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 2e1v_1_B DATA FIRST_RESID 6 DATA SEQUENCE ILTVLEQSQV SPPPDTLGDK SLQLTFFDFF WLRSPPINNL FFYELPITRS DATA SEQUENCE QFTETVVPNI KHSLSITLKH FYPFVGKLVV YPAPTKKPEI CYVEGDSVAV DATA SEQUENCE TFAECNLDLN ELTGNHPRNc DKFYDLVPIL GESTRLSDCI KIPLFSVQVT DATA SEQUENCE LFPNQGIAIG ITNHHCLGDA STRFCFLKAW TSIARSGNND ESFLANGTRP DATA SEQUENCE LYDRIIKYPX LDEAYLKRAK VESFNEDYVT QSLAGPSDKL RATFILTRAV DATA SEQUENCE INQLKDRVLA QLPTLEYVSS FTVACAYIWS CIAKSRNDKL QLFGFPIDRR DATA SEQUENCE ARXKPPIPTA YFGNCVGGCA AIAKTNLLIG KEGFITAAKL IGENLHKTLT DATA SEQUENCE DYKDGVLKDX XXXXNDLVSE GXPTTXTWVS GTPKLRFYDX DFGWGKPKKL DATA SEQUENCE ETVSIDHNGA ISINSCKESN EDLEIGVcIS ATQXEDFVHI FDDGL 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.058 176.117 -0.099 0.000 1.063 6 I CA 0.000 61.259 61.300 -0.068 0.000 1.566 6 I CB 0.000 37.967 38.000 -0.054 0.000 1.214 7 L N 1.440 122.614 121.223 -0.082 0.000 2.410 7 L HA 0.703 5.043 4.340 -0.001 0.000 0.270 7 L C -0.839 175.989 176.870 -0.069 0.000 0.983 7 L CA 0.178 54.960 54.840 -0.097 0.000 0.822 7 L CB 2.008 44.021 42.059 -0.078 0.000 1.285 7 L HN 0.025 nan 8.230 nan 0.000 0.409 8 T N 3.777 118.285 114.554 -0.078 0.000 2.812 8 T HA 0.456 4.805 4.350 -0.001 0.000 0.282 8 T C -0.674 174.012 174.700 -0.023 0.000 0.990 8 T CA -0.378 61.695 62.100 -0.045 0.000 0.960 8 T CB 1.564 70.402 68.868 -0.049 0.000 0.948 8 T HN 0.278 nan 8.240 nan 0.000 0.438 9 V N 5.689 125.605 119.914 0.004 0.000 2.427 9 V HA 0.190 4.309 4.120 -0.001 0.000 0.268 9 V C 1.157 177.287 176.094 0.060 0.000 1.046 9 V CA -0.008 62.314 62.300 0.037 0.000 0.970 9 V CB 0.540 32.384 31.823 0.036 0.000 1.001 9 V HN 0.847 nan 8.190 nan 0.000 0.476 10 L N 3.032 124.319 121.223 0.107 0.000 2.168 10 L HA 0.333 4.672 4.340 -0.001 0.000 0.203 10 L C 0.987 177.937 176.870 0.134 0.000 1.078 10 L CA 0.862 55.775 54.840 0.122 0.000 0.780 10 L CB 0.235 42.401 42.059 0.179 0.000 0.939 10 L HN 0.682 nan 8.230 nan 0.000 0.451 11 E N -0.226 120.096 120.200 0.204 0.000 2.335 11 E HA 0.180 4.530 4.350 -0.001 0.000 0.280 11 E C -1.348 175.390 176.600 0.231 0.000 0.918 11 E CA -0.547 55.975 56.400 0.205 0.000 0.765 11 E CB 1.488 31.312 29.700 0.207 0.000 1.218 11 E HN -0.066 nan 8.360 nan 0.000 0.425 12 Q N 2.337 122.226 119.800 0.148 0.000 2.431 12 Q HA 0.294 4.633 4.340 -0.001 0.000 0.249 12 Q C -0.664 175.408 176.000 0.120 0.000 1.025 12 Q CA -0.354 55.516 55.803 0.111 0.000 0.835 12 Q CB 1.632 30.410 28.738 0.066 0.000 1.207 12 Q HN 0.594 nan 8.270 nan 0.000 0.490 13 S N 2.233 118.025 115.700 0.152 0.000 2.704 13 S HA 0.631 5.100 4.470 -0.001 0.000 0.305 13 S C -0.305 174.355 174.600 0.101 0.000 1.107 13 S CA -0.776 57.516 58.200 0.154 0.000 0.993 13 S CB 2.194 65.554 63.200 0.267 0.000 1.110 13 S HN 0.343 nan 8.310 nan 0.000 0.534 14 Q N 0.930 120.786 119.800 0.094 0.000 2.321 14 Q HA 0.537 4.876 4.340 -0.001 0.000 0.270 14 Q C -1.417 174.637 176.000 0.090 0.000 1.032 14 Q CA -0.615 55.235 55.803 0.078 0.000 0.784 14 Q CB 2.073 30.849 28.738 0.063 0.000 1.264 14 Q HN 0.614 nan 8.270 nan 0.000 0.448 15 V N 1.833 121.803 119.914 0.094 0.000 2.417 15 V HA 0.540 4.660 4.120 -0.001 0.000 0.291 15 V C -0.123 176.031 176.094 0.100 0.000 1.024 15 V CA -0.321 62.038 62.300 0.099 0.000 0.861 15 V CB 1.835 33.721 31.823 0.105 0.000 0.985 15 V HN 0.696 nan 8.190 nan 0.000 0.436 16 S N 5.486 121.243 115.700 0.095 0.000 2.638 16 S HA 0.693 5.162 4.470 -0.001 0.000 0.302 16 S C -2.667 171.981 174.600 0.079 0.000 1.096 16 S CA -1.225 57.041 58.200 0.110 0.000 0.953 16 S CB 2.187 65.458 63.200 0.118 0.000 1.107 16 S HN 0.542 nan 8.310 nan 0.000 0.503 17 P HA 0.243 nan 4.420 nan 0.000 0.270 17 P C -2.592 174.731 177.300 0.038 0.000 1.227 17 P CA -0.950 62.159 63.100 0.015 0.000 0.788 17 P CB -0.641 31.031 31.700 -0.047 0.000 0.926 18 P HA 0.111 nan 4.420 nan 0.000 0.270 18 P C -2.216 175.102 177.300 0.029 0.000 1.223 18 P CA -0.963 62.158 63.100 0.036 0.000 0.785 18 P CB -1.133 30.593 31.700 0.043 0.000 0.923 19 P HA -0.067 nan 4.420 nan 0.000 0.266 19 P C -0.387 176.924 177.300 0.018 0.000 1.195 19 P CA 0.640 63.754 63.100 0.024 0.000 0.768 19 P CB 0.136 31.846 31.700 0.017 0.000 0.838 20 D N 0.655 121.066 120.400 0.018 0.000 2.699 20 D HA -0.124 4.515 4.640 -0.001 0.000 0.239 20 D C 0.855 177.156 176.300 0.002 0.000 1.136 20 