HA -0.223 4.117 4.340 -0.001 0.000 0.242 95 R C 2.171 178.465 176.300 -0.010 0.000 1.142 95 R CA 1.779 57.868 56.100 -0.018 0.000 0.960 95 R CB -0.212 30.079 30.300 -0.014 0.000 0.858 95 R HN 0.438 nan 8.270 nan 0.000 0.439 96 E N -0.280 119.913 120.200 -0.011 0.000 2.204 96 E HA -0.137 4.213 4.350 -0.001 0.000 0.194 96 E C 0.959 177.560 176.600 0.001 0.000 0.989 96 E CA 0.936 57.334 56.400 -0.004 0.000 0.824 96 E CB 0.234 29.932 29.700 -0.004 0.000 0.756 96 E HN 0.183 nan 8.360 nan 0.000 0.477 97 K N 0.087 120.489 120.400 0.003 0.000 2.478 97 K HA 0.190 4.510 4.320 -0.001 0.000 0.205 97 K C 1.349 177.961 176.600 0.018 0.000 1.033 97 K CA -0.183 56.113 56.287 0.016 0.000 1.091 97 K CB 0.515 33.030 32.500 0.025 0.000 0.844 97 K HN 0.071 nan 8.250 nan 0.000 0.507 98 I N 1.174 121.750 120.570 0.009 0.000 2.208 98 I HA -0.344 3.826 4.170 -0.001 0.000 0.245 98 I C 1.965 178.085 176.117 0.005 0.000 1.097 98 I CA 1.546 62.854 61.300 0.014 0.000 1.363 98 I CB 0.341 38.348 38.000 0.012 0.000 1.051 98 I HN 0.256 nan 8.210 nan 0.000 0.413 99 Q N 0.050 119.840 119.800 -0.015 0.000 2.046 99 Q HA -0.142 4.198 4.340 -0.001 0.000 0.200 99 Q C 2.355 178.301 176.000 -0.091 0.000 0.975 99 Q CA 2.213 57.984 55.803 -0.053 0.000 0.836 99 Q CB -0.764 27.934 28.738 -0.067 0.000 0.896 99 Q HN 0.656 nan 8.270 nan 0.000 0.428 100 V N -1.274 118.610 119.914 -0.050 0.000 2.453 100 V HA -0.148 3.971 4.120 -0.001 0.000 0.247 100 V C 2.248 178.388 176.094 0.077 0.000 1.048 100 V CA 1.236 63.528 62.300 -0.013 0.000 1.049 100 V CB -0.950 30.955 31.823 0.135 0.000 0.672 100 V HN 0.137 nan 8.190 nan 0.000 0.457 101 L N 2.599 123.867 121.223 0.075 0.000 2.056 101 L HA 0.182 4.522 4.340 -0.001 0.000 0.207 101 L C 2.477 179.399 176.870 0.087 0.000 1.078 101 L CA 2.244 57.146 54.840 0.102 0.000 0.749 101 L CB -1.470 40.645 42.059 0.093 0.000 0.901 101 L HN 0.339 nan 8.230 nan 0.000 0.433 102 G N -1.629 107.197 108.800 0.045 0.000 2.440 102 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 102 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 102 G C 1.598 176.514 174.900 0.027 0.000 1.154 102 G CA 0.956 46.079 45.100 0.039 0.000 0.767 102 G HN 0.479 nan 8.290 nan 0.000 0.552 103 S N 0.193 115.856 115.700 -0.062 0.000 2.368 103 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 103 S C 2.152 176.815 174.600 0.105 0.000 1.030 103 S CA 1.144 59.246 58.200 -0.164 0.000 0.999 103 S CB -0.261 62.473 63.200 -0.777 0.000 0.844 103 S HN 0.276 nan 8.310 nan 0.000 0.459 104 L N 1.979 123.356 121.223 0.257 0.000 2.046 104 L HA -0.016 4.324 4.340 -0.001 0.000 0.208 104 L C 2.140 179.117 176.870 0.177 0.000 1.077 104 L CA 1.512 56.532 54.840 0.301 0.000 0.747 104 L CB -0.748 41.456 42.059 0.243 0.000 0.896 104 L HN 0.121 nan 8.230 nan 0.000 0.432 105 V N -0.989 119.009 119.914 0.141 0.000 2.332 105 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 105 V C 2.771 178.944 176.094 0.133 0.000 1.055 105 V CA 1.928 64.297 62.300 0.115 0.000 1.038 105 V CB -0.981 30.893 31.823 0.085 0.000 0.651 105 V HN 0.641 nan 8.190 nan 0.000 0.450 106 S N -0.534 115.262 115.700 0.159 0.000 2.382 106 S HA -0.166 4.304 4.470 -0.001 0.000 0.228 106 S C 1.884 176.686 174.600 0.336 0.000 1.027 106 S CA 1.809 60.150 58.200 0.235 0.000 0.991 106 S CB -0.263 63.106 63.200 0.282 0.000 0.823 106 S HN 0.423 nan 8.310 nan 0.000 0.469 107 L N 1.468 122.849 121.223 0.262 0.000 2.044 107 L HA 0.144 4.484 4.340 -0.001 0.000 0.205 107 L C 2.359 179.314 176.870 0.141 0.000 1.075 107 L CA 2.191 57.129 54.840 0.164 0.000 0.747 107 L CB -0.633 41.437 42.059 0.019 0.000 0.903 107 L HN 0.380 nan 8.230 nan 0.000 0.435 108 E N -1.526 118.743 120.200 0.115 0.000 2.190 108 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 108 E C 2.065 178.778 176.600 0.188 0.000 0.978 108 E CA 0.558 57.017 56.400 0.098 0.000 0.839 108 E CB 0.060 29.798 29.700 0.063 0.000 0.787 108 E HN 0.415 nan 8.360 nan 0.000 0.473 109 M N -0.967 118.760 119.600 0.212 0.000 2.429 109 M HA 0.107 4.587 4.480 -0.001 0.000 0.265 109 M C 1.183 177.649 176.300 0.278 0.000 1.120 109 M CA 1.942 57.416 55.300 0.290 0.000 1.173 109 M CB 0.750 33.432 32.600 0.137 0.000 1.343 109 M HN 0.253 nan 8.290 nan 0.000 0.464 110 G N 2.017 110.920 108.800 0.171 0.000 2.168 110 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.197 110 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.197 110 G C 0.043 174.952 174.900 0.015 0.000 0.997 110 G CA 0.393 45.554 45.100 0.103 0.000 0.658 110 G HN 0.603 nan 8.290 nan 0.000 0.513 111 K N 1.032 121.440 120.400 0.014 0.000 2.126 111 K HA 0.692 5.011 4.320 -0.001 0.000 0.257 111 K C 1.227 177.837 176.600 0.018 0.000 1.007 111 K CA -0.523 55.742 56.287 -0.038 0.000 0.928 111 K CB 1.319 33.764 32.500 -0.092 0.000 1.013 111 K HN 0.732 nan 8.250 nan 0.000 0.473 112 I N -0.128 120.443 120.570 0.002 0.000 2.836 112 I HA -0.062 4.107 4.170 -0.001 0.000 0.285 112 I C 1.182 177.338 176.117 0.065 0.000 1.174 112 I CA -0.726 60.596 61.300 0.036 0.000 1.405 112 I CB 0.380 38.397 38.000 0.029 0.000 1.385 112 I HN 0.709 nan 8.210 nan 0.000 0.594 113 L N 5.012 126.286 121.223 0.085 0.000 2.043 113 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 113 L C 2.162 179.069 176.870 0.060 0.000 1.075 113 L CA 1.940 56.830 54.840 0.084 0.000 0.752 113 L CB -0.495 41.614 42.059 0.083 0.000 0.891 113 L HN 0.726 nan 8.230 nan 0.000 0.432 114 V N -0.642 119.308 119.914 0.059 0.000 2.490 114 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 114 V C 2.359 178.498 176.094 0.076 0.000 1.061 114 V CA 2.115 64.451 62.300 0.060 0.000 1.064 114 V CB -0.289 31.570 31.823 0.059 0.000 0.670 114 V HN 0.632 nan 8.190 nan 0.000 0.461 115 E N -0.280 119.968 120.200 0.080 0.000 2.158 115 E HA -0.028 4.322 4.350 -0.001 0.000 0.191 115 E C 2.152 178.793 176.600 0.068 0.000 0.982 115 E CA 0.872 57.324 56.400 0.088 0.000 0.823 115 E CB -0.414 29.325 29.700 0.066 0.000 0.766 115 E HN 0.692 nan 8.360 nan 0.000 0.468 116 G N 1.438 110.271 108.800 0.055 0.000 2.459 116 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 116 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 116 G C 1.764 176.703 174.900 0.066 0.000 1.183 116 G CA 0.817 45.951 45.100 0.057 0.000 0.776 116 G HN 0.107 nan 8.290 nan 0.000 0.552 117 V N 1.652 121.601 119.914 0.057 0.000 2.287 117 V HA -0.114 4.006 4.120 -0.001 0.000 0.248 117 V C 3.155 179.291 176.094 0.070 0.000 1.053 117 V CA 2.122 64.454 62.300 0.052 0.000 1.027 117 V CB -1.105 30.739 31.823 0.035 0.000 0.646 117 V HN 0.462 nan 8.190 nan 0.000 0.447 118 G N -1.269 107.580 108.800 0.082 0.000 2.432 118 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 118 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 118 G C 1.527 176.500 174.900 0.122 0.000 1.135 118 G CA 0.883 46.044 45.100 0.101 0.000 0.767 118 G HN 0.553 nan 8.290 nan 0.000 0.550 119 E N -0.222 120.054 120.200 0.127 0.000 2.051 119 E HA -0.099 4.251 4.350 -0.001 0.000 0.192 119 E C 2.754 179.428 176.600 0.123 0.000 0.991 119 E CA 1.029 57.509 56.400 0.134 0.000 0.799 119 E CB -0.027 29.748 29.700 0.125 0.000 0.748 119 E HN 0.296 nan 8.360 nan 0.000 0.449 120 V N 0.930 120.915 119.914 0.118 0.000 2.343 120 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 120 V C 2.431 178.598 176.094 0.120 0.000 1.051 120 V CA 1.956 64.334 62.300 0.129 0.000 1.036 120 V CB -0.562 31.317 31.823 0.093 0.000 0.654 120 V HN 0.248 nan 8.190 nan 0.000 0.451 121 Q N 0.318 120.177 119.800 0.098 0.000 2.124 121 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 121 Q C 2.161 178.233 176.000 0.120 0.000 0.977 121 Q CA 1.771 57.628 55.803 0.089 0.000 0.850 121 Q CB -0.294 28.488 28.738 0.074 0.000 0.901 121 Q HN 0.658 nan 8.270 nan 0.000 0.429 122 E N -1.037 119.250 120.200 0.145 0.000 2.085 122 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 122 E C 1.690 178.435 176.600 0.243 0.000 0.994 122 E CA 1.204 57.718 56.400 0.190 0.000 0.801 122 E CB -0.336 29.491 29.700 0.210 0.000 0.743 122 E HN 0.437 nan 8.360 nan 0.000 0.453 123 Y N 1.621 121.944 120.300 0.039 0.000 2.181 123 Y HA -0.182 4.368 4.550 -0.001 0.000 0.288 123 Y C 2.272 178.198 175.900 0.043 0.000 1.146 123 Y CA 0.576 58.686 58.100 0.016 0.000 1.164 123 Y CB -0.615 37.830 38.460 -0.024 0.000 0.982 123 Y HN -0.206 nan 8.280 nan 0.000 0.515 124 V N 0.668 120.664 119.914 0.136 0.000 2.287 124 V HA -0.315 3.804 4.120 -0.001 0.000 0.248 124 V C 2.205 178.355 176.094 0.094 0.000 1.053 124 V CA 2.301 64.624 62.300 0.039 0.000 1.027 124 V CB -0.656 31.180 31.823 0.021 0.000 0.646 124 V HN 0.285 nan 8.190 nan 0.000 0.447 125 D N -0.457 120.015 120.400 0.119 0.000 2.117 125 D HA -0.138 4.502 4.640 -0.001 0.000 0.197 125 D C 1.914 178.298 176.300 0.140 0.000 0.987 125 D CA 1.208 55.273 54.000 0.109 0.000 0.829 125 D CB -0.252 40.599 40.800 0.087 0.000 0.961 125 D HN 0.425 nan 8.370 nan 0.000 0.460 126 I N 0.453 121.133 120.570 0.183 0.000 2.394 126 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 126 I C 1.988 178.244 176.117 0.231 0.000 1.136 126 I CA 0.753 62.173 61.300 0.200 0.000 1.425 126 I CB -0.103 38.041 38.000 0.241 0.000 1.079 126 I HN -0.010 nan 8.210 nan 0.000 0.425 127 C N 0.538 119.963 119.300 0.209 0.000 2.432 127 C HA -0.163 4.296 4.460 -0.001 0.000 0.277 127 C C 2.391 177.449 174.990 0.113 0.000 1.249 127 C CA 1.087 60.192 59.018 0.144 0.000 1.725 127 C CB -1.190 26.593 27.740 0.071 0.000 2.028 127 C HN 0.512 nan 8.230 nan 0.000 0.477 128 D N -0.832 119.635 120.400 0.112 0.000 2.144 128 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 128 D C 1.696 178.066 176.300 0.117 0.000 0.984 128 D CA 1.222 55.276 54.000 0.089 0.000 0.834 128 D CB -0.479 40.369 40.800 0.080 0.000 0.955 128 D HN 0.679 nan 8.370 nan 0.000 0.465 129 Y N 1.502 121.811 120.300 0.015 0.000 2.200 129 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 129 Y C 2.226 178.118 175.900 -0.014 0.000 1.137 129 Y CA 1.574 59.674 58.100 0.001 0.000 1.163 129 Y CB -0.252 38.211 38.460 0.005 0.000 0.988 129 Y HN -0.066 nan 8.280 nan 0.000 0.518 130 A N -0.589 122.288 122.820 0.095 0.000 2.015 130 A HA -0.101 4.219 4.320 -0.001 0.000 0.219 130 A C 2.268 179.800 177.584 -0.087 0.000 1.163 130 A CA 1.617 53.639 52.037 -0.025 0.000 0.646 130 A CB -1.238 17.800 19.000 0.064 0.000 0.806 130 A HN 0.354 nan 8.150 nan 0.000 0.448 131 V N -0.058 119.828 119.914 -0.047 0.000 2.287 131 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 131 V C 2.808 178.836 176.094 -0.111 0.000 1.053 131 V CA 2.138 64.403 62.300 -0.058 0.000 1.027 131 V CB -1.438 30.370 31.823 -0.024 0.000 0.646 131 V HN 0.593 nan 8.190 nan 0.000 0.447 132 G N -0.552 108.161 108.800 -0.145 0.000 2.402 132 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 132 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 132 G C 1.551 176.302 174.900 -0.249 0.000 1.162 132 G CA 0.880 45.872 45.100 -0.180 0.000 0.777 132 G HN 0.419 nan 8.290 nan 0.000 0.539 133 L N 2.078 123.094 121.223 -0.345 0.000 2.131 133 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 133 L C 3.023 179.688 176.870 -0.343 0.000 1.092 133 L CA 2.173 56.774 54.840 -0.398 0.000 0.759 133 L CB -0.506 41.270 42.059 -0.472 0.000 0.903 133 L HN 0.348 nan 8.230 nan 0.000 0.435 134 S N -1.224 114.325 115.700 -0.252 0.000 2.500 134 S HA -0.149 4.320 4.470 -0.001 0.000 0.239 134 S C 1.878 176.354 174.600 -0.207 0.000 0.989 134 S CA 0.700 58.769 58.200 -0.219 0.000 0.951 134 S CB -0.485 62.625 63.200 -0.151 0.000 0.759 134 S HN 0.574 nan 8.310 nan 0.000 0.523 135 R N -0.449 119.933 120.500 -0.196 0.000 2.362 135 R HA 0.410 4.750 4.340 -0.001 0.000 0.227 135 R C 1.222 177.415 176.300 -0.178 0.000 0.905 135 R CA 0.262 56.264 56.100 -0.163 0.000 1.067 135 R CB 0.013 30.237 30.300 -0.125 0.000 1.078 135 R HN 0.509 nan 8.270 nan 0.000 0.516 136 M N 0.259 119.711 119.600 -0.245 0.000 2.470 136 M HA 0.211 4.691 4.480 -0.001 0.000 0.262 136 M C 0.613 176.707 176.300 -0.343 0.000 1.211 136 M CA -0.018 55.134 55.300 -0.247 0.000 1.125 136 M CB 0.478 32.935 32.600 -0.237 0.000 1.480 136 M HN -0.018 nan 8.290 nan 0.000 0.541 137 I N 0.768 121.006 120.570 -0.553 0.000 2.775 137 I HA 0.539 4.709 4.170 -0.001 0.000 0.290 137 I C 0.374 176.178 176.117 -0.521 0.000 1.203 137 I CA 0.126 60.846 61.300 -0.967 0.000 1.433 137 I CB -0.225 37.022 38.000 -1.256 0.000 1.354 137 I HN 0.258 nan 8.210 nan 0.000 0.579 138 G N 3.071 111.636 108.800 -0.393 0.000 2.356 138 G HA2 0.489 4.449 3.960 -0.001 0.000 0.288 138 G HA3 0.489 4.449 3.960 -0.001 0.000 0.288 138 G C -0.998 174.104 174.900 0.337 0.000 1.302 138 G CA -0.383 44.779 45.100 0.103 0.000 0.887 138 G HN 1.073 nan 8.290 nan 0.000 0.521 139 G N -0.651 108.425 108.800 0.458 0.000 2.818 139 G HA2 0.889 4.848 3.960 -0.001 0.000 0.286 139 G HA3 0.889 4.848 3.960 -0.001 0.000 0.286 139 G C -2.804 172.246 174.900 0.250 0.000 1.364 139 G CA -0.967 44.415 45.100 0.471 0.000 0.938 139 G HN 0.666 nan 8.290 nan 0.000 0.490 140 P HA 0.418 nan 4.420 nan 0.000 0.277 140 P C -0.716 176.645 177.300 0.102 0.000 1.240 140 P CA -0.324 62.853 63.100 0.128 0.000 0.798 140 P CB 1.608 33.376 31.700 0.112 0.000 0.979 141 I N 2.166 122.783 120.570 0.077 0.000 2.325 141 I HA 0.237 4.407 4.170 -0.001 0.000 0.291 141 I C 0.481 176.633 176.117 0.059 0.000 1.019 141 I CA -0.368 60.970 61.300 0.063 0.000 1.302 141 I CB 0.392 38.422 38.000 0.051 0.000 1.401 141 I HN 0.097 nan 8.210 nan 0.000 0.485 142 L N 7.935 129.192 121.223 0.058 0.000 2.330 142 L HA 0.582 4.921 4.340 -0.001 0.000 0.271 142 L C -2.283 174.617 176.870 0.050 0.000 1.013 142 L CA -1.924 52.947 54.840 0.051 0.000 0.816 142 L CB 1.589 43.676 42.059 0.046 0.000 1.287 142 L HN 0.360 nan 8.230 nan 0.000 0.435 143 P HA 0.104 nan 4.420 nan 0.000 0.286 143 P C -0.527 176.794 177.300 0.035 0.000 1.321 143 P CA -0.252 62.874 63.100 0.043 0.000 0.790 143 P CB 1.359 33.080 31.700 0.034 0.000 0.897 144 S N 2.116 117.843 115.700 0.045 0.000 2.576 144 S HA 0.021 4.491 4.470 -0.001 0.000 0.276 144 S C 1.419 176.016 174.600 -0.005 0.000 1.339 144 S CA -0.388 57.824 58.200 0.020 0.000 1.039 144 S CB 0.350 63.573 63.200 0.037 0.000 0.902 144 S HN 0.544 nan 8.310 nan 0.000 0.516 145 E N 3.191 123.371 120.200 -0.035 0.000 2.418 145 E HA -0.040 4.310 4.350 -0.001 0.000 0.197 145 E C 0.002 176.553 176.600 -0.082 0.000 1.026 145 E CA 0.474 56.846 56.400 -0.047 0.000 0.862 145 E CB 0.033 29.703 29.700 -0.050 0.000 0.799 145 E HN 0.496 nan 8.360 nan 0.000 0.518 146 R N 2.009 122.426 120.500 -0.138 0.000 2.229 146 R HA 0.230 4.569 4.340 -0.001 0.000 0.328 146 R C -0.248 175.994 176.300 -0.097 0.000 1.009 146 R CA -0.307 55.645 56.100 -0.247 0.000 0.864 146 R CB 1.522 31.399 30.300 -0.705 0.000 1.085 146 R HN 0.118 nan 8.270 nan 0.000 0.453 147 S N 1.259 116.938 115.700 -0.034 0.000 2.572 147 S HA 0.258 4.727 4.470 -0.001 0.000 0.279 147 S C 1.233 175.875 174.600 0.070 0.000 1.341 147 S CA 0.024 58.240 58.200 0.025 0.000 1.043 147 S CB 1.193 64.402 63.200 0.015 0.000 0.887 147 S HN 0.948 nan 8.310 nan 0.000 0.516 148 G N 1.214 109.984 108.800 -0.050 0.000 2.179 148 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.257 148 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.257 148 G C -0.252 174.068 174.900 -0.967 0.000 1.010 148 G CA 0.723 45.527 45.100 -0.494 0.000 0.736 148 G HN 1.067 nan 8.290 nan 0.000 0.513 149 H N -0.350 118.424 119.070 -0.494 0.000 2.637 149 H HA 0.758 5.313 4.556 -0.001 0.000 0.363 149 H C 0.384 175.754 175.328 0.070 0.000 1.131 149 H CA 0.123 56.009 56.048 -0.270 0.000 1.183 149 H CB 1.815 31.500 29.762 -0.128 0.000 1.637 149 H HN 0.550 nan 8.280 nan 0.000 0.531 150 A N 2.112 125.118 122.820 0.310 0.000 2.295 150 A HA 0.620 4.940 4.320 -0.001 0.000 0.318 150 A C -1.126 176.551 177.584 0.155 0.000 1.134 150 A CA -0.534 51.653 52.037 0.250 0.000 0.827 150 A CB 0.567 19.706 19.000 0.232 0.000 1.136 150 A HN 0.503 nan 8.150 nan 0.000 0.493 151 L N 3.104 124.394 121.223 0.111 0.000 2.404 151 L HA 0.724 5.064 4.340 -0.001 0.000 0.272 151 L C -0.799 176.108 176.870 0.061 0.000 0.980 151 L CA -0.319 54.565 54.840 0.074 0.000 0.836 151 L CB 1.250 43.342 42.059 0.056 0.000 1.238 151 L HN 0.670 nan 8.230 nan 0.000 0.408 152 I N 0.799 121.398 120.570 0.049 0.000 2.545 152 I HA 0.614 4.784 4.170 -0.001 0.000 0.292 152 I C -0.915 175.218 176.117 0.027 0.000 1.040 152 I CA -0.653 60.675 61.300 0.047 0.000 1.068 152 I CB 2.143 40.172 38.000 0.048 0.000 1.251 152 I HN 0.708 nan 8.210 nan 0.000 0.424 153 E N 5.250 125.477 120.200 0.045 0.000 2.109 153 E HA 0.277 4.627 4.350 -0.001 0.000 0.278 153 E C -1.078 175.540 176.600 0.030 0.000 0.954 153 E CA -0.615 55.790 56.400 0.008 0.000 0.779 153 E CB 1.021 30.762 29.700 0.069 0.000 1.093 153 E HN 0.547 nan 8.360 nan 0.000 0.401 154 Q N 3.243 122.993 119.800 -0.083 0.000 2.257 154 Q HA 0.334 4.674 4.340 -0.001 0.000 0.262 154 Q C -1.263 174.624 176.000 -0.188 0.000 0.997 154 Q CA -0.400 55.398 55.803 -0.008 0.000 0.873 154 Q CB 1.529 30.269 28.738 0.004 0.000 1.312 154 Q HN 0.523 nan 8.270 nan 0.000 0.450 155 W N 1.198 122.575 121.300 0.129 0.000 2.739 155 W HA 0.458 5.118 4.660 -0.001 0.000 0.331 155 W C 0.083 176.691 176.519 0.147 0.000 1.049 155 W CA -0.408 57.044 57.345 0.179 0.000 1.234 155 W CB 1.410 31.064 29.460 0.323 0.000 1.404 155 W HN 0.342 nan 8.180 nan 0.000 0.477 156 N N 2.639 121.549 118.700 0.349 0.000 2.321 156 N HA 0.451 5.191 4.740 -0.001 0.000 0.290 156 N C -2.819 172.887 175.510 0.327 0.000 1.212 156 N CA -1.746 51.471 53.050 0.279 0.000 0.767 156 N CB 2.402 41.008 38.487 0.199 0.000 1.494 156 N HN -0.079 nan 8.380 nan 0.000 0.479 157 P HA -0.024 nan 4.420 nan 0.000 0.267 157 P C 1.247 178.717 177.300 0.284 0.000 1.200 157 P CA -0.147 63.186 63.100 0.388 0.000 0.772 157 P CB 0.630 32.679 31.700 0.581 0.000 0.855 158 V N -0.282 119.758 119.914 0.211 0.000 2.719 158 V HA 0.222 4.342 4.120 -0.001 0.000 0.252 158 V C 1.240 177.256 176.094 -0.131 0.000 1.065 158 V CA 1.743 64.085 62.300 0.069 0.000 1.086 158 V CB -1.403 30.471 31.823 0.086 0.000 0.700 158 V HN 0.839 nan 8.190 nan 0.000 0.467 159 G N 0.586 109.269 108.800 -0.195 0.000 2.039 159 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.207 159 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.207 159 G C -0.647 174.080 174.900 -0.289 0.000 1.133 159 G CA -0.123 44.535 45.100 -0.737 0.000 1.296 159 G HN 0.755 nan 8.290 nan 0.000 0.459 160 L N 2.169 123.286 121.223 -0.178 0.000 2.265 160 L HA 0.753 5.092 4.340 -0.001 0.000 0.288 160 L C 0.033 176.940 176.870 0.061 0.000 1.058 160 L CA -0.740 54.096 54.840 -0.007 0.000 0.809 160 L CB 1.511 43.560 42.059 -0.017 0.000 1.179 160 L HN 0.519 nan 8.230 nan 0.000 0.429 161 V N 5.796 125.790 119.914 0.133 0.000 2.318 161 V HA 0.542 4.661 4.120 -0.001 0.000 0.271 161 V C 0.917 177.116 176.094 0.176 0.000 1.030 161 V CA -0.378 62.024 62.300 0.170 0.000 0.844 161 V CB 0.704 32.678 31.823 0.253 0.000 1.015 161 V HN 0.931 nan 8.190 nan 0.000 0.460 162 G N 5.157 114.058 108.800 0.168 0.000 2.390 162 G HA2 0.641 4.601 3.960 -0.001 0.000 0.270 162 G HA3 0.641 4.601 3.960 -0.001 0.000 0.270 162 G C -0.638 174.396 174.900 0.224 0.000 1.211 162 G CA -0.341 44.880 45.100 0.202 0.000 0.842 162 G HN 0.661 nan 8.290 nan 0.000 0.519 163 I N 2.315 123.049 120.570 0.274 0.000 2.468 163 I HA 0.308 4.477 4.170 -0.001 0.000 0.284 163 I C -0.509 175.819 176.117 0.352 0.000 1.038 163 I CA -0.404 61.062 61.300 0.276 0.000 1.083 163 I CB 1.897 40.042 38.000 0.242 0.000 1.223 163 I HN 0.218 nan 8.210 nan 0.000 0.443 164 I N 5.669 126.395 120.570 0.259 0.000 2.354 164 I HA 0.450 4.620 4.170 -0.001 0.000 0.292 164 I C 0.235 176.373 176.117 0.035 0.000 0.989 164 I CA -0.280 61.142 61.300 0.203 0.000 1.188 164 I CB 2.041 40.188 38.000 0.244 0.000 1.342 164 I HN 0.580 nan 8.210 nan 0.000 0.457 165 T N 2.473 117.090 114.554 0.105 0.000 2.916 165 T HA 0.832 5.182 4.350 -0.001 0.000 0.292 165 T C -0.240 174.446 174.700 -0.024 0.000 1.055 165 T CA -0.838 61.290 62.100 0.047 0.000 1.009 165 T CB 1.977 71.004 68.868 0.265 0.000 1.118 165 T HN 0.585 nan 8.240 nan 0.000 0.497 166 A N 1.103 123.874 122.820 -0.081 0.000 2.257 166 A HA 0.633 4.953 4.320 -0.001 0.000 0.289 166 A C 0.878 178.428 177.584 -0.058 0.000 1.095 166 A CA -0.770 51.205 52.037 -0.104 0.000 0.836 166 A CB -0.188 18.682 19.000 -0.216 0.000 1.111 166 A HN 1.154 nan 8.150 nan 0.000 0.497 167 F N 0.805 120.706 119.950 -0.081 0.000 2.234 167 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 167 F C 1.714 177.385 175.800 -0.215 0.000 1.087 167 F CA 1.441 59.335 58.000 -0.177 0.000 1.340 167 F CB -0.516 38.265 39.000 -0.364 0.000 1.031 167 F HN 0.537 nan 8.300 nan 0.000 0.500 168 N N 0.170 118.328 118.700 -0.903 0.000 2.376 168 N HA -0.106 4.634 4.740 -0.001 0.000 0.177 168 N C -0.174 174.921 175.510 -0.691 0.000 1.024 168 N CA 0.626 53.194 53.050 -0.804 0.000 0.893 168 N CB -0.709 37.301 38.487 -0.795 0.000 0.980 168 N HN 0.384 nan 8.380 nan 0.000 0.439 169 F N 1.280 121.099 119.950 -0.218 0.000 2.531 169 F HA 0.436 4.962 4.527 -0.001 0.000 0.333 169 F C -1.705 174.016 175.800 -0.132 0.000 1.292 169 F CA -2.081 55.811 58.000 -0.179 0.000 1.184 169 F CB 1.811 40.655 39.000 -0.261 0.000 1.426 169 F HN -0.078 nan 8.300 nan 0.000 0.559 170 P HA -0.023 nan 4.420 nan 0.000 0.237 170 P C 1.100 178.533 177.300 0.222 0.000 1.178 170 P CA 0.901 64.077 63.100 0.127 0.000 0.766 170 P CB 0.812 32.572 31.700 0.100 0.000 0.876 171 V N -0.112 119.877 119.914 0.125 0.000 2.911 171 V HA 0.157 4.276 4.120 -0.001 0.000 0.237 171 V C 2.647 178.662 176.094 -0.133 0.000 1.156 171 V CA 1.340 63.712 62.300 0.120 0.000 1.180 171 V CB -1.086 30.836 31.823 0.166 0.000 0.932 171 V HN 0.001 nan 8.190 nan 0.000 0.483 172 A N 0.100 122.777 122.820 -0.239 0.000 1.929 172 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 172 A C 2.300 179.111 177.584 -1.288 0.000 1.176 172 A CA 1.858 53.485 52.037 -0.683 0.000 0.628 172 A CB -0.518 18.111 19.000 -0.618 0.000 0.816 172 A HN 0.280 nan 8.150 nan 0.000 0.444 173 V N -1.245 118.082 119.914 -0.977 0.000 2.307 173 V HA -0.272 3.848 4.120 -0.001 0.000 0.245 173 V C 2.347 178.119 176.094 -0.536 0.000 1.045 173 V CA 2.106 63.900 62.300 -0.844 0.000 1.024 173 V CB -1.055 30.543 31.823 -0.375 0.000 0.651 173 V HN 0.708 nan 8.190 nan 0.000 0.449 174 Y N 2.045 121.989 120.300 -0.593 0.000 2.114 174 Y HA -0.228 4.322 4.550 -0.001 0.000 0.282 174 Y C 2.322 177.712 175.900 -0.850 0.000 1.165 174 Y CA 1.798 59.409 58.100 -0.815 0.000 1.148 174 Y CB -1.020 36.590 38.460 -1.417 0.000 0.972 174 Y HN 0.189 nan 8.280 nan 0.000 0.504 175 G N -0.365 107.685 108.800 -1.250 0.000 2.446 175 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.217 175 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.217 175 G C 1.358 175.769 174.900 -0.815 0.000 1.168 175 G CA 0.996 44.989 45.100 -1.846 0.000 0.771 175 G HN 0.527 nan 8.290 nan 0.000 0.551 176 W N 1.314 122.301 121.300 -0.522 0.000 2.338 176 W HA -0.013 4.647 4.660 -0.001 0.000 0.304 176 W C 2.422 178.760 176.519 -0.301 0.000 1.212 176 W CA 0.692 57.856 57.345 -0.302 0.000 1.264 176 W CB -1.063 28.272 29.460 -0.209 0.000 1.142 176 W HN 0.233 nan 8.180 nan 0.000 0.512 177 N N 0.133 118.757 118.700 -0.126 0.000 2.142 177 N HA -0.170 4.570 4.740 -0.001 0.000 0.186 177 N C 1.611 176.926 175.510 -0.325 0.000 1.023 177 N CA 1.217 54.191 53.050 -0.128 0.000 0.852 177 N CB -0.872 37.591 38.487 -0.040 0.000 0.998 177 N HN 0.303 nan 8.380 nan 0.000 0.424 178 N N 1.604 119.953 118.700 -0.584 0.000 2.058 178 N HA -0.122 4.618 4.740 -0.001 0.000 0.191 178 N C 1.722 177.100 175.510 -0.219 0.000 1.037 178 N CA 1.468 54.205 53.050 -0.521 0.000 0.848 178 N CB -0.018 37.901 38.487 -0.946 0.000 1.021 178 N HN 0.091 nan 8.380 nan 0.000 0.422 179 A N 1.688 124.421 122.820 -0.145 0.000 1.883 179 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 179 A C 2.292 179.856 177.584 -0.033 0.000 1.186 179 A CA 1.095 53.142 52.037 0.015 0.000 0.624 179 A CB -0.493 18.579 19.000 0.121 0.000 0.822 179 A HN 0.364 nan 8.150 nan 0.000 0.444 180 I N -0.271 120.214 120.570 -0.141 0.000 2.233 180 I HA -0.169 4.001 4.170 -0.001 0.000 0.243 180 I C 2.981 178.916 176.117 -0.305 0.000 1.093 180 I CA 1.347 62.508 61.300 -0.231 0.000 1.380 180 I CB -1.669 36.111 38.000 -0.368 0.000 1.067 180 I HN 0.358 nan 8.210 nan 0.000 0.413 181 A N 1.006 123.578 122.820 -0.413 0.000 1.908 181 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 181 A C 2.356 180.024 177.584 0.140 0.000 1.181 181 A CA 1.608 53.581 52.037 -0.106 0.000 0.627 181 A CB -0.484 18.542 19.000 0.042 0.000 0.818 181 A HN 0.263 nan 8.150 nan 0.000 0.445 182 M N -0.045 119.644 119.600 0.148 0.000 2.065 182 M HA -0.158 4.321 4.480 -0.001 0.000 0.259 182 M C 2.389 178.914 176.300 0.374 0.000 1.069 182 M CA 2.071 57.605 55.300 0.390 0.000 1.110 182 M CB -1.301 31.475 32.600 0.293 0.000 1.328 182 M HN 0.723 nan 8.290 nan 0.000 0.405 183 I N -2.191 118.471 120.570 0.153 0.000 2.454 183 I HA -0.199 3.970 4.170 -0.001 0.000 0.254 183 I C 1.945 178.047 176.117 -0.026 0.000 1.156 183 I CA 1.202 62.517 61.300 0.024 0.000 1.433 183 I CB -0.873 37.098 38.000 -0.048 0.000 1.082 183 I HN 0.115 nan 8.210 nan 0.000 0.432 184 C N 2.449 121.778 119.300 0.050 0.000 2.546 184 C HA 0.406 4.866 4.460 -0.001 0.000 0.275 184 C C 1.877 176.964 174.990 0.160 0.000 1.393 184 C CA 0.430 59.507 59.018 0.099 0.000 1.703 184 C CB -1.666 26.201 27.740 0.212 0.000 1.710 184 C HN 0.923 nan 8.230 nan 0.000 0.581 185 G N 1.659 110.541 108.800 0.136 0.000 2.136 185 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.242 185 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.242 185 G C -0.288 174.922 174.900 0.516 0.000 0.989 185 G CA -0.203 44.947 45.100 0.084 0.000 0.682 185 G HN 0.556 nan 8.290 nan 0.000 0.522 186 N N -0.173 118.899 118.700 0.620 0.000 2.492 186 N HA 0.589 5.329 4.740 -0.001 0.000 0.289 186 N C 0.597 176.475 175.510 0.612 0.000 1.133 186 N CA 0.225 53.655 53.050 0.634 0.000 0.961 186 N CB 2.313 41.046 38.487 0.411 0.000 1.186 186 N HN 0.657 nan 8.380 nan 0.000 0.493 187 V N -1.664 118.549 119.914 0.498 0.000 2.863 187 V HA 0.620 4.739 4.120 -0.001 0.000 0.307 187 V C 0.052 176.246 176.094 0.165 0.000 1.061 187 V CA -0.649 61.780 62.300 0.215 0.000 1.024 187 V CB 1.016 32.963 31.823 0.207 0.000 1.049 187 V HN 0.614 nan 8.190 nan 0.000 0.471 188 C N 4.094 123.462 119.300 0.113 0.000 2.561 188 C HA 0.817 5.277 4.460 -0.001 0.000 0.319 188 C C -0.433 174.661 174.990 0.175 0.000 1.198 188 C CA -0.493 58.621 59.018 0.160 0.000 1.665 188 C CB 0.912 28.755 27.740 0.173 0.000 2.258 188 C HN 0.968 nan 8.230 nan 0.000 0.493 189 L N 3.073 124.422 121.223 0.210 0.000 2.372 189 L HA 0.649 4.989 4.340 -0.001 0.000 0.274 189 L C -1.391 175.680 176.870 0.335 0.000 0.988 189 L CA -0.170 54.800 54.840 0.216 0.000 0.833 189 L CB 0.758 42.905 42.059 0.146 0.000 1.236 189 L HN 0.819 nan 8.230 nan 0.000 0.410 190 W N 6.216 127.574 121.300 0.096 0.000 2.433 190 W HA 0.510 5.170 4.660 -0.001 0.000 0.315 190 W C -0.760 175.774 176.519 0.024 0.000 1.087 190 W CA -1.048 56.323 57.345 0.043 0.000 1.205 190 W CB 1.156 30.490 29.460 -0.211 0.000 1.288 190 W HN 0.598 nan 8.180 nan 0.000 0.504 191 K N 5.230 125.789 120.400 0.265 0.000 2.575 191 K HA 0.452 4.771 4.320 -0.001 0.000 0.236 191 K C 0.224 176.780 176.600 -0.073 0.000 0.976 191 K CA -0.351 55.940 56.287 0.006 0.000 0.985 191 K CB 0.346 32.907 32.500 0.102 0.000 1.198 191 K HN 0.710 nan 8.250 nan 0.000 0.464 192 G N 1.663 110.179 108.800 -0.473 0.000 2.621 192 G HA2 0.435 4.395 3.960 -0.001 0.000 0.271 192 G HA3 0.435 4.395 3.960 -0.001 0.000 0.271 192 G C -0.496 174.349 174.900 -0.093 0.000 1.236 192 G CA -0.601 44.328 45.100 -0.285 0.000 0.958 192 G HN 0.679 nan 8.290 nan 0.000 0.512 193 A N 0.275 123.094 122.820 -0.002 0.000 2.477 193 A HA 0.468 4.788 4.320 -0.001 0.000 0.246 193 A C -0.943 176.657 177.584 0.027 0.000 1.078 193 A CA -0.728 51.343 52.037 0.056 0.000 0.770 193 A CB 0.456 19.543 19.000 0.145 0.000 1.011 193 A HN 0.384 nan 8.150 nan 0.000 0.494 194 P HA -0.139 nan 4.420 nan 0.000 0.218 194 P C 1.431 178.755 177.300 0.039 0.000 1.148 194 P CA 2.065 65.175 63.100 0.017 0.000 0.822 194 P CB -0.116 31.599 31.700 0.025 0.000 0.784 195 T N -4.798 109.816 114.554 0.100 0.000 3.160 195 T HA -0.007 4.342 4.350 -0.001 0.000 0.257 195 T C 0.955 175.759 174.700 0.172 0.000 1.147 195 T CA 1.138 63.318 62.100 0.134 0.000 1.064 195 T CB -1.249 67.743 68.868 0.206 0.000 0.949 195 T HN 0.202 nan 8.240 nan 0.000 0.526 196 T N -2.092 112.534 114.554 0.119 0.000 3.380 196 T HA 0.401 4.751 4.350 -0.001 0.000 0.289 196 T C 1.356 176.042 174.700 -0.023 0.000 1.012 196 T CA -0.430 61.719 62.100 0.081 0.000 0.944 196 T CB 0.090 69.024 68.868 0.110 0.000 1.172 196 T HN 0.113 nan 8.240 nan 0.000 0.502 197 S N 1.353 117.024 115.700 -0.049 0.000 2.382 197 S HA 0.028 4.498 4.470 -0.001 0.000 0.228 197 S C 1.798 176.333 174.600 -0.107 0.000 1.027 197 S CA 0.978 59.113 58.200 -0.108 0.000 0.991 197 S CB -0.376 62.776 63.200 -0.081 0.000 0.823 197 S HN 0.528 nan 8.310 nan 0.000 0.469 198 L N 0.799 121.977 121.223 -0.075 0.000 2.093 198 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 198 L C 2.152 178.995 176.870 -0.045 0.000 1.085 198 L CA 1.025 55.821 54.840 -0.073 0.000 0.755 198 L CB -0.574 41.434 42.059 -0.085 0.000 0.904 198 L HN 0.285 nan 8.230 nan 0.000 0.435 199 I N -0.709 119.852 120.570 -0.016 0.000 2.226 199 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 199 I C 2.582 178.706 176.117 0.011 0.000 1.100 199 I CA 1.238 62.562 61.300 0.039 0.000 1.374 199 I CB -0.247 37.803 38.000 0.083 0.000 1.057 199 I HN 0.176 nan 8.210 nan 0.000 0.413 200 S N 0.253 115.846 115.700 -0.178 0.000 2.368 200 S HA -0.132 4.338 4.470 -0.001 0.000 0.225 200 S C 2.113 176.566 174.600 -0.245 0.000 1.030 200 S CA 1.188 59.055 58.200 -0.555 0.000 0.999 200 S CB -0.368 62.195 63.200 -1.062 0.000 0.844 200 S HN 0.223 nan 8.310 nan 0.000 0.459 201 V N 2.221 122.066 119.914 -0.115 0.000 2.295 201 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 201 V C 2.719 178.853 176.094 0.066 0.000 1.049 201 V CA 1.723 64.045 62.300 0.037 0.000 1.024 201 V CB -1.311 30.508 31.823 -0.006 0.000 0.648 201 V HN 0.546 nan 8.190 nan 0.000 0.447 202 A N -0.210 122.627 122.820 0.028 0.000 1.883 202 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 202 A C 2.400 180.053 177.584 0.116 0.000 1.186 202 A CA 2.309 54.373 52.037 0.046 0.000 0.624 202 A CB -0.789 18.243 19.000 0.052 0.000 0.822 202 A HN 0.341 nan 8.150 nan 0.000 0.444 203 V N -0.357 119.675 119.914 0.198 0.000 2.343 203 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 203 V C 2.738 179.000 176.094 0.281 0.000 1.051 203 V CA 2.447 64.924 62.300 0.294 0.000 1.036 203 V CB -1.232 30.890 31.823 0.498 0.000 0.654 203 V HN 0.621 nan 8.190 nan 0.000 0.451 204 T N -0.502 114.225 114.554 0.288 0.000 2.746 204 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 204 T C 1.999 176.791 174.700 0.152 0.000 1.039 204 T CA 1.109 63.345 62.100 0.228 0.000 1.142 204 T CB -0.205 68.791 68.868 0.214 0.000 0.866 204 T HN 0.345 nan 8.240 nan 0.000 0.444 205 K N 0.836 121.357 120.400 0.201 0.000 2.063 205 K HA 0.003 4.323 4.320 -0.001 0.000 0.208 205 K C 2.237 178.867 176.600 0.051 0.000 1.048 205 K CA 1.079 57.431 56.287 0.109 0.000 0.928 205 K CB -0.562 31.916 32.500 -0.037 0.000 0.713 205 K HN 0.398 nan 8.250 nan 0.000 0.442 206 I N 0.773 121.380 120.570 0.062 0.000 2.179 206 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 206 I C 2.321 178.459 176.117 0.036 0.000 1.088 206 I CA 1.167 62.492 61.300 0.040 0.000 1.357 206 I CB -0.220 37.804 38.000 0.041 0.000 1.051 206 I HN 0.046 nan 8.210 nan 0.000 0.409 207 I N 0.552 121.160 120.570 0.063 0.000 2.252 207 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 207 I C 2.790 178.925 176.117 0.030 0.000 1.102 207 I CA 1.170 62.506 61.300 0.061 0.000 1.385 207 I CB -0.513 37.567 38.000 0.134 0.000 1.064 207 I HN 0.162 nan 8.210 nan 0.000 0.414 208 A N 0.929 123.730 122.820 -0.032 0.000 1.917 208 A HA -0.311 4.009 4.320 -0.001 0.000 0.219 208 A C 2.393 180.001 177.584 0.039 0.000 1.182 208 A CA 2.260 54.248 52.037 -0.081 0.000 0.633 208 A CB -0.622 18.138 19.000 -0.400 0.000 0.819 208 A HN 0.403 nan 8.150 nan 0.000 0.448 209 K N -0.443 119.978 120.400 0.035 0.000 2.057 209 K HA -0.077 4.242 4.320 -0.001 0.000 0.207 209 K C 1.794 178.420 176.600 0.045 0.000 1.049 209 K CA 1.523 57.838 56.287 0.047 0.000 0.931 209 K CB -0.244 32.275 32.500 0.032 0.000 0.714 209 K HN 0.241 nan 8.250 nan 0.000 0.440 210 V N 1.787 121.722 119.914 0.036 0.000 2.295 210 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 210 V C 2.328 178.448 176.094 0.044 0.000 1.049 210 V CA 1.589 63.909 62.300 0.034 0.000 1.024 210 V CB -0.364 31.475 31.823 0.025 0.000 0.648 210 V HN 0.315 nan 8.190 nan 0.000 0.447 211 L N -0.352 120.898 121.223 0.045 0.000 2.017 211 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 211 L C 2.589 179.497 176.870 0.063 0.000 1.073 211 L CA 1.827 56.693 54.840 0.043 0.000 0.745 211 L CB -0.692 41.388 42.059 0.035 0.000 0.894 211 L HN 0.367 nan 8.230 nan 0.000 0.432 212 E N 0.032 120.282 120.200 0.083 0.000 2.085 212 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 212 E C 1.738 178.377 176.600 0.064 0.000 0.994 212 E CA 1.410 57.861 56.400 0.085 0.000 0.801 212 E CB -0.091 29.673 29.700 0.107 0.000 0.743 212 E HN 0.437 nan 8.360 nan 0.000 0.453 213 D N 0.295 120.729 120.400 0.056 0.000 2.218 213 D HA -0.081 4.559 4.640 -0.001 0.000 0.204 213 D C 1.071 177.398 176.300 0.045 0.000 0.976 213 D CA 0.706 54.733 54.000 0.045 0.000 0.853 213 D CB -0.163 40.660 40.800 0.038 0.000 0.939 213 D HN 0.110 nan 8.370 nan 0.000 0.481 214 N N 0.675 119.406 118.700 0.052 0.000 2.268 214 N HA 0.012 4.752 4.740 -0.001 0.000 0.204 214 N C -0.243 175.303 175.510 0.061 0.000 1.124 214 N CA 0.056 53.141 53.050 0.058 0.000 0.838 214 N CB 0.504 39.035 38.487 0.075 0.000 0.994 214 N HN 0.174 nan 8.380 nan 0.000 0.489 215 K N 0.362 120.794 120.400 0.054 0.000 3.035 215 K HA -0.176 4.144 4.320 -0.001 0.000 0.262 215 K C -0.606 176.028 176.600 0.056 0.000 1.024 215 K CA 0.554 56.871 56.287 0.050 0.000 0.748 215 K CB -1.706 30.819 32.500 0.041 0.000 1.247 215 K HN 0.262 nan 8.250 nan 0.000 0.482 216 L N 1.031 122.290 121.223 0.061 0.000 2.331 216 L HA 0.448 4.787 4.340 -0.001 0.000 0.275 216 L C -1.734 175.153 176.870 0.028 0.000 1.022 216 L CA -2.478 52.397 54.840 0.060 0.000 0.812 216 L CB 0.925 43.027 42.059 0.072 0.000 1.257 216 L HN -0.120 nan 8.230 nan 0.000 0.435 217 P HA -0.008 nan 4.420 nan 0.000 0.264 217 P C 0.630 177.902 177.300 -0.046 0.000 1.193 217 P CA -0.001 63.087 63.100 -0.020 0.000 0.763 217 P CB 0.960 32.648 31.700 -0.021 0.000 0.810 218 G N 3.237 112.011 108.800 -0.044 0.000 2.448 218 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 218 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 218 G C 1.462 176.296 174.900 -0.109 0.000 1.127 218 G CA 0.657 45.767 45.100 0.017 0.000 0.766 218 G HN 0.602 nan 8.290 nan 0.000 0.552 219 A N 0.467 123.160 122.820 -0.212 0.000 2.216 219 A HA 0.166 4.486 4.320 -0.001 0.000 0.214 219 A C 2.196 179.724 177.584 -0.093 0.000 1.160 219 A CA 0.569 52.497 52.037 -0.182 0.000 0.725 219 A CB -0.311 18.590 19.000 -0.164 0.000 0.784 219 A HN 0.409 nan 8.150 nan 0.000 0.472 220 I N -0.967 119.526 120.570 -0.129 0.000 2.264 220 I HA -0.265 3.905 4.170 -0.001 0.000 0.248 220 I C 0.367 176.400 176.117 -0.140 0.000 1.111 220 I CA 0.685 61.841 61.300 -0.241 0.000 1.382 220 I CB -0.183 37.472 38.000 -0.574 0.000 1.060 220 I HN 0.311 nan 8.210 nan 0.000 0.418 221 C N 1.080 120.368 119.300 -0.021 0.000 3.169 221 C HA 0.384 4.844 4.460 -0.001 0.000 0.232 221 C C 0.688 175.797 174.990 0.198 0.000 1.316 221 C CA -0.934 58.159 59.018 0.124 0.000 1.545 221 C CB -0.913 26.925 27.740 0.163 0.000 1.785 221 C HN 0.179 nan 8.230 nan 0.000 0.454 222 S N 1.516 117.291 115.700 0.126 0.000 2.592 222 S HA 0.607 5.076 4.470 -0.001 0.000 0.271 222 S C -0.380 174.308 174.600 0.147 0.000 1.326 222 S CA -0.255 57.991 58.200 0.076 0.000 1.024 222 S CB 1.023 64.213 63.200 -0.017 0.000 0.921 222 S HN 0.603 nan 8.310 nan 0.000 0.527 223 L N 2.490 123.757 121.223 0.074 0.000 2.410 223 L HA 0.607 4.947 4.340 -0.001 0.000 0.270 223 L C -0.510 176.361 176.870 0.001 0.000 0.983 223 L CA -0.067 54.802 54.840 0.048 0.000 0.822 223 L CB 1.979 44.037 42.059 -0.002 0.000 1.285 223 L HN 0.741 nan 8.230 nan 0.000 0.409 224 T N 0.981 115.545 114.554 0.017 0.000 3.141 224 T HA 0.348 4.698 4.350 -0.001 0.000 0.377 224 T C -0.074 174.625 174.700 -0.002 0.000 1.258 224 T CA -0.453 61.670 62.100 0.039 0.000 1.263 224 T CB -0.306 68.645 68.868 0.139 0.000 1.066 224 T HN 0.622 nan 8.240 nan 0.000 0.546 225 C N 2.804 122.075 119.300 -0.049 0.000 2.596 225 C HA 0.692 5.152 4.460 -0.001 0.000 0.414 225 C C 1.521 176.494 174.990 -0.028 0.000 1.396 225 C CA 0.854 59.824 59.018 -0.082 0.000 1.698 225 C CB -0.949 26.743 27.740 -0.081 0.000 2.572 225 C HN 1.242 nan 8.230 nan 0.000 0.604 226 G N 2.085 110.866 108.800 -0.031 0.000 2.340 226 G HA2 0.611 4.571 3.960 -0.001 0.000 0.299 226 G HA3 0.611 4.571 3.960 -0.001 0.000 0.299 226 G C -0.461 174.439 174.900 -0.001 0.000 1.291 226 G CA 0.126 45.221 45.100 -0.009 0.000 0.841 226 G HN 0.967 nan 8.290 nan 0.000 0.500 227 G N -1.357 107.448 108.800 0.007 0.000 3.099 227 G HA2 0.643 4.602 3.960 -0.001 0.000 0.151 227 G HA3 0.643 4.602 3.960 -0.001 0.000 0.151 227 G C 1.536 176.452 174.900 0.027 0.000 1.265 227 G CA 0.863 45.977 45.100 0.023 0.000 0.981 227 G HN 1.610 nan 8.290 nan 0.000 0.601 228 A N 0.278 123.116 122.820 0.030 0.000 1.978 228 A HA -0.076 4.244 4.320 -0.001 0.000 0.220 228 A C 1.989 179.570 177.584 -0.006 0.000 1.170 228 A CA 2.520 54.573 52.037 0.026 0.000 0.636 228 A CB -0.792 18.222 19.000 0.024 0.000 0.810 228 A HN 0.636 nan 8.150 nan 0.000 0.448 229 D N 0.710 121.098 120.400 -0.021 0.000 2.084 229 D HA -0.195 4.444 4.640 -0.001 0.000 0.194 229 D C 1.703 177.943 176.300 -0.101 0.000 0.990 229 D CA 1.413 55.382 54.000 -0.053 0.000 0.826 229 D CB -0.751 40.021 40.800 -0.046 0.000 0.971 229 D HN 0.353 nan 8.370 nan 0.000 0.453 230 I N 1.342 121.856 120.570 -0.093 0.000 2.226 230 I HA -0.094 4.076 4.170 -0.001 0.000 0.245 230 I C 2.659 178.704 176.117 -0.121 0.000 1.100 230 I CA 1.472 62.678 61.300 -0.155 0.000 1.374 230 I CB -1.543 36.426 38.000 -0.053 0.000 1.057 230 I HN 0.217 nan 8.210 nan 0.000 0.413 231 G N 0.199 108.988 108.800 -0.019 0.000 2.408 231 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.217 231 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.217 231 G C 1.670 176.572 174.900 0.003 0.000 1.150 231 G CA 1.192 46.320 45.100 0.047 0.000 0.776 231 G HN 0.320 nan 8.290 nan 0.000 0.542 232 T N 1.721 116.251 114.554 -0.039 0.000 2.777 232 T HA 0.038 4.387 4.350 -0.001 0.000 0.266 232 T C 2.834 177.481 174.700 -0.089 0.000 1.040 232 T CA 1.386 63.450 62.100 -0.060 0.000 1.141 232 T CB -0.373 68.460 68.868 -0.059 0.000 0.868 232 T HN 0.362 nan 8.240 nan 0.000 0.444 233 A N 1.692 124.411 122.820 -0.169 0.000 1.892 233 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 233 A C 2.339 179.833 177.584 -0.150 0.000 1.188 233 A CA 1.931 53.813 52.037 -0.257 0.000 0.631 233 A CB -0.803 17.828 19.000 -0.615 0.000 0.822 233 A HN 0.480 nan 8.150 nan 0.000 0.447 234 M N -0.564 118.974 119.600 -0.103 0.000 2.080 234 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 234 M C 2.495 178.840 176.300 0.074 0.000 1.068 234 M CA 1.609 56.967 55.300 0.097 0.000 1.109 234 M CB -0.446 32.250 32.600 0.161 0.000 1.342 234 M HN 0.472 nan 8.290 nan 0.000 0.405 235 A N 0.281 123.117 122.820 0.025 0.000 1.972 235 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 235 A C 2.025 179.605 177.584 -0.006 0.000 1.169 235 A CA 1.572 53.611 52.037 0.002 0.000 0.635 235 A CB -0.448 18.526 19.000 -0.043 0.000 0.810 235 A HN 0.473 nan 8.150 nan 0.000 0.446 236 K N -0.472 119.923 120.400 -0.008 0.000 2.393 236 K HA 0.031 4.350 4.320 -0.001 0.000 0.193 236 K C -0.356 176.259 176.600 0.025 0.000 1.026 236 K CA 0.035 56.319 56.287 -0.005 0.000 1.064 236 K CB 0.236 32.724 32.500 -0.020 0.000 0.833 236 K HN 0.274 nan 8.250 nan 0.000 0.521 237 D N 1.942 122.377 120.400 0.059 0.000 2.339 237 D HA 0.024 4.663 4.640 -0.001 0.000 0.241 237 D C 0.382 176.724 176.300 0.070 0.000 1.183 237 D CA 0.113 54.170 54.000 0.094 0.000 0.859 237 D CB 0.950 41.863 40.800 0.190 0.000 1.067 237 D HN 0.061 nan 8.370 nan 0.000 0.484 238 E N 2.300 122.531 120.200 0.052 0.000 2.331 238 E HA -0.173 4.176 4.350 -0.001 0.000 0.199 238 E C 1.367 177.982 176.600 0.026 0.000 1.008 238 E CA 0.681 57.104 56.400 0.039 0.000 0.843 238 E CB 0.285 30.006 29.700 0.035 0.000 0.761 238 E HN 0.418 nan 8.360 nan 0.000 0.507 239 R N 0.310 120.829 120.500 0.032 0.000 2.280 239 R HA 0.017 4.356 4.340 -0.001 0.000 0.207 239 R C 0.211 176.512 176.300 0.003 0.000 1.043 239 R CA 0.235 56.338 56.100 0.006 0.000 1.006 239 R CB 0.338 30.640 30.300 0.003 0.000 0.885 239 R HN -0.067 nan 8.270 nan 0.000 0.467 240 V N 2.331 122.268 119.914 0.038 0.000 2.320 240 V HA 0.060 4.180 4.120 -0.001 0.000 0.265 240 V C 0.257 176.371 176.094 0.033 0.000 1.048 240 V CA -0.201 62.129 62.300 0.051 0.000 0.865 240 V CB 1.058 32.944 31.823 0.105 0.000 1.043 240 V HN 0.249 nan 8.190 nan 0.000 0.474 241 N N 3.375 122.078 118.700 0.005 0.000 2.216 241 N HA 0.018 4.758 4.740 -0.001 0.000 0.183 241 N C 0.135 175.658 175.510 0.022 0.000 1.017 241 N CA 0.666 53.713 53.050 -0.005 0.000 0.861 241 N CB 0.182 38.638 38.487 -0.051 0.000 0.986 241 N HN 0.525 nan 8.380 nan 0.000 0.428 242 L N 0.364 121.611 121.223 0.040 0.000 2.410 242 L HA 0.527 4.867 4.340 -0.001 0.000 0.270 242 L C -1.840 175.071 176.870 0.067 0.000 0.983 242 L CA -0.989 53.874 54.840 0.038 0.000 0.822 242 L CB 1.649 43.719 42.059 0.019 0.000 1.285 242 L HN -0.108 nan 8.230 nan 0.000 0.409 243 L N 4.111 125.374 121.223 0.066 0.000 2.294 243 L HA 0.580 4.919 4.340 -0.001 0.000 0.283 243 L C -0.375 176.567 176.870 0.120 0.000 1.015 243 L CA 0.236 55.143 54.840 0.111 0.000 0.831 243 L CB 1.347 43.473 42.059 0.111 0.000 1.217 243 L HN 0.718 nan 8.230 nan 0.000 0.420 244 S N 5.427 121.214 115.700 0.145 0.000 2.430 244 S HA 0.515 4.984 4.470 -0.001 0.000 0.289 244 S C -0.864 173.871 174.600 0.224 0.000 1.143 244 S CA -0.342 57.950 58.200 0.154 0.000 1.067 244 S CB -0.096 63.194 63.200 0.149 0.000 0.964 244 S HN 0.448 nan 8.310 nan 0.000 0.485 245 F N 4.336 124.334 119.950 0.080 0.000 2.507 245 F HA 0.525 5.051 4.527 -0.001 0.000 0.328 245 F C -0.400 175.452 175.800 0.086 0.000 1.136 245 F CA -0.274 57.777 58.000 0.085 0.000 0.930 245 F CB 1.842 40.876 39.000 0.058 0.000 1.166 245 F HN 0.415 nan 8.300 nan 0.000 0.436 246 T N 4.909 119.128 114.554 -0.559 0.000 2.786 246 T HA 0.796 5.146 4.350 -0.001 0.000 0.283 246 T C -0.080 174.188 174.700 -0.719 0.000 0.992 246 T CA -0.324 61.544 62.100 -0.387 0.000 0.954 246 T CB 1.114 69.903 68.868 -0.132 0.000 0.934 246 T HN 1.068 nan 8.240 nan 0.000 0.440 247 G N 1.737 110.310 108.800 -0.378 0.000 2.335 247 G HA2 0.455 4.415 3.960 -0.001 0.000 0.291 247 G HA3 0.455 4.415 3.960 -0.001 0.000 0.291 247 G C -0.567 174.393 174.900 0.100 0.000 1.261 247 G CA -0.430 44.545 45.100 -0.208 0.000 0.871 247 G HN 0.867 nan 8.290 nan 0.000 0.491 248 S N -0.627 115.166 115.700 0.154 0.000 2.579 248 S HA 0.366 4.836 4.470 -0.001 0.000 0.275 248 S C 1.421 176.130 174.600 0.181 0.000 1.345 248 S CA 1.096 59.366 58.200 0.117 0.000 1.031 248 S CB 1.201 64.455 63.200 0.091 0.000 0.892 248 S HN 0.846 nan 8.310 nan 0.000 0.529 249 T N 1.530 116.158 114.554 0.123 0.000 2.720 249 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 249 T C 1.857 176.586 174.700 0.049 0.000 1.037 249 T CA 1.901 64.060 62.100 0.100 0.000 1.144 249 T CB -0.514 68.429 68.868 0.125 0.000 0.864 249 T HN 0.805 nan 8.240 nan 0.000 0.444 250 Q N 0.343 120.178 119.800 0.059 0.000 2.061 250 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 250 Q C 2.325 178.316 176.000 -0.015 0.000 0.984 250 Q CA 1.637 57.456 55.803 0.026 0.000 0.846 250 Q CB -0.211 28.554 28.738 0.045 0.000 0.902 250 Q HN 0.375 nan 8.270 nan 0.000 0.421 251 V N 0.207 120.128 119.914 0.011 0.000 2.323 251 V HA -0.153 3.966 4.120 -0.001 0.000 0.244 251 V C 2.336 178.238 176.094 -0.319 0.000 1.041 251 V CA 1.764 64.022 62.300 -0.070 0.000 1.025 251 V CB -1.145 30.735 31.823 0.096 0.000 0.656 251 V HN 0.643 nan 8.190 nan 0.000 0.451 252 G N -0.316 108.314 108.800 -0.284 0.000 2.442 252 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.219 252 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.219 252 G C 1.634 176.361 174.900 -0.289 0.000 1.141 252 G CA 1.222 46.054 45.100 -0.447 0.000 0.763 252 G HN 0.495 nan 8.290 nan 0.000 0.554 253 K N -0.335 119.960 120.400 -0.175 0.000 2.032 253 K HA -0.151 4.169 4.320 -0.001 0.000 0.209 253 K C 2.641 179.142 176.600 -0.165 0.000 1.048 253 K CA 1.418 57.613 56.287 -0.155 0.000 0.927 253 K CB -0.101 32.324 32.500 -0.126 0.000 0.712 253 K HN 0.174 nan 8.250 nan 0.000 0.441 254 Q N 0.285 119.982 119.800 -0.172 0.000 2.079 254 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 254 Q C 2.274 178.161 176.000 -0.188 0.000 0.974 254 Q CA 1.136 56.846 55.803 -0.154 0.000 0.840 254 Q CB -0.392 28.270 28.738 -0.127 0.000 0.898 254 Q HN 0.197 nan 8.270 nan 0.000 0.430 255 V N 0.706 120.447 119.914 -0.290 0.000 2.295 255 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 255 V C 2.347 178.323 176.094 -0.196 0.000 1.049 255 V CA 1.993 64.117 62.300 -0.294 0.000 1.024 255 V CB -1.299 30.181 31.823 -0.571 0.000 0.648 255 V HN 0.453 nan 8.190 nan 0.000 0.447 256 G N -0.241 108.443 108.800 -0.194 0.000 2.440 256 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.218 256 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.218 256 G C 1.591 176.421 174.900 -0.117 0.000 1.154 256 G CA 1.117 46.140 45.100 -0.128 0.000 0.767 256 G HN 0.475 nan 8.290 nan 0.000 0.552 257 L N -0.358 120.791 121.223 -0.124 0.000 2.056 257 L HA -0.000 4.340 4.340 -0.001 0.000 0.207 257 L C 3.103 179.904 176.870 -0.115 0.000 1.078 257 L CA 0.934 55.705 54.840 -0.115 0.000 0.749 257 L CB -0.309 41.688 42.059 -0.105 0.000 0.901 257 L HN 0.222 nan 8.230 nan 0.000 0.433 258 M N -1.035 118.500 119.600 -0.108 0.000 2.117 258 M HA -0.175 4.305 4.480 -0.001 0.000 0.262 258 M C 2.271 178.519 176.300 -0.087 0.000 1.065 258 M CA 1.342 56.587 55.300 -0.092 0.000 1.114 258 M CB -0.328 32.222 32.600 -0.082 0.000 1.361 258 M HN 0.072 nan 8.290 nan 0.000 0.408 259 V N 0.037 119.902 119.914 -0.083 0.000 2.427 259 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 259 V C 2.287 178.323 176.094 -0.097 0.000 1.051 259 V CA 1.932 64.195 62.300 -0.063 0.000 1.048 259 V CB -0.758 31.041 31.823 -0.039 0.000 0.666 259 V HN 0.462 nan 8.190 nan 0.000 0.456 260 Q N 0.814 120.533 119.800 -0.136 0.000 2.119 260 Q HA -0.219 4.121 4.340 -0.001 0.000 0.201 260 Q C 2.046 177.823 176.000 -0.371 0.000 0.972 260 Q CA 1.993 57.665 55.803 -0.218 0.000 0.847 260 Q CB -0.382 28.247 28.738 -0.182 0.000 0.903 260 Q HN 0.637 nan 8.270 nan 0.000 0.433 261 E N 0.889 120.933 120.200 -0.260 0.000 2.130 261 E HA -0.234 4.116 4.350 -0.001 0.000 0.196 261 E C 1.234 177.679 176.600 -0.258 0.000 0.998 261 E CA 1.920 58.167 56.400 -0.255 0.000 0.806 261 E CB -0.161 29.452 29.700 -0.145 0.000 0.738 261 E HN 0.586 nan 8.360 nan 0.000 0.459 262 R N -1.153 119.248 120.500 -0.165 0.000 2.427 262 R HA 0.176 4.515 4.340 -0.001 0.000 0.262 262 R C -0.183 176.159 176.300 0.071 0.000 0.943 262 R CA 0.149 56.226 56.100 -0.038 0.000 1.081 262 R CB -0.524 29.776 30.300 -0.000 0.000 1.166 262 R HN -0.040 nan 8.270 nan 0.000 0.534 263 F N 0.662 120.605 119.950 -0.013 0.000 3.090 263 F HA -0.230 4.297 4.527 -0.000 0.000 0.282 263 F C 0.966 176.758 175.800 -0.013 0.000 0.923 263 F CA 0.966 58.958 58.000 -0.014 0.000 0.977 263 F CB -1.669 37.323 39.000 -0.013 0.000 0.954 263 F HN 0.414 nan 8.300 nan 0.000 0.695 264 G N 0.103 108.957 108.800 0.091 0.000 2.543 264 G HA2 0.660 4.620 3.960 -0.001 0.000 0.290 264 G HA3 0.660 4.620 3.960 -0.001 0.000 0.290 264 G C -0.125 174.804 174.900 0.049 0.000 1.310 264 G CA -0.996 44.141 45.100 0.061 0.000 1.025 264 G HN 0.240 nan 8.290 nan 0.000 0.502 265 R N -0.587 119.933 120.500 0.033 0.000 2.532 265 R HA 0.548 4.887 4.340 -0.001 0.000 0.295 265 R C -0.369 175.935 176.300 0.006 0.000 0.968 265 R CA -0.431 55.679 56.100 0.017 0.000 0.916 265 R CB 1.849 32.155 30.300 0.010 0.000 1.124 265 R HN 0.642 nan 8.270 nan 0.000 0.463 266 S N 2.269 117.967 115.700 -0.004 0.000 2.568 266 S HA 0.567 5.037 4.470 -0.001 0.000 0.293 266 S C -0.774 173.820 174.600 -0.011 0.000 1.089 266 S CA -0.950 57.252 58.200 0.003 0.000 0.945 266 S CB 1.645 64.845 63.200 0.000 0.000 1.077 266 S HN 0.541 nan 8.310 nan 0.000 0.485 267 L N 2.770 123.998 121.223 0.009 0.000 2.377 267 L HA 0.587 4.927 4.340 -0.001 0.000 0.270 267 L C -1.812 175.108 176.870 0.082 0.000 0.991 267 L CA -0.812 54.029 54.840 0.001 0.000 0.851 267 L CB 0.795 42.812 42.059 -0.070 0.000 1.218 267 L HN 0.734 nan 8.230 nan 0.000 0.420 268 L N 4.982 126.253 121.223 0.081 0.000 2.305 268 L HA 0.536 4.876 4.340 -0.001 0.000 0.284 268 L C -0.502 176.447 176.870 0.131 0.000 1.013 268 L CA -0.564 54.362 54.840 0.145 0.000 0.819 268 L CB 1.768 43.883 42.059 0.093 0.000 1.227 268 L HN 0.525 nan 8.230 nan 0.000 0.417 269 E N 5.871 126.177 120.200 0.178 0.000 2.437 269 E HA 0.454 4.804 4.350 -0.001 0.000 0.238 269 E C -0.654 176.035 176.600 0.149 0.000 0.969 269 E CA -0.144 56.344 56.400 0.147 0.000 0.759 269 E CB 1.998 31.806 29.700 0.180 0.000 1.283 269 E HN 0.523 nan 8.360 nan 0.000 0.416 270 L N -0.323 120.980 121.223 0.135 0.000 2.755 270 L HA 0.641 4.981 4.340 -0.001 0.000 0.243 270 L C 1.172 178.110 176.870 0.113 0.000 1.579 270 L CA -1.271 53.656 54.840 0.144 0.000 1.669 270 L CB 0.077 42.227 42.059 0.151 0.000 2.294 270 L HN 0.341 nan 8.230 nan 0.000 0.588 271 G N -1.201 107.667 108.800 0.114 0.000 2.606 271 G HA2 0.484 4.443 3.960 -0.001 0.000 0.252 271 G HA3 0.484 4.443 3.960 -0.001 0.000 0.252 271 G C -0.479 174.502 174.900 0.135 0.000 1.206 271 G CA 0.186 45.357 45.100 0.118 0.000 0.861 271 G HN 0.714 nan 8.290 nan 0.000 0.561 272 G N -1.014 107.888 108.800 0.172 0.000 2.605 272 G HA2 0.449 4.409 3.960 -0.001 0.000 0.296 272 G HA3 0.449 4.409 3.960 -0.001 0.000 0.296 272 G C -1.003 174.006 174.900 0.181 0.000 1.304 272 G CA -0.609 44.587 45.100 0.160 0.000 0.941 272 G HN 0.669 nan 8.290 nan 0.000 0.475 273 N N 0.316 119.108 118.700 0.155 0.000 2.700 273 N HA 0.076 4.816 4.740 -0.001 0.000 0.242 273 N C -1.009 174.610 175.510 0.182 0.000 1.541 273 N CA -0.551 52.602 53.050 0.173 0.000 0.764 273 N CB 0.167 38.733 38.487 0.130 0.000 1.319 273 N HN 0.436 nan 8.380 nan 0.000 0.518 274 N N 0.625 119.442 118.700 0.195 0.000 2.514 274 N HA 0.406 5.146 4.740 -0.001 0.000 0.277 274 N C -0.430 175.232 175.510 0.253 0.000 1.126 274 N CA -0.158 53.013 53.050 0.202 0.000 0.978 274 N CB 1.820 40.417 38.487 0.183 0.000 1.106 274 N HN 0.404 nan 8.380 nan 0.000 0.461 275 A N 2.634 125.635 122.820 0.302 0.000 2.317 275 A HA 0.616 4.935 4.320 -0.001 0.000 0.327 275 A C 0.062 177.872 177.584 0.376 0.000 1.178 275 A CA -0.688 51.590 52.037 0.401 0.000 0.817 275 A CB 0.578 19.910 19.000 0.554 0.000 1.189 275 A HN 0.671 nan 8.150 nan 0.000 0.489 276 I N 2.373 123.161 120.570 0.363 0.000 2.359 276 I HA 0.373 4.543 4.170 -0.001 0.000 0.294 276 I C -0.711 175.626 176.117 0.367 0.000 0.987 276 I CA -0.265 61.246 61.300 0.352 0.000 1.225 276 I CB 1.507 39.681 38.000 0.290 0.000 1.366 276 I HN 0.482 nan 8.210 nan 0.000 0.466 277 I N 5.693 126.438 120.570 0.291 0.000 2.410 277 I HA 0.462 4.632 4.170 -0.001 0.000 0.286 277 I C -0.075 176.187 176.117 0.241 0.000 1.009 277 I CA -0.496 60.915 61.300 0.185 0.000 1.111 277 I CB 1.849 39.774 38.000 -0.124 0.000 1.262 277 I HN 0.569 nan 8.210 nan 0.000 0.443 278 A N 7.059 130.044 122.820 0.275 0.000 2.273 278 A HA 0.690 5.009 4.320 -0.001 0.000 0.320 278 A C -0.656 177.107 177.584 0.299 0.000 1.358 278 A CA -0.295 51.919 52.037 0.296 0.000 0.910 278 A CB 0.026 19.126 19.000 0.165 0.000 1.159 278 A HN 0.545 nan 8.150 nan 0.000 0.526 279 F N 0.427 120.577 119.950 0.334 0.000 2.403 279 F HA 0.204 4.731 4.527 0.000 0.000 0.320 279 F C 1.781 177.627 175.800 0.076 0.000 1.176 279 F CA 0.224 58.389 58.000 0.275 0.000 1.206 279 F CB 0.887 39.995 39.000 0.180 0.000 1.235 279 F HN 0.812 nan 8.300 nan 0.000 0.565 280 E N 0.611 120.835 120.200 0.040 0.000 2.204 280 E HA -0.240 4.110 4.350 -0.001 0.000 0.195 280 E C 1.219 177.824 176.600 0.008 0.000 0.990 280 E CA 1.506 57.843 56.400 -0.105 0.000 0.821 280 E CB -0.104 29.335 29.700 -0.434 0.000 0.750 280 E HN 0.702 nan 8.360 nan 0.000 0.477 281 D N 0.090 120.525 120.400 0.058 0.000 2.328 281 D HA 0.041 4.681 4.640 -0.001 0.000 0.226 281 D C 0.183 176.539 176.300 0.095 0.000 1.066 281 D CA 0.152 54.186 54.000 0.056 0.000 0.861 281 D CB -0.154 40.667 40.800 0.034 0.000 0.912 281 D HN 0.159 nan 8.370 nan 0.000 0.521 282 A N 0.699 123.607 122.820 0.146 0.000 2.483 282 A HA 0.112 4.431 4.320 -0.001 0.000 0.238 282 A C 0.233 177.892 177.584 0.126 0.000 1.070 282 A CA -0.253 51.892 52.037 0.179 0.000 0.770 282 A CB 0.192 19.338 19.000 0.242 0.000 1.008 282 A HN 0.121 nan 8.150 nan 0.000 0.497 283 D N 2.228 122.713 120.400 0.141 0.000 2.348 283 D HA 0.140 4.779 4.640 -0.001 0.000 0.259 283 D C 0.962 177.309 176.300 0.078 0.000 1.296 283 D CA 0.079 54.141 54.000 0.103 0.000 0.931 283 D CB 0.141 41.007 40.800 0.111 0.000 1.067 283 D HN 0.442 nan 8.370 nan 0.000 0.503 284 L N 2.867 124.115 121.223 0.042 0.000 2.217 284 L HA -0.138 4.202 4.340 -0.001 0.000 0.211 284 L C 2.361 179.228 176.870 -0.006 0.000 1.107 284 L CA 0.881 55.723 54.840 0.005 0.000 0.783 284 L CB -0.467 41.592 42.059 0.002 0.000 0.919 284 L HN 0.405 nan 8.230 nan 0.000 0.442 285 S N -0.056 115.653 115.700 0.015 0.000 2.474 285 S HA -0.156 4.314 4.470 -0.001 0.000 0.235 285 S C 1.770 176.385 174.600 0.025 0.000 0.997 285 S CA 0.765 58.974 58.200 0.015 0.000 0.949 285 S CB -0.141 63.072 63.200 0.022 0.000 0.766 285 S HN 0.349 nan 8.310 nan 0.000 0.517 286 L N 0.799 122.050 121.223 0.048 0.000 2.286 286 L HA 0.363 4.703 4.340 -0.001 0.000 0.203 286 L C 2.369 179.231 176.870 -0.013 0.000 1.068 286 L CA 0.848 55.742 54.840 0.090 0.000 0.811 286 L CB -0.422 41.759 42.059 0.204 0.000 0.989 286 L HN 0.159 nan 8.230 nan 0.000 0.467 287 V N -0.797 119.021 119.914 -0.160 0.000 2.287 287 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 287 V C 2.449 178.368 176.094 -0.292 0.000 1.053 287 V CA 1.873 63.866 62.300 -0.512 0.000 1.027 287 V CB -0.587 31.012 31.823 -0.374 0.000 0.646 287 V HN 0.296 nan 8.190 nan 0.000 0.447 288 V N 0.989 120.820 119.914 -0.138 0.000 2.237 288 V HA -0.148 3.972 4.120 -0.001 0.000 0.245 288 V C 0.318 176.395 176.094 -0.028 0.000 1.046 288 V CA 2.633 64.886 62.300 -0.078 0.000 1.007 288 V CB -2.044 29.747 31.823 -0.052 0.000 0.638 288 V HN 0.544 nan 8.190 nan 0.000 0.445 289 P HA -0.058 nan 4.420 nan 0.000 0.221 289 P C 1.813 179.163 177.300 0.084 0.000 1.150 289 P CA 1.389 64.511 63.100 0.037 0.000 0.800 289 P CB -0.010 31.707 31.700 0.028 0.000 0.787 290 S N 0.558 116.295 115.700 0.063 0.000 2.356 290 S HA -0.091 4.379 4.470 -0.001 0.000 0.223 290 S C 2.239 176.930 174.600 0.151 0.000 1.032 290 S CA 1.458 59.751 58.200 0.155 0.000 1.005 290 S CB -1.004 62.316 63.200 0.200 0.000 0.867 290 S HN 0.203 nan 8.310 nan 0.000 0.449 291 A N 1.242 124.071 122.820 0.015 0.000 1.930 291 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 291 A C 2.115 179.763 177.584 0.107 0.000 1.175 291 A CA 1.284 53.347 52.037 0.042 0.000 0.627 291 A CB -0.664 18.315 19.000 -0.035 0.000 0.815 291 A HN 0.414 nan 8.150 nan 0.000 0.443 292 L N -1.440 119.853 121.223 0.116 0.000 1.994 292 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 292 L C 2.203 179.119 176.870 0.077 0.000 1.071 292 L CA 2.454 57.353 54.840 0.099 0.000 0.745 292 L CB -0.821 41.281 42.059 0.071 0.000 0.892 292 L HN 0.417 nan 8.230 nan 0.000 0.431 293 F N 0.496 120.452 119.950 0.010 0.000 2.102 293 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 293 F C 2.300 178.131 175.800 0.051 0.000 1.105 293 F CA 1.662 59.678 58.000 0.026 0.000 1.239 293 F CB -0.795 38.235 39.000 0.049 0.000 0.991 293 F HN 0.156 nan 8.300 nan 0.000 0.474 294 A N 0.259 123.116 122.820 0.061 0.000 1.933 294 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 294 A C 2.359 179.898 177.584 -0.075 0.000 1.175 294 A CA 1.919 53.937 52.037 -0.033 0.000 0.628 294 A CB -1.501 17.588 19.000 0.150 0.000 0.814 294 A HN 0.531 nan 8.150 nan 0.000 0.444 295 A N -0.677 122.132 122.820 -0.019 0.000 1.903 295 A HA 0.184 4.504 4.320 -0.001 0.000 0.213 295 A C 2.114 179.661 177.584 -0.063 0.000 1.185 295 A CA 1.786 53.823 52.037 0.000 0.000 0.628 295 A CB -0.625 18.434 19.000 0.097 0.000 0.830 295 A HN 1.197 nan 8.150 nan 0.000 0.446 296 V N -2.950 116.886 119.914 -0.129 0.000 3.645 296 V HA 0.429 4.549 4.120 -0.001 0.000 0.275 296 V C 1.139 177.182 176.094 -0.084 0.000 1.356 296 V CA 0.338 62.566 62.300 -0.119 0.000 1.051 296 V CB -0.878 30.758 31.823 -0.311 0.000 0.828 296 V HN 0.439 nan 8.190 nan 0.000 0.441 297 G N 0.799 109.466 108.800 -0.222 0.000 2.391 297 G HA2 0.339 4.299 3.960 -0.001 0.000 0.234 297 G HA3 0.339 4.299 3.960 -0.001 0.000 0.234 297 G C 0.666 175.436 174.900 -0.216 0.000 1.284 297 G CA 0.983 45.910 45.100 -0.288 0.000 0.873 297 G HN 1.033 nan 8.290 nan 0.000 0.549 298 T N -0.062 114.395 114.554 -0.161 0.000 4.210 298 T HA -0.153 4.196 4.350 -0.001 0.000 0.329 298 T C 1.435 176.002 174.700 -0.222 0.000 0.793 298 T CA 1.591 63.581 62.100 -0.184 0.000 1.935 298 T CB -1.955 66.795 68.868 -0.197 0.000 1.918 298 T HN 2.627 nan 8.240 nan 0.000 0.875 299 A N -0.999 121.684 122.820 -0.229 0.000 2.783 299 A HA 0.178 4.498 4.320 -0.001 0.000 0.292 299 A C 2.192 179.678 177.584 -0.164 0.000 1.495 299 A CA 1.517 53.397 52.037 -0.263 0.000 0.787 299 A CB -2.009 16.661 19.000 -0.550 0.000 1.017 299 A HN 2.683 nan 8.150 nan 0.000 0.516 300 G N -2.205 106.502 108.800 -0.156 0.000 2.160 300 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.251 300 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.251 300 G C 0.170 174.828 174.900 -0.403 0.000 1.008 300 G CA 0.904 45.894 45.100 -0.184 0.000 0.724 300 G HN 1.389 nan 8.290 nan 0.000 0.514 301 Q N -0.560 118.964 119.800 -0.460 0.000 2.206 301 Q HA 0.252 4.592 4.340 -0.001 0.000 0.265 301 Q C 0.880 176.580 176.000 -0.501 0.000 0.866 301 Q CA -0.309 54.995 55.803 -0.831 0.000 1.073 301 Q CB 0.698 29.248 28.738 -0.313 0.000 1.165 301 Q HN 0.503 nan 8.270 nan 0.000 0.465 302 R N -0.005 120.352 120.500 -0.238 0.000 2.486 302 R HA 0.173 4.513 4.340 -0.001 0.000 0.286 302 R C 1.251 177.740 176.300 0.316 0.000 0.999 302 R CA -0.263 55.958 56.100 0.202 0.000 0.993 302 R CB 0.914 31.339 30.300 0.208 0.000 1.084 302 R HN 0.379 nan 8.270 nan 0.000 0.487 303 C N -0.877 118.722 119.300 0.497 0.000 2.411 303 C HA -0.102 4.358 4.460 -0.001 0.000 0.279 303 C C 2.143 177.321 174.990 0.314 0.000 1.288 303 C CA 0.874 60.158 59.018 0.443 0.000 1.764 303 C CB -1.377 26.568 27.740 0.341 0.000 1.974 303 C HN 0.888 nan 8.230 nan 0.000 0.498 304 T N -2.345 112.374 114.554 0.275 0.000 3.129 304 T HA 0.095 4.445 4.350 -0.001 0.000 0.251 304 T C 0.494 175.290 174.700 0.161 0.000 1.117 304 T CA 0.317 62.548 62.100 0.219 0.000 1.034 304 T CB -0.833 68.182 68.868 0.245 0.000 0.968 304 T HN 0.519 nan 8.240 nan 0.000 0.526 305 T N 3.412 118.040 114.554 0.123 0.000 2.933 305 T HA 0.381 4.731 4.350 -0.001 0.000 0.306 305 T C 0.611 175.371 174.700 0.101 0.000 1.045 305 T CA 0.054 62.185 62.100 0.052 0.000 1.143 305 T CB 0.199 69.050 68.868 -0.029 0.000 1.003 305 T HN 0.587 nan 8.240 nan 0.000 0.540 306 A N 3.985 126.861 122.820 0.093 0.000 2.444 306 A HA 0.260 4.580 4.320 -0.001 0.000 0.273 306 A C 1.196 178.852 177.584 0.121 0.000 1.136 306 A CA -0.286 51.831 52.037 0.134 0.000 0.799 306 A CB 0.138 19.220 19.000 0.138 0.000 1.081 306 A HN 0.947 nan 8.150 nan 0.000 0.509 307 R N 1.478 122.078 120.500 0.167 0.000 2.373 307 R HA 0.141 4.481 4.340 -0.001 0.000 0.221 307 R C -0.132 176.313 176.300 0.240 0.000 0.893 307 R CA 0.246 56.455 56.100 0.181 0.000 1.049 307 R CB 0.596 31.043 30.300 0.245 0.000 1.119 307 R HN 0.680 nan 8.270 nan 0.000 0.535 308 R N 1.192 121.841 120.500 0.249 0.000 2.532 308 R HA 0.370 4.710 4.340 -0.001 0.000 0.297 308 R C -1.632 174.763 176.300 0.159 0.000 0.984 308 R CA -0.866 55.390 56.100 0.260 0.000 0.884 308 R CB 2.283 32.821 30.300 0.395 0.000 1.182 308 R HN -0.145 nan 8.270 nan 0.000 0.442 309 L N 3.830 125.050 121.223 -0.005 0.000 2.372 309 L HA 0.510 4.850 4.340 -0.001 0.000 0.273 309 L C -1.657 175.218 176.870 0.010 0.000 0.989 309 L CA -0.367 54.501 54.840 0.047 0.000 0.841 309 L CB 0.923 42.980 42.059 -0.002 0.000 1.225 309 L HN 0.447 nan 8.230 nan 0.000 0.414 310 F N 6.106 126.261 119.950 0.342 0.000 2.405 310 F HA 0.587 5.113 4.527 -0.001 0.000 0.355 310 F C 0.147 176.209 175.800 0.436 0.000 1.121 310 F CA -0.305 57.956 58.000 0.436 0.000 1.112 310 F CB 1.047 40.214 39.000 0.279 0.000 1.126 310 F HN 0.265 nan 8.300 nan 0.000 0.481 311 I N 3.010 123.949 120.570 0.615 0.000 2.465 311 I HA 0.220 4.390 4.170 -0.001 0.000 0.291 311 I C 0.040 176.230 176.117 0.123 0.000 1.014 311 I CA -0.946 60.584 61.300 0.384 0.000 1.093 311 I CB 1.479 39.603 38.000 0.206 0.000 1.267 311 I HN 0.550 nan 8.210 nan 0.000 0.431 312 H N 6.262 125.125 119.070 -0.345 0.000 2.972 312 H HA -0.026 4.530 4.556 0.000 0.000 0.343 312 H C 0.934 176.076 175.328 -0.311 0.000 1.054 312 H CA 0.802 56.354 56.048 -0.827 0.000 1.412 312 H CB 1.179 30.565 29.762 -0.626 0.000 1.385 312 H HN 0.845 nan 8.280 nan 0.000 0.600 313 E N 1.956 121.671 120.200 -0.807 0.000 2.171 313 E HA -0.234 4.116 4.350 -0.001 0.000 0.197 313 E C 1.738 178.270 176.600 -0.114 0.000 0.997 313 E CA 1.615 57.793 56.400 -0.369 0.000 0.810 313 E CB -0.120 29.340 29.700 -0.400 0.000 0.738 313 E HN 0.611 nan 8.360 nan 0.000 0.467 314 S N 1.543 117.267 115.700 0.040 0.000 2.423 314 S HA -0.118 4.352 4.470 -0.001 0.000 0.231 314 S C 2.059 176.720 174.600 0.102 0.000 1.014 314 S CA 1.102 59.384 58.200 0.136 0.000 0.965 314 S CB -0.683 62.658 63.200 0.236 0.000 0.785 314 S HN 0.620 nan 8.310 nan 0.000 0.495 315 I N -2.826 117.812 120.570 0.112 0.000 4.240 315 I HA 0.363 4.533 4.170 -0.001 0.000 0.331 315 I C 2.018 178.178 176.117 0.072 0.000 1.381 315 I CA -0.385 60.961 61.300 0.077 0.000 1.136 315 I CB -0.426 37.614 38.000 0.066 0.000 1.137 315 I HN 0.123 nan 8.210 nan 0.000 0.411 316 H N 2.864 121.927 119.070 -0.011 0.000 2.290 316 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 316 H C 1.089 176.403 175.328 -0.023 0.000 1.087 316 H CA 2.683 58.721 56.048 -0.016 0.000 1.291 316 H CB 0.157 29.904 29.762 -0.024 0.000 1.369 316 H HN 0.359 nan 8.280 nan 0.000 0.492 317 D N 0.308 120.775 120.400 0.112 0.000 2.144 317 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 317 D C 2.213 178.484 176.300 -0.049 0.000 0.978 317 D CA 0.993 55.012 54.000 0.033 0.000 0.833 317 D CB -0.367 40.482 40.800 0.081 0.000 0.961 317 D HN 0.613 nan 8.370 nan 0.000 0.470 318 E N 0.475 120.658 120.200 -0.027 0.000 2.072 318 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 318 E C 1.962 178.520 176.600 -0.070 0.000 0.985 318 E CA 0.692 57.071 56.400 -0.036 0.000 0.801 318 E CB 0.222 29.914 29.700 -0.013 0.000 0.750 318 E HN 0.009 nan 8.360 nan 0.000 0.452 319 V N 0.423 120.281 119.914 -0.094 0.000 2.307 319 V HA -0.214 3.905 4.120 -0.001 0.000 0.245 319 V C 2.415 178.405 176.094 -0.173 0.000 1.045 319 V CA 1.311 63.539 62.300 -0.120 0.000 1.024 319 V CB -0.205 31.550 31.823 -0.113 0.000 0.651 319 V HN 0.200 nan 8.190 nan 0.000 0.449 320 V N 0.826 120.590 119.914 -0.250 0.000 2.343 320 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 320 V C 2.362 178.338 176.094 -0.196 0.000 1.051 320 V CA 2.173 64.307 62.300 -0.276 0.000 1.036 320 V CB -0.861 30.746 31.823 -0.359 0.000 0.654 320 V HN 0.572 nan 8.190 nan 0.000 0.451 321 N N 0.316 118.933 118.700 -0.139 0.000 2.120 321 N HA -0.143 4.597 4.740 -0.001 0.000 0.188 321 N C 1.987 177.441 175.510 -0.094 0.000 1.024 321 N CA 1.403 54.396 53.050 -0.095 0.000 0.852 321 N CB -0.362 38.090 38.487 -0.058 0.000 1.003 321 N HN 0.474 nan 8.380 nan 0.000 0.424 322 R N -0.009 120.436 120.500 -0.091 0.000 2.115 322 R HA 0.012 4.351 4.340 -0.001 0.000 0.230 322 R C 1.918 178.163 176.300 -0.092 0.000 1.111 322 R CA 0.473 56.528 56.100 -0.075 0.000 0.976 322 R CB -0.260 30.004 30.300 -0.060 0.000 0.870 322 R HN 0.095 nan 8.270 nan 0.000 0.445 323 L N 1.886 123.026 121.223 -0.137 0.000 2.072 323 L HA -0.149 4.191 4.340 -0.001 0.000 0.205 323 L C 2.122 178.825 176.870 -0.277 0.000 1.079 323 L CA 1.781 56.520 54.840 -0.168 0.000 0.752 323 L CB -0.351 41.573 42.059 -0.225 0.000 0.906 323 L HN 0.092 nan 8.230 nan 0.000 0.436 324 K N -0.738 119.471 120.400 -0.319 0.000 2.148 324 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 324 K C 2.050 178.505 176.600 -0.242 0.000 1.050 324 K CA 1.552 57.611 56.287 -0.379 0.000 0.942 324 K CB -0.543 31.843 32.500 -0.189 0.000 0.724 324 K HN 0.202 nan 8.250 nan 0.000 0.446 325 K N 1.591 121.919 120.400 -0.119 0.000 2.026 325 K HA 0.015 4.334 4.320 -0.001 0.000 0.208 325 K C 2.376 178.939 176.600 -0.062 0.000 1.048 325 K CA 1.584 57.836 56.287 -0.059 0.000 0.929 325 K CB -1.233 31.245 32.500 -0.036 0.000 0.713 325 K HN 0.443 nan 8.250 nan 0.000 0.439 326 A N -0.079 122.709 122.820 -0.053 0.000 1.883 326 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 326 A C 2.345 179.916 177.584 -0.022 0.000 1.186 326 A CA 1.760 53.789 52.037 -0.012 0.000 0.624 326 A CB -0.685 18.332 19.000 0.028 0.000 0.822 326 A HN 0.621 nan 8.150 nan 0.000 0.444 327 Y N -0.096 119.975 120.300 -0.382 0.000 2.256 327 Y HA -0.111 4.439 4.550 0.001 0.000 0.288 327 Y C 2.858 178.497 175.900 -0.435 0.000 1.155 327 Y CA 0.471 58.237 58.100 -0.557 0.000 1.203 327 Y CB -0.764 37.037 38.460 -1.098 0.000 0.980 327 Y HN 0.339 nan 8.280 nan 0.000 0.530 328 A N -0.458 122.263 122.820 -0.164 0.000 2.067 328 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 328 A C 2.159 179.767 177.584 0.041 0.000 1.158 328 A CA 1.731 53.828 52.037 0.100 0.000 0.661 328 A CB -0.941 18.158 19.000 0.166 0.000 0.801 328 A HN 0.488 nan 8.150 nan 0.000 0.452 329 Q N -0.420 119.372 119.800 -0.014 0.000 2.403 329 Q HA 0.453 4.793 4.340 -0.001 0.000 0.203 329 Q C 0.714 176.693 176.000 -0.034 0.000 0.932 329 Q CA 0.287 56.081 55.803 -0.015 0.000 0.945 329 Q CB -0.757 27.971 28.738 -0.017 0.000 1.045 329 Q HN 0.743 nan 8.270 nan 0.000 0.511 330 I N 1.864 122.391 120.570 -0.073 0.000 2.618 330 I HA 0.080 4.249 4.170 -0.001 0.000 0.284 330 I C 0.728 176.818 176.117 -0.045 0.000 1.146 330 I CA -0.192 61.051 61.300 -0.094 0.000 1.425 330 I CB 1.016 38.878 38.000 -0.231 0.000 1.383 330 I HN 0.301 nan 8.210 nan 0.000 0.562 331 R N 5.996 126.492 120.500 -0.005 0.000 2.267 331 R HA 0.420 4.760 4.340 -0.001 0.000 0.319 331 R C -1.190 175.144 176.300 0.057 0.000 1.067 331 R CA -0.386 55.721 56.100 0.013 0.000 0.936 331 R CB 0.632 30.937 30.300 0.009 0.000 1.006 331 R HN 0.463 nan 8.270 nan 0.000 0.452 332 V N 4.078 124.021 119.914 0.048 0.000 2.532 332 V HA 0.841 4.960 4.120 -0.001 0.000 0.295 332 V C 0.796 176.883 176.094 -0.010 0.000 1.041 332 V CA -0.045 62.316 62.300 0.101 0.000 0.926 332 V CB 1.461 33.336 31.823 0.086 0.000 0.992 332 V HN 1.043 nan 8.190 nan 0.000 0.457 333 G N 2.559 111.357 108.800 -0.004 0.000 2.340 333 G HA2 0.216 4.176 3.960 -0.001 0.000 0.299 333 G HA3 0.216 4.176 3.960 -0.001 0.000 0.299 333 G C -1.422 173.412 174.900 -0.110 0.000 1.291 333 G CA -0.992 44.038 45.100 -0.117 0.000 0.841 333 G HN 0.476 nan 8.290 nan 0.000 0.500 334 N N 1.677 120.193 118.700 -0.306 0.000 2.454 334 N HA 0.199 4.939 4.740 -0.001 0.000 0.260 334 N C -1.366 173.745 175.510 -0.665 0.000 1.218 334 N CA -1.098 51.545 53.050 -0.678 0.000 0.904 334 N CB 1.679 39.389 38.487 -1.296 0.000 1.065 334 N HN 0.159 nan 8.380 nan 0.000 0.462 335 P HA -0.074 nan 4.420 nan 0.000 0.223 335 P C 0.763 178.038 177.300 -0.040 0.000 1.151 335 P CA 1.060 64.066 63.100 -0.156 0.000 0.787 335 P CB -0.069 31.621 31.700 -0.016 0.000 0.788 336 W N -0.857 120.478 121.300 0.058 0.000 3.256 336 W HA 0.330 4.989 4.660 -0.000 0.000 0.269 336 W C -0.290 176.238 176.519 0.014 0.000 1.310 336 W CA -0.510 56.852 57.345 0.029 0.000 1.673 336 W CB -0.932 28.553 29.460 0.042 0.000 1.115 336 W HN -0.265 nan 8.180 nan 0.000 0.686 337 D N 1.457 121.741 120.400 -0.192 0.000 2.294 337 D HA 0.235 4.875 4.640 -0.001 0.000 0.250 337 D C -2.266 174.012 176.300 -0.037 0.000 1.058 337 D CA -2.057 51.881 54.000 -0.103 0.000 0.950 337 D CB 0.951 41.623 40.800 -0.213 0.000 1.158 337 D HN -0.278 nan 8.370 nan 0.000 0.453 338 P HA 0.123 nan 4.420 nan 0.000 0.268 338 P C -0.068 177.227 177.300 -0.008 0.000 1.204 338 P CA 0.018 63.117 63.100 -0.000 0.000 0.768 338 P CB 0.372 32.074 31.700 0.003 0.000 0.842 339 N N -1.219 117.482 118.700 0.001 0.000 2.863 339 N HA -0.136 4.603 4.740 -0.001 0.000 0.245 339 N C -0.401 175.111 175.510 0.004 0.000 1.001 339 N CA 0.563 53.616 53.050 0.004 0.000 0.901 339 N CB -1.958 36.529 38.487 -0.000 0.000 1.124 339 N HN 0.196 nan 8.380 nan 0.000 0.582 340 V N 1.698 121.609 119.914 -0.005 0.000 2.637 340 V HA 0.081 4.200 4.120 -0.001 0.000 0.296 340 V C 1.807 177.920 176.094 0.032 0.000 1.046 340 V CA 0.198 62.500 62.300 0.002 0.000 1.066 340 V CB 1.315 33.115 31.823 -0.038 0.000 0.968 340 V HN 0.179 nan 8.190 nan 0.000 0.483 341 L N 4.243 125.505 121.223 0.064 0.000 2.701 341 L HA 0.349 4.689 4.340 -0.001 0.000 0.238 341 L C -0.330 176.628 176.870 0.147 0.000 1.106 341 L CA 0.227 55.122 54.840 0.092 0.000 0.898 341 L CB 0.342 42.451 42.059 0.083 0.000 1.188 341 L HN 0.637 nan 8.230 nan 0.000 0.508 342 Y N 0.346 120.641 120.300 -0.008 0.000 2.332 342 Y HA 0.616 5.166 4.550 -0.000 0.000 0.325 342 Y C 0.127 176.060 175.900 0.055 0.000 1.054 342 Y CA -0.991 57.106 58.100 -0.006 0.000 1.119 342 Y CB 1.351 39.802 38.460 -0.015 0.000 1.168 342 Y HN -0.087 nan 8.280 nan 0.000 0.439 343 G N 5.145 113.722 108.800 -0.370 0.000 2.795 343 G HA2 0.649 4.608 3.960 -0.001 0.000 0.267 343 G HA3 0.649 4.608 3.960 -0.001 0.000 0.267 343 G C -2.979 171.426 174.900 -0.826 0.000 1.362 343 G CA -1.820 43.066 45.100 -0.356 0.000 1.048 343 G HN 0.382 nan 8.290 nan 0.000 0.547 344 P HA 0.347 nan 4.420 nan 0.000 0.280 344 P C -0.082 176.889 177.300 -0.549 0.000 1.272 344 P CA -0.517 61.939 63.100 -1.074 0.000 0.819 344 P CB 1.404 32.465 31.700 -1.065 0.000 1.122 345 L N 0.704 121.679 121.223 -0.412 0.000 2.464 345 L HA 0.065 4.405 4.340 -0.001 0.000 0.264 345 L C 2.236 179.023 176.870 -0.139 0.000 1.199 345 L CA -0.166 54.547 54.840 -0.211 0.000 0.818 345 L CB -0.342 41.623 42.059 -0.157 0.000 1.102 345 L HN 0.579 nan 8.230 nan 0.000 0.473 346 H N 0.257 119.213 119.070 -0.189 0.000 2.423 346 H HA -0.049 4.507 4.556 -0.001 0.000 0.297 346 H C 0.511 175.685 175.328 -0.255 0.000 1.075 346 H CA 1.266 57.156 56.048 -0.263 0.000 1.342 346 H CB 0.283 29.689 29.762 -0.594 0.000 1.395 346 H HN 0.744 nan 8.280 nan 0.000 0.530 347 T N -3.767 110.640 114.554 -0.245 0.000 2.864 347 T HA 0.271 4.621 4.350 -0.001 0.000 0.299 347 T C 0.613 175.233 174.700 -0.133 0.000 1.166 347 T CA -1.084 60.872 62.100 -0.240 0.000 1.007 347 T CB 1.940 70.675 68.868 -0.222 0.000 1.219 347 T HN -0.112 nan 8.240 nan 0.000 0.506 348 K N 0.649 120.978 120.400 -0.119 0.000 2.103 348 K HA -0.113 4.206 4.320 -0.001 0.000 0.207 348 K C 2.561 179.145 176.600 -0.027 0.000 1.048 348 K CA 1.255 57.502 56.287 -0.066 0.000 0.930 348 K CB -0.622 31.834 32.500 -0.073 0.000 0.716 348 K HN 0.618 nan 8.250 nan 0.000 0.444 349 Q N -0.081 119.699 119.800 -0.032 0.000 2.135 349 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 349 Q C 2.283 178.313 176.000 0.049 0.000 0.981 349 Q CA 1.270 57.077 55.803 0.007 0.000 0.856 349 Q CB -0.613 28.125 28.738 0.001 0.000 0.902 349 Q HN 0.591 nan 8.270 nan 0.000 0.425 350 A N 0.131 122.975 122.820 0.041 0.000 1.898 350 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 350 A C 2.394 180.054 177.584 0.126 0.000 1.181 350 A CA 1.559 53.654 52.037 0.098 0.000 0.620 350 A CB -0.682 18.361 19.000 0.072 0.000 0.819 350 A HN 0.388 nan 8.150 nan 0.000 0.442 351 V N 0.142 120.098 119.914 0.071 0.000 2.287 351 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 351 V C 2.785 179.001 176.094 0.203 0.000 1.053 351 V CA 2.446 64.815 62.300 0.115 0.000 1.027 351 V CB -1.008 30.845 31.823 0.050 0.000 0.646 351 V HN 0.560 nan 8.190 nan 0.000 0.447 352 S N -0.552 115.224 115.700 0.127 0.000 2.370 352 S HA -0.189 4.281 4.470 -0.001 0.000 0.226 352 S C 1.966 176.644 174.600 0.131 0.000 1.033 352 S CA 1.629 59.896 58.200 0.112 0.000 1.011 352 S CB -0.327 62.914 63.200 0.067 0.000 0.852 352 S HN 0.394 nan 8.310 nan 0.000 0.457 353 M N 0.258 119.949 119.600 0.151 0.000 2.175 353 M HA 0.017 4.497 4.480 -0.001 0.000 0.264 353 M C 1.982 178.395 176.300 0.189 0.000 1.063 353 M CA 1.137 56.531 55.300 0.157 0.000 1.119 353 M CB -1.293 31.411 32.600 0.173 0.000 1.377 353 M HN 0.400 nan 8.290 nan 0.000 0.415 354 F N 1.563 121.564 119.950 0.087 0.000 2.069 354 F HA -0.219 4.308 4.527 0.000 0.000 0.298 354 F C 2.031 177.876 175.800 0.074 0.000 1.113 354 F CA 1.672 59.723 58.000 0.084 0.000 1.214 354 F CB -0.487 38.558 39.000 0.074 0.000 0.978 354 F HN -0.005 nan 8.300 nan 0.000 0.474 355 L N 0.157 121.405 121.223 0.041 0.000 2.046 355 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 355 L C 2.826 179.639 176.870 -0.096 0.000 1.077 355 L CA 1.345 56.128 54.840 -0.094 0.000 0.747 355 L CB -1.558 40.551 42.059 0.084 0.000 0.896 355 L HN 0.406 nan 8.230 nan 0.000 0.432 356 G N -0.588 108.204 108.800 -0.013 0.000 2.422 356 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.218 356 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.218 356 G C 1.746 176.641 174.900 -0.009 0.000 1.146 356 G CA 0.802 45.903 45.100 0.002 0.000 0.769 356 G HN 0.473 nan 8.290 nan 0.000 0.547 357 A N 0.134 122.947 122.820 -0.011 0.000 1.897 357 A HA 0.140 4.460 4.320 -0.001 0.000 0.215 357 A C 2.584 180.160 177.584 -0.013 0.000 1.181 357 A CA 1.614 53.669 52.037 0.029 0.000 0.620 357 A CB -0.626 18.434 19.000 0.100 0.000 0.821 357 A HN 0.229 nan 8.150 nan 0.000 0.443 358 V N 0.544 120.360 119.914 -0.164 0.000 2.332 358 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 358 V C 2.564 178.607 176.094 -0.085 0.000 1.055 358 V CA 2.248 64.436 62.300 -0.186 0.000 1.038 358 V CB -0.686 30.898 31.823 -0.399 0.000 0.651 358 V HN 0.531 nan 8.190 nan 0.000 0.450 359 E N -0.283 119.873 120.200 -0.074 0.000 2.107 359 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 359 E C 2.222 178.813 176.600 -0.015 0.000 0.982 359 E CA 1.132 57.510 56.400 -0.037 0.000 0.809 359 E CB -0.143 29.539 29.700 -0.030 0.000 0.756 359 E HN 0.646 nan 8.360 nan 0.000 0.459 360 E N 1.247 121.444 120.200 -0.005 0.000 2.106 360 E HA -0.078 4.271 4.350 -0.001 0.000 0.192 360 E C 1.876 178.480 176.600 0.005 0.000 0.984 360 E CA 1.232 57.634 56.400 0.002 0.000 0.806 360 E CB -0.246 29.460 29.700 0.011 0.000 0.750 360 E HN 0.170 nan 8.360 nan 0.000 0.458 361 A N 0.809 123.647 122.820 0.031 0.000 1.908 361 A HA -0.266 4.054 4.320 -0.001 0.000 0.218 361 A C 2.068 179.666 177.584 0.023 0.000 1.181 361 A CA 2.036 54.105 52.037 0.054 0.000 0.627 361 A CB -0.469 18.633 19.000 0.170 0.000 0.818 361 A HN 0.239 nan 8.150 nan 0.000 0.445 362 K N -0.531 119.874 120.400 0.008 0.000 2.025 362 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 362 K C 2.207 178.803 176.600 -0.008 0.000 1.049 362 K CA 1.541 57.827 56.287 -0.003 0.000 0.933 362 K CB -0.167 32.326 32.500 -0.011 0.000 0.714 362 K HN 0.498 nan 8.250 nan 0.000 0.438 363 K N 1.629 122.024 120.400 -0.010 0.000 2.113 363 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 363 K C 1.314 177.903 176.600 -0.019 0.000 1.047 363 K CA 1.694 57.973 56.287 -0.014 0.000 0.928 363 K CB 0.098 32.590 32.500 -0.013 0.000 0.716 363 K HN 0.143 nan 8.250 nan 0.000 0.446 364 E N -1.560 118.628 120.200 -0.021 0.000 2.489 364 E HA 0.050 4.400 4.350 -0.001 0.000 0.193 364 E C 0.519 177.103 176.600 -0.027 0.000 1.057 364 E CA 0.376 56.756 56.400 -0.032 0.000 0.866 364 E CB 0.577 30.250 29.700 -0.046 0.000 0.916 364 E HN 0.616 nan 8.360 nan 0.000 0.500 365 G N 0.647 109.439 108.800 -0.015 0.000 2.168 365 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.197 365 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.197 365 G C 0.418 175.318 174.900 0.001 0.000 0.997 365 G CA -0.437 44.658 45.100 -0.010 0.000 0.658 365 G HN 0.434 nan 8.290 nan 0.000 0.513 366 G N -0.600 108.206 108.800 0.010 0.000 2.537 366 G HA2 0.574 4.534 3.960 -0.001 0.000 0.273 366 G HA3 0.574 4.534 3.960 -0.001 0.000 0.273 366 G C -0.253 174.653 174.900 0.010 0.000 1.189 366 G CA 0.510 45.623 45.100 0.021 0.000 0.881 366 G HN 0.517 nan 8.290 nan 0.000 0.535 367 T N 0.427 114.984 114.554 0.005 0.000 2.792 367 T HA 0.347 4.697 4.350 -0.001 0.000 0.280 367 T C 0.011 174.703 174.700 -0.014 0.000 0.990 367 T CA -0.287 61.810 62.100 -0.005 0.000 0.960 367 T CB 1.620 70.485 68.868 -0.005 0.000 0.939 367 T HN 0.297 nan 8.240 nan 0.000 0.439 368 V N 5.019 124.921 119.914 -0.020 0.000 2.405 368 V HA 0.084 4.204 4.120 -0.001 0.000 0.264 368 V C 1.505 177.583 176.094 -0.026 0.000 1.048 368 V CA 0.008 62.291 62.300 -0.028 0.000 0.966 368 V CB 0.524 32.325 31.823 -0.036 0.000 1.015 368 V HN 0.881 nan 8.190 nan 0.000 0.477 369 V N 2.698 122.599 119.914 -0.023 0.000 3.590 369 V HA 0.371 4.490 4.120 -0.001 0.000 0.265 369 V C 0.137 176.260 176.094 0.049 0.000 1.239 369 V CA 0.446 62.740 62.300 -0.010 0.000 1.117 369 V CB -0.566 31.238 31.823 -0.032 0.000 0.818 369 V HN 0.665 nan 8.190 nan 0.000 0.451 370 Y N -0.263 119.977 120.300 -0.100 0.000 2.482 370 Y HA 0.624 5.173 4.550 -0.001 0.000 0.334 370 Y C 0.430 176.325 175.900 -0.008 0.000 1.091 370 Y CA 0.202 58.259 58.100 -0.072 0.000 1.027 370 Y CB 1.385 39.761 38.460 -0.140 0.000 1.306 370 Y HN 0.573 nan 8.280 nan 0.000 0.446 371 G N 2.626 111.173 108.800 -0.422 0.000 2.498 371 G HA2 0.201 4.160 3.960 -0.001 0.000 0.251 371 G HA3 0.201 4.160 3.960 -0.001 0.000 0.251 371 G C 0.864 175.770 174.900 0.010 0.000 1.170 371 G CA 0.772 45.798 45.100 -0.124 0.000 0.944 371 G HN 2.238 nan 8.290 nan 0.000 0.567 372 G N -1.432 107.477 108.800 0.182 0.000 2.176 372 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.253 372 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.253 372 G C 0.259 175.259 174.900 0.167 0.000 0.979 372 G CA 1.870 47.025 45.100 0.093 0.000 0.641 372 G HN 1.160 nan 8.290 nan 0.000 0.530 373 K N -0.114 120.439 120.400 0.254 0.000 2.267 373 K HA 0.684 5.004 4.320 -0.001 0.000 0.246 373 K C 0.469 177.237 176.600 0.280 0.000 0.954 373 K CA -0.977 55.443 56.287 0.221 0.000 0.824 373 K CB 2.684 35.234 32.500 0.083 0.000 1.167 373 K HN 0.030 nan 8.250 nan 0.000 0.431 374 V N 2.692 122.739 119.914 0.221 0.000 2.963 374 V HA 0.068 4.188 4.120 -0.001 0.000 0.306 374 V C 0.421 176.566 176.094 0.086 0.000 1.077 374 V CA 0.018 62.397 62.300 0.132 0.000 1.124 374 V CB 0.493 32.384 31.823 0.114 0.000 0.987 374 V HN 0.655 nan 8.190 nan 0.000 0.487 375 M N 2.651 122.299 119.600 0.079 0.000 2.277 375 M HA 0.277 4.756 4.480 -0.001 0.000 0.350 375 M C -0.174 176.147 176.300 0.034 0.000 1.180 375 M CA -0.359 54.973 55.300 0.052 0.000 1.103 375 M CB 0.645 33.280 32.600 0.059 0.000 1.577 375 M HN 0.588 nan 8.290 nan 0.000 0.459 376 D N 4.316 124.719 120.400 0.004 0.000 2.517 376 D HA 0.241 4.881 4.640 -0.001 0.000 0.220 376 D C -0.698 175.587 176.300 -0.026 0.000 1.158 376 D CA -0.019 53.980 54.000 -0.002 0.000 0.992 376 D CB 0.248 41.044 40.800 -0.006 0.000 1.058 376 D HN 0.588 nan 8.370 nan 0.000 0.516 377 R N 1.117 121.605 120.500 -0.020 0.000 2.765 377 R HA 0.464 4.804 4.340 -0.001 0.000 0.277 377 R C -3.084 173.217 176.300 0.002 0.000 1.028 377 R CA -1.467 54.602 56.100 -0.052 0.000 0.860 377 R CB -0.427 29.773 30.300 -0.168 0.000 1.270 377 R HN -0.061 nan 8.270 nan 0.000 0.484 378 P HA 0.279 nan 4.420 nan 0.000 0.268 378 P C 0.209 177.617 177.300 0.180 0.000 1.208 378 P CA 1.497 64.639 63.100 0.070 0.000 0.777 378 P CB 0.507 32.244 31.700 0.063 0.000 0.875 379 G N 1.909 110.809 108.800 0.168 0.000 2.660 379 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.215 379 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.215 379 G C -0.542 174.431 174.900 0.123 0.000 1.345 379 G CA -0.643 44.564 45.100 0.180 0.000 0.877 379 G HN 0.540 nan 8.290 nan 0.000 0.549 380 N N 0.444 119.116 118.700 -0.047 0.000 2.839 380 N HA 0.319 5.059 4.740 -0.001 0.000 0.314 380 N C -0.851 174.542 175.510 -0.194 0.000 1.449 380 N CA 0.015 52.999 53.050 -0.110 0.000 1.050 380 N CB 0.241 38.630 38.487 -0.165 0.000 1.364 380 N HN 0.415 nan 8.380 nan 0.000 0.512 381 Y N 0.373 120.629 120.300 -0.075 0.000 2.336 381 Y HA 0.290 4.839 4.550 -0.001 0.000 0.335 381 Y C 0.998 176.847 175.900 -0.086 0.000 1.046 381 Y CA -0.886 57.171 58.100 -0.071 0.000 1.198 381 Y CB 0.981 39.431 38.460 -0.017 0.000 1.182 381 Y HN -0.030 nan 8.280 nan 0.000 0.502 382 V N -0.183 119.710 119.914 -0.035 0.000 2.960 382 V HA 0.578 4.698 4.120 -0.001 0.000 0.315 382 V C -0.448 175.615 176.094 -0.052 0.000 1.087 382 V CA -1.401 60.754 62.300 -0.242 0.000 0.982 382 V CB 1.920 33.085 31.823 -1.097 0.000 1.039 382 V HN 0.711 nan 8.190 nan 0.000 0.437 383 E N 3.874 124.068 120.200 -0.010 0.000 2.316 383 E HA 0.312 4.662 4.350 -0.001 0.000 0.275 383 E C -2.454 174.235 176.600 0.147 0.000 1.029 383 E CA -1.713 54.737 56.400 0.084 0.000 0.871 383 E CB 0.946 30.712 29.700 0.109 0.000 1.022 383 E HN 0.652 nan 8.360 nan 0.000 0.418 384 P HA 0.013 nan 4.420 nan 0.000 0.271 384 P C -0.806 176.778 177.300 0.475 0.000 1.216 384 P CA -0.088 63.113 63.100 0.168 0.000 0.771 384 P CB 0.903 32.456 31.700 -0.246 0.000 0.864 385 T N 3.795 118.619 114.554 0.451 0.000 2.863 385 T HA 0.615 4.965 4.350 -0.001 0.000 0.285 385 T C 0.055 174.831 174.700 0.128 0.000 1.009 385 T CA -0.362 61.933 62.100 0.326 0.000 0.989 385 T CB 0.867 69.887 68.868 0.253 0.000 1.004 385 T HN 0.222 nan 8.240 nan 0.000 0.455 386 I N 2.310 122.876 120.570 -0.006 0.000 2.447 386 I HA 0.470 4.640 4.170 -0.001 0.000 0.287 386 I C -0.797 175.241 176.117 -0.131 0.000 1.023 386 I CA -1.044 60.155 61.300 -0.169 0.000 1.083 386 I CB 1.958 39.767 38.000 -0.319 0.000 1.245 386 I HN 0.254 nan 8.210 nan 0.000 0.434 387 V N 4.917 124.733 119.914 -0.164 0.000 2.384 387 V HA 0.443 4.563 4.120 -0.001 0.000 0.287 387 V C 0.379 176.413 176.094 -0.099 0.000 1.020 387 V CA -0.460 61.788 62.300 -0.085 0.000 0.850 387 V CB 1.670 33.498 31.823 0.010 0.000 0.987 387 V HN 0.868 nan 8.190 nan 0.000 0.436 388 T N 0.894 115.409 114.554 -0.064 0.000 2.936 388 T HA 0.734 5.083 4.350 -0.001 0.000 0.282 388 T C 1.046 175.736 174.700 -0.016 0.000 1.003 388 T CA 0.211 62.284 62.100 -0.045 0.000 1.005 388 T CB 1.723 70.606 68.868 0.024 0.000 1.097 388 T HN 1.576 nan 8.240 nan 0.000 0.532 389 G N 0.176 108.976 108.800 0.000 0.000 2.268 389 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.240 389 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.240 389 G C 0.046 174.971 174.900 0.043 0.000 1.010 389 G CA -0.008 45.103 45.100 0.018 0.000 0.618 389 G HN 0.864 nan 8.290 nan 0.000 0.516 390 L N 1.515 122.774 121.223 0.060 0.000 2.473 390 L HA 0.508 4.847 4.340 -0.001 0.000 0.268 390 L C 1.621 178.612 176.870 0.202 0.000 1.215 390 L CA 0.097 55.004 54.840 0.112 0.000 0.823 390 L CB 0.437 42.579 42.059 0.138 0.000 1.099 390 L HN 0.278 nan 8.230 nan 0.000 0.483 391 G N -0.956 107.879 108.800 0.058 0.000 2.483 391 G HA2 0.100 4.059 3.960 -0.001 0.000 0.248 391 G HA3 0.100 4.059 3.960 -0.001 0.000 0.248 391 G C 0.704 175.507 174.900 -0.162 0.000 1.248 391 G CA -0.162 44.889 45.100 -0.082 0.000 0.838 391 G HN 0.977 nan 8.290 nan 0.000 0.566 392 H N -0.185 118.617 119.070 -0.446 0.000 2.489 392 H HA -0.111 4.444 4.556 -0.001 0.000 0.295 392 H C 1.202 176.275 175.328 -0.426 0.000 1.082 392 H CA 1.551 57.036 56.048 -0.939 0.000 1.295 392 H CB 0.261 29.368 29.762 -1.092 0.000 1.380 392 H HN 0.457 nan 8.280 nan 0.000 0.548 393 D N 0.625 120.547 120.400 -0.797 0.000 2.368 393 D HA 0.202 4.842 4.640 -0.001 0.000 0.218 393 D C 0.512 176.491 176.300 -0.535 0.000 1.112 393 D CA 0.037 53.656 54.000 -0.635 0.000 0.834 393 D CB -0.496 39.900 40.800 -0.673 0.000 0.953 393 D HN 0.573 nan 8.370 nan 0.000 0.505 394 A N 0.975 123.604 122.820 -0.319 0.000 2.540 394 A HA 0.275 4.595 4.320 -0.001 0.000 0.239 394 A C 1.707 179.164 177.584 -0.213 0.000 1.061 394 A CA 0.330 52.238 52.037 -0.215 0.000 0.758 394 A CB 0.318 19.245 19.000 -0.121 0.000 0.991 394 A HN 0.289 nan 8.150 nan 0.000 0.502 395 S N 2.621 118.212 115.700 -0.180 0.000 2.382 395 S HA -0.201 4.268 4.470 -0.001 0.000 0.228 395 S C 1.675 176.243 174.600 -0.052 0.000 1.027 395 S CA 1.474 59.597 58.200 -0.127 0.000 0.991 395 S CB -0.519 62.626 63.200 -0.090 0.000 0.823 395 S HN 0.761 nan 8.310 nan 0.000 0.469 396 I N 2.677 123.195 120.570 -0.086 0.000 2.315 396 I HA 0.063 4.232 4.170 -0.001 0.000 0.248 396 I C 2.560 178.548 176.117 -0.214 0.000 1.117 396 I CA 0.794 62.038 61.300 -0.093 0.000 1.404 396 I CB -0.917 37.032 38.000 -0.084 0.000 1.071 396 I HN 0.334 nan 8.210 nan 0.000 0.419 397 A N -1.059 121.548 122.820 -0.354 0.000 2.019 397 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 397 A C 2.185 179.808 177.584 0.065 0.000 1.164 397 A CA 1.572 53.409 52.037 -0.333 0.000 0.644 397 A CB -1.077 17.881 19.000 -0.069 0.000 0.805 397 A HN 0.641 nan 8.150 nan 0.000 0.449 398 H N -1.014 118.016 119.070 -0.066 0.000 2.548 398 H HA 0.041 4.597 4.556 -0.001 0.000 0.268 398 H C -0.089 175.258 175.328 0.032 0.000 0.975 398 H CA 0.627 56.672 56.048 -0.005 0.000 1.195 398 H CB 0.292 30.035 29.762 -0.032 0.000 1.397 398 H HN 0.348 nan 8.280 nan 0.000 0.572 399 T N 1.054 115.692 114.554 0.139 0.000 2.837 399 T HA 0.050 4.399 4.350 -0.001 0.000 0.285 399 T C 0.193 175.000 174.700 0.179 0.000 0.984 399 T CA -0.581 61.600 62.100 0.136 0.000 1.049 399 T CB 2.296 71.233 68.868 0.116 0.000 0.947 399 T HN 0.264 nan 8.240 nan 0.000 0.472 400 E N 2.576 122.889 120.200 0.188 0.000 2.166 400 E HA 0.144 4.493 4.350 -0.001 0.000 0.279 400 E C -0.756 176.005 176.600 0.268 0.000 1.095 400 E CA -0.270 56.276 56.400 0.244 0.000 0.888 400 E CB 0.327 30.171 29.700 0.239 0.000 1.041 400 E HN 0.470 nan 8.360 nan 0.000 0.414 401 T N 5.607 120.342 114.554 0.302 0.000 2.756 401 T HA 0.179 4.529 4.350 -0.001 0.000 0.290 401 T C -0.246 174.670 174.700 0.359 0.000 0.985 401 T CA -0.407 61.877 62.100 0.306 0.000 0.955 401 T CB 0.206 69.237 68.868 0.272 0.000 0.930 401 T HN 0.381 nan 8.240 nan 0.000 0.451 402 F N 3.957 124.023 119.950 0.193 0.000 2.661 402 F HA 0.472 4.999 4.527 -0.001 0.000 0.356 402 F C 0.697 176.614 175.800 0.194 0.000 1.244 402 F CA -0.214 57.902 58.000 0.193 0.000 1.290 402 F CB -0.471 38.659 39.000 0.216 0.000 1.677 402 F HN 0.709 nan 8.300 nan 0.000 0.649 403 A N 3.362 126.242 122.820 0.100 0.000 2.586 403 A HA 0.569 4.889 4.320 -0.001 0.000 0.290 403 A C -2.869 174.778 177.584 0.104 0.000 1.086 403 A CA -1.240 50.861 52.037 0.107 0.000 0.665 403 A CB 1.099 20.289 19.000 0.316 0.000 1.279 403 A HN 0.088 nan 8.150 nan 0.000 0.423 404 P HA 0.426 nan 4.420 nan 0.000 0.238 404 P C -1.061 176.364 177.300 0.208 0.000 1.794 404 P CA 0.453 63.625 63.100 0.120 0.000 1.088 404 P CB -0.641 31.135 31.700 0.127 0.000 1.923 405 I N 3.328 123.955 120.570 0.096 0.000 2.418 405 I HA 0.324 4.494 4.170 -0.001 0.000 0.287 405 I C -0.234 175.705 176.117 -0.297 0.000 1.008 405 I CA -1.150 60.092 61.300 -0.096 0.000 1.104 405 I CB 2.303 40.165 38.000 -0.230 0.000 1.264 405 I HN 0.020 nan 8.210 nan 0.000 0.438 406 L N 7.972 129.024 121.223 -0.285 0.000 2.298 406 L HA 0.473 4.812 4.340 -0.001 0.000 0.284 406 L C -1.232 175.393 176.870 -0.409 0.000 1.013 406 L CA -0.222 54.464 54.840 -0.258 0.000 0.824 406 L CB 0.528 42.541 42.059 -0.077 0.000 1.221 406 L HN 0.268 nan 8.230 nan 0.000 0.418 407 Y N 4.454 124.671 120.300 -0.138 0.000 2.350 407 Y HA 0.513 5.062 4.550 -0.001 0.000 0.340 407 Y C 0.145 175.601 175.900 -0.740 0.000 1.006 407 Y CA -0.632 57.239 58.100 -0.381 0.000 1.166 407 Y CB 1.158 39.467 38.460 -0.252 0.000 1.168 407 Y HN 0.266 nan 8.280 nan 0.000 0.502 408 V N 5.288 124.808 119.914 -0.656 0.000 2.435 408 V HA 0.466 4.585 4.120 -0.001 0.000 0.290 408 V C -0.627 175.024 176.094 -0.739 0.000 1.030 408 V CA -0.998 60.966 62.300 -0.559 0.000 0.881 408 V CB 0.854 32.526 31.823 -0.251 0.000 0.983 408 V HN 0.459 nan 8.190 nan 0.000 0.445 409 F N 2.132 122.085 119.950 0.006 0.000 2.563 409 F HA 0.599 5.125 4.527 -0.002 0.000 0.316 409 F C 0.280 176.259 175.800 0.299 0.000 1.076 409 F CA -1.089 56.966 58.000 0.091 0.000 0.921 409 F CB 1.764 40.734 39.000 -0.050 0.000 1.209 409 F HN 0.259 nan 8.300 nan 0.000 0.462 410 K N 2.065 122.704 120.400 0.399 0.000 2.118 410 K HA 0.657 4.977 4.320 -0.001 0.000 0.264 410 K C -1.065 175.871 176.600 0.561 0.000 1.000 410 K CA -0.484 55.973 56.287 0.284 0.000 0.929 410 K CB 1.231 33.702 32.500 -0.049 0.000 1.021 410 K HN 0.594 nan 8.250 nan 0.000 0.463 411 F N -1.527 118.553 119.950 0.217 0.000 2.685 411 F HA 0.303 4.831 4.527 0.000 0.000 0.315 411 F C 0.329 176.042 175.800 -0.144 0.000 1.126 411 F CA -0.844 57.239 58.000 0.138 0.000 0.950 411 F CB 1.310 40.350 39.000 0.067 0.000 1.360 411 F HN 0.366 nan 8.300 nan 0.000 0.469 412 Q N 1.368 121.112 119.800 -0.093 0.000 2.619 412 Q HA 0.181 4.520 4.340 -0.001 0.000 0.230 412 Q C -0.800 175.282 176.000 0.138 0.000 0.871 412 Q CA 0.862 56.533 55.803 -0.219 0.000 0.934 412 Q CB 0.294 28.969 28.738 -0.106 0.000 1.183 412 Q HN 0.919 nan 8.270 nan 0.000 0.631 413 N N -0.630 118.168 118.700 0.164 0.000 2.443 413 N HA 0.105 4.845 4.740 -0.001 0.000 0.293 413 N C 0.394 175.938 175.510 0.057 0.000 1.159 413 N CA -0.341 52.786 53.050 0.128 0.000 0.904 413 N CB 1.291 39.781 38.487 0.005 0.000 1.214 413 N HN 0.034 nan 8.380 nan 0.000 0.513 414 E N 0.248 120.456 120.200 0.013 0.000 2.051 414 E HA -0.263 4.087 4.350 -0.001 0.000 0.192 414 E C 0.717 176.959 176.600 -0.596 0.000 0.991 414 E CA 1.425 57.684 56.400 -0.235 0.000 0.799 414 E CB 0.043 29.555 29.700 -0.314 0.000 0.748 414 E HN 0.722 nan 8.360 nan 0.000 0.449 415 E N 0.767 120.720 120.200 -0.411 0.000 2.077 415 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 415 E C 1.968 178.352 176.600 -0.360 0.000 0.989 415 E CA 1.703 57.902 56.400 -0.336 0.000 0.800 415 E CB -0.173 29.416 29.700 -0.186 0.000 0.746 415 E HN 0.546 nan 8.360 nan 0.000 0.452 416 E N 0.512 120.425 120.200 -0.478 0.000 2.072 416 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 416 E C 2.172 177.976 176.600 -1.327 0.000 0.985 416 E CA 1.222 57.127 56.400 -0.824 0.000 0.801 416 E CB -0.382 28.802 29.700 -0.861 0.000 0.750 416 E HN 0.154 nan 8.360 nan 0.000 0.452 417 V N 0.171 119.438 119.914 -1.078 0.000 2.548 417 V HA -0.165 3.955 4.120 -0.001 0.000 0.249 417 V C 1.816 177.633 176.094 -0.463 0.000 1.055 417 V CA 1.239 62.901 62.300 -1.064 0.000 1.065 417 V CB -0.582 30.388 31.823 -1.421 0.000 0.681 417 V HN 0.236 nan 8.190 nan 0.000 0.462 418 F N 1.132 120.856 119.950 -0.377 0.000 2.134 418 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 418 F C 2.533 178.265 175.800 -0.114 0.000 1.097 418 F CA 1.097 59.050 58.000 -0.078 0.000 1.264 418 F CB -1.651 37.379 39.000 0.051 0.000 1.001 418 F HN 0.257 nan 8.300 nan 0.000 0.479 419 A N -0.522 122.287 122.820 -0.017 0.000 1.933 419 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 419 A C 2.045 179.687 177.584 0.097 0.000 1.175 419 A CA 1.445 53.485 52.037 0.006 0.000 0.628 419 A CB -1.224 17.755 19.000 -0.036 0.000 0.814 419 A HN 0.430 nan 8.150 nan 0.000 0.444 420 W N 0.122 121.272 121.300 -0.251 0.000 2.388 420 W HA -0.081 4.578 4.660 -0.001 0.000 0.294 420 W C 2.040 178.397 176.519 -0.270 0.000 1.212 420 W CA 0.569 57.699 57.345 -0.359 0.000 1.271 420 W CB -1.447 27.574 29.460 -0.731 0.000 1.126 420 W HN 0.590 nan 8.180 nan 0.000 0.535 421 N N 0.883 119.538 118.700 -0.074 0.000 2.061 421 N HA -0.210 4.530 4.740 -0.001 0.000 0.193 421 N C 1.287 176.836 175.510 0.065 0.000 1.030 421 N CA 2.012 55.096 53.050 0.057 0.000 0.856 421 N CB -0.428 38.155 38.487 0.160 0.000 1.023 421 N HN -0.125 nan 8.380 nan 0.000 0.424 422 N N 0.172 118.898 118.700 0.044 0.000 2.463 422 N HA -0.072 4.667 4.740 -0.001 0.000 0.181 422 N C 0.974 176.496 175.510 0.021 0.000 1.078 422 N CA 0.627 53.685 53.050 0.014 0.000 0.902 422 N CB -0.170 38.321 38.487 0.006 0.000 0.970 422 N HN 0.682 nan 8.380 nan 0.000 0.451 423 E N 0.377 120.610 120.200 0.055 0.000 2.274 423 E HA -0.062 4.287 4.350 -0.001 0.000 0.194 423 E C 0.843 177.437 176.600 -0.010 0.000 0.996 423 E CA 0.279 56.728 56.400 0.082 0.000 0.840 423 E CB -0.151 29.675 29.700 0.210 0.000 0.772 423 E HN 0.117 nan 8.360 nan 0.000 0.491 424 V N -1.027 118.795 119.914 -0.154 0.000 3.264 424 V HA 0.131 4.251 4.120 -0.001 0.000 0.304 424 V C 1.065 177.068 176.094 -0.152 0.000 1.086 424 V CA -0.765 61.371 62.300 -0.275 0.000 1.090 424 V CB 1.518 33.147 31.823 -0.324 0.000 1.112 424 V HN -0.095 nan 8.190 nan 0.000 0.472 425 K N -0.090 120.192 120.400 -0.197 0.000 2.243 425 K HA 0.100 4.420 4.320 -0.001 0.000 0.201 425 K C 0.908 177.380 176.600 -0.213 0.000 1.051 425 K CA 0.728 56.793 56.287 -0.370 0.000 0.970 425 K CB -0.220 31.797 32.500 -0.804 0.000 0.755 425 K HN 0.859 nan 8.250 nan 0.000 0.465 426 Q N -0.524 119.228 119.800 -0.080 0.000 2.417 426 Q HA 0.349 4.689 4.340 -0.001 0.000 0.241 426 Q C 0.629 176.632 176.000 0.005 0.000 1.008 426 Q CA 0.446 56.260 55.803 0.019 0.000 0.901 426 Q CB 0.728 29.499 28.738 0.054 0.000 1.259 426 Q HN 0.265 nan 8.270 nan 0.000 0.489 427 G N 0.541 109.350 108.800 0.014 0.000 4.876 427 G HA2 0.238 4.198 3.960 -0.001 0.000 0.219 427 G HA3 0.238 4.198 3.960 -0.001 0.000 0.219 427 G C -0.494 174.377 174.900 -0.047 0.000 0.877 427 G CA -0.238 44.849 45.100 -0.022 0.000 0.718 427 G HN 0.428 nan 8.290 nan 0.000 0.518 428 L N 0.164 121.372 121.223 -0.026 0.000 2.117 428 L HA 0.601 4.940 4.340 -0.001 0.000 0.200 428 L C 0.986 177.802 176.870 -0.090 0.000 1.110 428 L CA 1.293 56.090 54.840 -0.073 0.000 0.774 428 L CB 0.000 42.047 42.059 -0.020 0.000 0.934 428 L HN 0.202 nan 8.230 nan 0.000 0.456 429 S N -1.473 114.224 115.700 -0.006 0.000 2.634 429 S HA 0.801 5.271 4.470 -0.001 0.000 0.296 429 S C -0.998 173.659 174.600 0.095 0.000 1.104 429 S CA -0.029 58.187 58.200 0.026 0.000 0.920 429 S CB 1.208 64.454 63.200 0.076 0.000 1.111 429 S HN 0.647 nan 8.310 nan 0.000 0.493 430 S N 1.102 116.888 115.700 0.142 0.000 2.543 430 S HA 0.766 5.236 4.470 -0.001 0.000 0.274 430 S C -1.413 173.433 174.600 0.410 0.000 1.149 430 S CA -0.718 57.658 58.200 0.292 0.000 0.866 430 S CB 1.351 64.696 63.200 0.241 0.000 1.111 430 S HN 0.596 nan 8.310 nan 0.000 0.457 431 S N 1.161 117.138 115.700 0.462 0.000 2.536 431 S HA 0.710 5.180 4.470 -0.001 0.000 0.271 431 S C -0.704 173.949 174.600 0.088 0.000 1.134 431 S CA -0.887 57.506 58.200 0.321 0.000 0.897 431 S CB 1.135 64.503 63.200 0.281 0.000 1.094 431 S HN 1.073 nan 8.310 nan 0.000 0.473 432 I N -0.888 119.527 120.570 -0.259 0.000 2.603 432 I HA 0.762 4.932 4.170 -0.001 0.000 0.300 432 I C -1.602 174.418 176.117 -0.161 0.000 1.017 432 I CA -0.936 60.206 61.300 -0.264 0.000 1.098 432 I CB 1.404 38.965 38.000 -0.731 0.000 1.279 432 I HN 0.476 nan 8.210 nan 0.000 0.437 433 F N 3.060 123.053 119.950 0.071 0.000 2.427 433 F HA 0.697 5.224 4.527 -0.000 0.000 0.348 433 F C 0.316 176.207 175.800 0.151 0.000 1.125 433 F CA -0.385 57.670 58.000 0.093 0.000 0.989 433 F CB 2.048 41.113 39.000 0.109 0.000 1.165 433 F HN 0.700 nan 8.300 nan 0.000 0.442 434 T N 1.815 116.455 114.554 0.143 0.000 2.775 434 T HA 0.263 4.612 4.350 -0.001 0.000 0.320 434 T C -0.168 174.538 174.700 0.009 0.000 1.597 434 T CA -0.726 61.419 62.100 0.075 0.000 1.022 434 T CB 1.564 70.369 68.868 -0.105 0.000 1.485 434 T HN 0.659 nan 8.240 nan 0.000 0.494 435 K N 0.511 120.914 120.400 0.006 0.000 2.355 435 K HA 0.183 4.503 4.320 -0.001 0.000 0.198 435 K C 0.046 176.638 176.600 -0.013 0.000 1.039 435 K CA -0.334 55.954 56.287 0.002 0.000 1.075 435 K CB 0.434 32.946 32.500 0.019 0.000 0.870 435 K HN 0.452 nan 8.250 nan 0.000 0.540 436 D N 1.873 122.246 120.400 -0.046 0.000 2.338 436 D HA -0.023 4.617 4.640 -0.001 0.000 0.255 436 D C 0.904 177.196 176.300 -0.013 0.000 1.237 436 D CA -0.096 53.877 54.000 -0.046 0.000 0.883 436 D CB 1.214 41.953 40.800 -0.101 0.000 1.087 436 D HN -0.063 nan 8.370 nan 0.000 0.485 437 L N 5.454 126.701 121.223 0.039 0.000 2.012 437 L HA -0.022 4.318 4.340 -0.001 0.000 0.210 437 L C 2.177 179.165 176.870 0.197 0.000 1.073 437 L CA 2.422 57.339 54.840 0.128 0.000 0.748 437 L CB -0.707 41.421 42.059 0.115 0.000 0.891 437 L HN 0.575 nan 8.230 nan 0.000 0.431 438 G N -0.991 107.874 108.800 0.109 0.000 2.418 438 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.217 438 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.217 438 G C 1.793 176.767 174.900 0.123 0.000 1.158 438 G CA 0.770 45.940 45.100 0.117 0.000 0.771 438 G HN 0.439 nan 8.290 nan 0.000 0.545 439 R N 0.061 120.579 120.500 0.030 0.000 2.081 439 R HA 0.016 4.356 4.340 -0.001 0.000 0.235 439 R C 2.532 178.884 176.300 0.086 0.000 1.131 439 R CA 1.183 57.278 56.100 -0.008 0.000 0.960 439 R CB -0.349 29.798 30.300 -0.255 0.000 0.856 439 R HN 0.417 nan 8.270 nan 0.000 0.436 440 I N 0.107 120.692 120.570 0.025 0.000 2.163 440 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 440 I C 1.842 177.938 176.117 -0.034 0.000 1.085 440 I CA 1.527 62.812 61.300 -0.026 0.000 1.347 440 I CB -0.270 37.659 38.000 -0.117 0.000 1.044 440 I HN 0.146 nan 8.210 nan 0.000 0.408 441 F N 0.616 120.613 119.950 0.078 0.000 2.259 441 F HA -0.095 4.432 4.527 -0.001 0.000 0.298 441 F C 2.632 178.486 175.800 0.090 0.000 1.088 441 F CA 1.113 59.153 58.000 0.066 0.000 1.358 441 F CB -0.389 38.631 39.000 0.033 0.000 1.040 441 F HN -0.122 nan 8.300 nan 0.000 0.505 442 R N -0.567 120.100 120.500 0.278 0.000 2.081 442 R HA -0.239 4.101 4.340 -0.001 0.000 0.235 442 R C 2.269 178.742 176.300 0.287 0.000 1.131 442 R CA 1.613 57.880 56.100 0.278 0.000 0.960 442 R CB -0.956 29.528 30.300 0.308 0.000 0.856 442 R HN 0.500 nan 8.270 nan 0.000 0.436 443 W N 1.555 122.862 121.300 0.011 0.000 2.342 443 W HA -0.170 4.490 4.660 -0.000 0.000 0.297 443 W C 1.048 177.409 176.519 -0.265 0.000 1.213 443 W CA 1.114 58.249 57.345 -0.351 0.000 1.251 443 W CB 0.025 29.281 29.460 -0.339 0.000 1.136 443 W HN 0.107 nan 8.180 nan 0.000 0.526 444 L N 0.277 121.434 121.223 -0.109 0.000 2.554 444 L HA 0.168 4.508 4.340 -0.001 0.000 0.226 444 L C 1.504 178.288 176.870 -0.143 0.000 1.137 444 L CA 0.342 55.051 54.840 -0.218 0.000 0.863 444 L CB -0.895 41.056 42.059 -0.180 0.000 0.985 444 L HN -0.131 nan 8.230 nan 0.000 0.451 445 G N -0.272 108.489 108.800 -0.065 0.000 2.671 445 G HA2 0.294 4.253 3.960 -0.001 0.000 0.275 445 G HA3 0.294 4.253 3.960 -0.001 0.000 0.275 445 G C -1.791 173.078 174.900 -0.052 0.000 1.368 445 G CA -0.520 44.568 45.100 -0.019 0.000 1.044 445 G HN -0.127 nan 8.290 nan 0.000 0.543 446 P HA 0.046 nan 4.420 nan 0.000 0.226 446 P C 0.695 177.985 177.300 -0.017 0.000 1.153 446 P CA 0.871 63.954 63.100 -0.028 0.000 0.777 446 P CB 0.359 32.053 31.700 -0.009 0.000 0.794 447 K N -0.222 120.192 120.400 0.023 0.000 2.399 447 K HA 0.306 4.626 4.320 -0.001 0.000 0.204 447 K C 1.252 177.925 176.600 0.121 0.000 1.023 447 K CA -0.006 56.323 56.287 0.070 0.000 1.127 447 K CB 0.656 33.216 32.500 0.099 0.000 0.856 447 K HN 0.112 nan 8.250 nan 0.000 0.514 448 G N 0.644 109.427 108.800 -0.028 0.000 2.773 448 G HA2 0.070 4.029 3.960 -0.001 0.000 0.186 448 G HA3 0.070 4.029 3.960 -0.001 0.000 0.186 448 G C -0.453 174.162 174.900 -0.476 0.000 1.411 448 G CA -0.357 44.592 45.100 -0.252 0.000 1.054 448 G HN 0.113 nan 8.290 nan 0.000 0.579 449 S N 0.062 115.159 115.700 -1.005 0.000 2.549 449 S HA 0.106 4.575 4.470 -0.001 0.000 0.286 449 S C 0.876 175.156 174.600 -0.533 0.000 1.314 449 S CA 0.395 57.992 58.200 -1.005 0.000 1.062 449 S CB 0.607 62.804 63.200 -1.671 0.000 0.865 449 S HN 0.560 nan 8.310 nan 0.000 0.498 450 D N 2.534 122.734 120.400 -0.333 0.000 2.340 450 D HA 0.131 4.771 4.640 -0.001 0.000 0.217 450 D C 0.382 176.566 176.300 -0.194 0.000 1.081 450 D CA -0.223 53.649 54.000 -0.213 0.000 0.842 450 D CB -0.794 39.931 40.800 -0.125 0.000 0.934 450 D HN 0.288 nan 8.370 nan 0.000 0.511 451 C N -0.370 118.782 119.300 -0.245 0.000 2.347 451 C HA 0.677 5.137 4.460 -0.001 0.000 0.366 451 C C 2.256 177.125 174.990 -0.201 0.000 1.241 451 C CA -0.185 58.721 59.018 -0.187 0.000 2.360 451 C CB 1.094 28.734 27.740 -0.166 0.000 2.290 451 C HN 0.442 nan 8.230 nan 0.000 0.587 452 G N 0.247 108.937 108.800 -0.183 0.000 2.464 452 G HA2 0.113 4.073 3.960 -0.001 0.000 0.217 452 G HA3 0.113 4.073 3.960 -0.001 0.000 0.217 452 G C 0.380 175.151 174.900 -0.215 0.000 1.138 452 G CA 0.786 45.764 45.100 -0.204 0.000 0.793 452 G HN 0.570 nan 8.290 nan 0.000 0.539 453 I N 1.357 121.808 120.570 -0.198 0.000 2.418 453 I HA 0.389 4.558 4.170 -0.001 0.000 0.287 453 I C -1.028 175.013 176.117 -0.126 0.000 1.008 453 I CA -0.954 60.258 61.300 -0.147 0.000 1.104 453 I CB 1.769 39.702 38.000 -0.112 0.000 1.264 453 I HN -0.273 nan 8.210 nan 0.000 0.438 454 V N 6.485 126.317 119.914 -0.138 0.000 2.385 454 V HA 0.416 4.536 4.120 -0.001 0.000 0.277 454 V C -0.235 175.859 176.094 -0.001 0.000 1.012 454 V CA -0.652 61.531 62.300 -0.195 0.000 0.832 454 V CB 1.419 32.963 31.823 -0.464 0.000 1.028 454 V HN 0.639 nan 8.190 nan 0.000 0.436 455 N N 2.396 121.213 118.700 0.195 0.000 2.443 455 N HA 0.773 5.513 4.740 -0.001 0.000 0.293 455 N C -0.902 174.697 175.510 0.149 0.000 1.159 455 N CA -0.448 52.683 53.050 0.135 0.000 0.904 455 N CB 2.545 41.086 38.487 0.091 0.000 1.214 455 N HN 0.328 nan 8.380 nan 0.000 0.513 456 V N 2.234 122.118 119.914 -0.051 0.000 2.569 456 V HA 0.314 4.434 4.120 -0.001 0.000 0.301 456 V C -0.182 175.695 176.094 -0.361 0.000 1.044 456 V CA -0.789 61.388 62.300 -0.204 0.000 0.874 456 V CB 1.267 33.009 31.823 -0.134 0.000 1.002 456 V HN 0.704 nan 8.190 nan 0.000 0.424 457 N N 2.465 120.704 118.700 -0.768 0.000 2.741 457 N HA -0.195 4.545 4.740 -0.001 0.000 0.251 457 N C -0.566 174.590 175.510 -0.591 0.000 1.112 457 N CA 1.406 53.899 53.050 -0.928 0.000 0.750 457 N CB -0.629 37.671 38.487 -0.311 0.000 1.119 457 N HN 0.777 nan 8.380 nan 0.000 0.561 458 I N -0.820 119.433 120.570 -0.528 0.000 2.752 458 I HA 0.419 4.589 4.170 -0.001 0.000 0.295 458 I C -2.440 173.746 176.117 0.115 0.000 1.219 458 I CA -1.886 59.394 61.300 -0.033 0.000 1.030 458 I CB 2.821 40.821 38.000 -0.001 0.000 1.259 458 I HN -0.264 nan 8.210 nan 0.000 0.423 459 P HA 0.153 nan 4.420 nan 0.000 0.293 459 P C 0.505 177.973 177.300 0.281 0.000 1.298 459 P CA 0.134 63.477 63.100 0.405 0.000 0.757 459 P CB 0.205 32.159 31.700 0.423 0.000 1.262 460 T N -4.608 110.106 114.554 0.267 0.000 3.035 460 T HA -0.039 4.311 4.350 -0.001 0.000 0.268 460 T C 1.738 176.561 174.700 0.204 0.000 1.109 460 T CA 0.973 63.204 62.100 0.219 0.000 1.119 460 T CB -1.110 67.884 68.868 0.210 0.000 0.900 460 T HN 0.212 nan 8.240 nan 0.000 0.503 461 S N 0.923 116.757 115.700 0.224 0.000 2.603 461 S HA 0.301 4.771 4.470 -0.001 0.000 0.220 461 S C 1.261 176.010 174.600 0.248 0.000 0.967 461 S CA -0.048 58.291 58.200 0.233 0.000 0.920 461 S CB -0.444 62.878 63.200 0.203 0.000 0.773 461 S HN 0.791 nan 8.310 nan 0.000 0.529 462 G N 1.378 110.307 108.800 0.216 0.000 2.372 462 G HA2 0.578 4.538 3.960 -0.001 0.000 0.286 462 G HA3 0.578 4.538 3.960 -0.001 0.000 0.286 462 G C -0.457 174.518 174.900 0.125 0.000 1.153 462 G CA 0.145 45.341 45.100 0.160 0.000 0.985 462 G HN 0.426 nan 8.290 nan 0.000 0.429 463 A N 3.024 125.905 122.820 0.102 0.000 2.608 463 A HA 0.851 5.171 4.320 -0.001 0.000 0.292 463 A C -0.636 176.946 177.584 -0.003 0.000 1.066 463 A CA -0.833 51.244 52.037 0.067 0.000 0.676 463 A CB 1.543 20.639 19.000 0.159 0.000 1.277 463 A HN 0.907 nan 8.150 nan 0.000 0.413 464 E N 0.174 120.338 120.200 -0.061 0.000 2.433 464 E HA 0.537 4.887 4.350 -0.001 0.000 0.278 464 E C 0.337 176.812 176.600 -0.208 0.000 0.976 464 E CA -0.425 55.913 56.400 -0.103 0.000 0.793 464 E CB 1.268 30.930 29.700 -0.064 0.000 1.311 464 E HN 0.879 nan 8.360 nan 0.000 0.460 465 I N -1.524 118.894 120.570 -0.253 0.000 2.614 465 I HA 0.094 4.264 4.170 -0.001 0.000 0.258 465 I C 1.639 177.439 176.117 -0.529 0.000 1.189 465 I CA 1.349 62.393 61.300 -0.427 0.000 1.462 465 I CB -0.304 37.456 38.000 -0.401 0.000 1.092 465 I HN 0.607 nan 8.210 nan 0.000 0.442 466 G N 1.177 109.749 108.800 -0.380 0.000 2.471 466 G HA2 0.134 4.093 3.960 -0.001 0.000 0.219 466 G HA3 0.134 4.093 3.960 -0.001 0.000 0.219 466 G C 0.834 175.634 174.900 -0.167 0.000 1.125 466 G CA 0.487 45.404 45.100 -0.304 0.000 0.775 466 G HN 0.588 nan 8.290 nan 0.000 0.548 467 G N -0.864 107.840 108.800 -0.161 0.000 2.461 467 G HA2 0.590 4.549 3.960 -0.001 0.000 0.329 467 G HA3 0.590 4.549 3.960 -0.001 0.000 0.329 467 G C -0.204 174.621 174.900 -0.125 0.000 1.170 467 G CA 0.022 45.059 45.100 -0.105 0.000 0.935 467 G HN 0.448 nan 8.290 nan 0.000 0.492 468 A N -0.019 122.749 122.820 -0.085 0.000 2.450 468 A HA 0.532 4.852 4.320 -0.001 0.000 0.255 468 A C -0.936 176.603 177.584 -0.075 0.000 1.096 468 A CA -0.207 51.782 52.037 -0.080 0.000 0.778 468 A CB 0.124 19.081 19.000 -0.071 0.000 1.031 468 A HN 0.718 nan 8.150 nan 0.000 0.494 469 F N 2.524 122.327 119.950 -0.245 0.000 2.444 469 F HA 0.646 5.173 4.527 -0.001 0.000 0.342 469 F C 0.489 176.202 175.800 -0.145 0.000 1.121 469 F CA 0.832 58.681 58.000 -0.251 0.000 0.997 469 F CB 1.432 40.149 39.000 -0.472 0.000 1.130 469 F HN 1.022 nan 8.300 nan 0.000 0.454 470 G N 2.642 110.963 108.800 -0.799 0.000 2.341 470 G HA2 0.452 4.412 3.960 -0.001 0.000 0.293 470 G HA3 0.452 4.412 3.960 -0.001 0.000 0.293 470 G C -1.483 173.172 174.900 -0.408 0.000 1.298 470 G CA -0.223 44.564 45.100 -0.522 0.000 0.868 470 G HN 1.071 nan 8.290 nan 0.000 0.540 471 G N -1.434 107.229 108.800 -0.229 0.000 2.818 471 G HA2 0.726 4.685 3.960 -0.001 0.000 0.286 471 G HA3 0.726 4.685 3.960 -0.001 0.000 0.286 471 G C -1.175 173.669 174.900 -0.093 0.000 1.364 471 G CA -0.394 44.611 45.100 -0.159 0.000 0.938 471 G HN 0.540 nan 8.290 nan 0.000 0.490 472 E N -0.267 119.891 120.200 -0.069 0.000 2.396 472 E HA 0.445 4.795 4.350 -0.001 0.000 0.251 472 E C 0.084 176.687 176.600 0.006 0.000 0.949 472 E CA -0.593 55.782 56.400 -0.041 0.000 0.834 472 E CB 1.680 31.344 29.700 -0.060 0.000 1.309 472 E HN 0.646 nan 8.360 nan 0.000 0.405 473 K N -0.328 120.090 120.400 0.030 0.000 1.844 473 K HA -0.284 4.035 4.320 -0.001 0.000 0.160 473 K C 1.285 177.993 176.600 0.180 0.000 1.448 473 K CA 1.582 57.932 56.287 0.105 0.000 0.446 473 K CB -1.156 31.389 32.500 0.075 0.000 0.635 473 K HN 0.640 nan 8.250 nan 0.000 0.848 474 H N 0.839 119.912 119.070 0.005 0.000 2.559 474 H HA -0.007 4.549 4.556 -0.000 0.000 0.273 474 H C 1.382 176.725 175.328 0.025 0.000 1.000 474 H CA 1.037 57.095 56.048 0.017 0.000 1.195 474 H CB -0.027 29.751 29.762 0.027 0.000 1.368 474 H HN 0.389 nan 8.280 nan 0.000 0.592 475 T N -0.933 113.696 114.554 0.124 0.000 3.035 475 T HA 0.021 4.371 4.350 -0.001 0.000 0.268 475 T C 1.848 176.579 174.700 0.052 0.000 1.109 475 T CA 0.913 63.057 62.100 0.074 0.000 1.119 475 T CB 0.139 69.024 68.868 0.028 0.000 0.900 475 T HN 0.717 nan 8.240 nan 0.000 0.503 476 G N 0.208 109.029 108.800 0.034 0.000 2.238 476 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.217 476 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.217 476 G C 1.055 175.956 174.900 0.002 0.000 0.996 476 G CA 0.218 45.329 45.100 0.018 0.000 0.632 476 G HN 1.229 nan 8.290 nan 0.000 0.503 477 G N -0.712 108.082 108.800 -0.011 0.000 2.217 477 G HA2 0.199 4.159 3.960 -0.001 0.000 0.246 477 G HA3 0.199 4.159 3.960 -0.001 0.000 0.246 477 G C 1.540 176.420 174.900 -0.034 0.000 0.990 477 G CA 1.070 46.153 45.100 -0.029 0.000 0.627 477 G HN 2.146 nan 8.290 nan 0.000 0.522 478 G N -0.228 108.563 108.800 -0.014 0.000 2.594 478 G HA2 0.530 4.489 3.960 -0.001 0.000 0.243 478 G HA3 0.530 4.489 3.960 -0.001 0.000 0.243 478 G C -0.021 174.867 174.900 -0.020 0.000 1.229 478 G CA -0.162 44.931 45.100 -0.012 0.000 0.843 478 G HN 0.395 nan 8.290 nan 0.000 0.578 479 R N 0.176 120.669 120.500 -0.012 0.000 2.744 479 R HA 0.473 4.813 4.340 -0.001 0.000 0.279 479 R C -0.635 175.713 176.300 0.081 0.000 0.977 479 R CA -0.656 55.445 56.100 0.003 0.000 0.906 479 R CB 2.288 32.565 30.300 -0.039 0.000 1.197 479 R HN 0.732 nan 8.270 nan 0.000 0.463 480 E N -0.083 120.177 120.200 0.099 0.000 2.359 480 E HA 0.490 4.840 4.350 -0.001 0.000 0.266 480 E C -0.266 176.288 176.600 -0.078 0.000 0.920 480 E CA -0.733 55.737 56.400 0.118 0.000 0.788 480 E CB 2.262 32.093 29.700 0.217 0.000 1.279 480 E HN 0.598 nan 8.360 nan 0.000 0.438 481 S N -0.695 114.947 115.700 -0.098 0.000 4.156 481 S HA -0.181 4.289 4.470 -0.001 0.000 0.623 481 S C 0.742 175.287 174.600 -0.091 0.000 1.870 481 S CA 0.921 58.963 58.200 -0.263 0.000 4.247 481 S CB -1.638 61.149 63.200 -0.687 0.000 0.202 481 S HN 0.847 nan 8.310 nan 0.000 0.460 482 G N 0.233 108.937 108.800 -0.160 0.000 2.606 482 G HA2 0.589 4.549 3.960 -0.001 0.000 0.262 482 G HA3 0.589 4.549 3.960 -0.001 0.000 0.262 482 G C 0.569 175.514 174.900 0.075 0.000 1.394 482 G CA 0.944 46.017 45.100 -0.045 0.000 1.044 482 G HN 1.919 nan 8.290 nan 0.000 0.553 483 S N -0.643 115.127 115.700 0.118 0.000 3.711 483 S HA -0.324 4.146 4.470 -0.001 0.000 0.625 483 S C 0.961 175.634 174.600 0.122 0.000 2.458 483 S CA 2.232 60.490 58.200 0.097 0.000 4.059 483 S CB -1.377 61.828 63.200 0.009 0.000 0.257 483 S HN 1.316 nan 8.310 nan 0.000 0.974 484 D N 1.420 121.797 120.400 -0.038 0.000 2.587 484 D HA 0.589 5.229 4.640 -0.001 0.000 0.233 484 D C 1.149 177.192 176.300 -0.427 0.000 1.213 484 D CA 0.789 54.602 54.000 -0.311 0.000 0.827 484 D CB -0.430 40.117 40.800 -0.421 0.000 1.006 484 D HN 0.728 nan 8.370 nan 0.000 0.490 485 A N 1.123 123.874 122.820 -0.116 0.000 1.986 485 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 485 A C 1.963 179.603 177.584 0.094 0.000 1.171 485 A CA 1.318 53.347 52.037 -0.013 0.000 0.640 485 A CB -1.400 17.656 19.000 0.093 0.000 0.811 485 A HN 0.673 nan 8.150 nan 0.000 0.451 486 W N 0.488 121.851 121.300 0.104 0.000 2.331 486 W HA -0.218 4.442 4.660 -0.000 0.000 0.291 486 W C 1.203 177.793 176.519 0.119 0.000 1.214 486 W CA 1.313 58.734 57.345 0.127 0.000 1.228 486 W CB -0.832 28.607 29.460 -0.034 0.000 1.135 486 W HN 0.302 nan 8.180 nan 0.000 0.537 487 K N 0.987 120.909 120.400 -0.797 0.000 2.211 487 K HA -0.185 4.135 4.320 -0.001 0.000 0.204 487 K C 2.133 178.667 176.600 -0.111 0.000 1.047 487 K CA 1.899 57.684 56.287 -0.837 0.000 0.935 487 K CB -0.353 31.398 32.500 -1.248 0.000 0.728 487 K HN 0.305 nan 8.250 nan 0.000 0.452 488 Q N -0.620 119.139 119.800 -0.068 0.000 2.364 488 Q HA -0.116 4.224 4.340 -0.001 0.000 0.207 488 Q C 0.561 176.474 176.000 -0.145 0.000 0.970 488 Q CA 1.063 56.795 55.803 -0.118 0.000 0.888 488 Q CB 0.115 28.692 28.738 -0.268 0.000 0.951 488 Q HN 0.463 nan 8.270 nan 0.000 0.469 489 Y N -0.916 119.468 120.300 0.139 0.000 2.485 489 Y HA 0.290 4.839 4.550 -0.001 0.000 0.260 489 Y C 0.441 176.489 175.900 0.247 0.000 1.173 489 Y CA -0.199 58.012 58.100 0.184 0.000 1.252 489 Y CB 0.497 39.074 38.460 0.195 0.000 1.123 489 Y HN -0.002 nan 8.280 nan 0.000 0.524 490 M N 0.238 120.088 119.600 0.417 0.000 2.631 490 M HA 0.442 4.921 4.480 -0.001 0.000 0.288 490 M C -0.883 175.693 176.300 0.460 0.000 1.260 490 M CA -1.006 54.588 55.300 0.489 0.000 0.842 490 M CB 3.039 36.063 32.600 0.708 0.000 1.743 490 M HN -0.020 nan 8.290 nan 0.000 0.461 491 R N 0.970 121.674 120.500 0.340 0.000 2.393 491 R HA 0.638 4.978 4.340 -0.001 0.000 0.310 491 R C -0.809 175.415 176.300 -0.126 0.000 0.968 491 R CA -0.871 55.300 56.100 0.117 0.000 0.867 491 R CB 1.914 32.246 30.300 0.054 0.000 1.124 491 R HN 0.660 nan 8.270 nan 0.000 0.450 492 R N 2.130 122.318 120.500 -0.520 0.000 2.357 492 R HA 0.198 4.537 4.340 -0.001 0.000 0.296 492 R C -0.907 175.100 176.300 -0.489 0.000 1.052 492 R CA -0.193 55.283 56.100 -1.040 0.000 0.988 492 R CB 1.088 30.683 30.300 -1.176 0.000 1.025 492 R HN 0.964 nan 8.270 nan 0.000 0.469 493 S N 1.540 116.984 115.700 -0.427 0.000 2.542 493 S HA 0.435 4.905 4.470 -0.001 0.000 0.293 493 S C -0.852 173.630 174.600 -0.198 0.000 1.089 493 S CA -0.790 57.272 58.200 -0.230 0.000 0.961 493 S CB 2.192 65.313 63.200 -0.132 0.000 1.062 493 S HN 0.498 nan 8.310 nan 0.000 0.483 494 T N 2.015 116.494 114.554 -0.125 0.000 2.772 494 T HA 0.522 4.872 4.350 -0.001 0.000 0.288 494 T C -0.790 173.885 174.700 -0.042 0.000 0.994 494 T CA -0.430 61.624 62.100 -0.077 0.000 0.951 494 T CB -0.013 68.817 68.868 -0.064 0.000 0.933 494 T HN 0.813 nan 8.240 nan 0.000 0.447 495 C N 3.629 122.918 119.300 -0.019 0.000 2.322 495 C HA 0.639 5.098 4.460 -0.001 0.000 0.324 495 C C 0.648 175.655 174.990 0.028 0.000 1.249 495 C CA -0.897 58.122 59.018 0.002 0.000 1.453 495 C CB 0.401 28.143 27.740 0.003 0.000 2.145 495 C HN 0.826 nan 8.230 nan 0.000 0.466 496 T N 4.381 118.958 114.554 0.038 0.000 2.758 496 T HA 0.554 4.903 4.350 -0.001 0.000 0.285 496 T C -0.259 174.487 174.700 0.077 0.000 0.981 496 T CA -0.044 62.100 62.100 0.073 0.000 0.965 496 T CB 0.483 69.400 68.868 0.081 0.000 0.927 496 T HN 0.479 nan 8.240 nan 0.000 0.448 497 I N 3.889 124.513 120.570 0.089 0.000 2.382 497 I HA 0.288 4.457 4.170 -0.001 0.000 0.285 497 I C 0.051 176.136 176.117 -0.052 0.000 1.007 497 I CA -0.918 60.414 61.300 0.054 0.000 1.142 497 I CB 1.208 39.266 38.000 0.096 0.000 1.289 497 I HN 0.451 nan 8.210 nan 0.000 0.453 498 N N 6.306 124.875 118.700 -0.219 0.000 2.415 498 N HA 0.025 4.764 4.740 -0.001 0.000 0.250 498 N C 0.142 175.447 175.510 -0.340 0.000 1.127 498 N CA -0.188 52.472 53.050 -0.650 0.000 0.945 498 N CB 0.343 38.478 38.487 -0.586 0.000 1.196 498 N HN 0.482 nan 8.380 nan 0.000 0.499 499 Y N 0.969 121.123 120.300 -0.245 0.000 2.457 499 Y HA 0.522 5.072 4.550 -0.001 0.000 0.263 499 Y C 0.176 176.012 175.900 -0.107 0.000 1.164 499 Y CA -0.863 57.161 58.100 -0.126 0.000 1.274 499 Y CB -0.259 38.154 38.460 -0.078 0.000 1.097 499 Y HN 0.109 nan 8.280 nan 0.000 0.523 500 S N 0.000 115.530 115.700 -0.284 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.106 58.200 -0.157 0.000 1.107 500 S CB 0.000 63.037 63.200 -0.272 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517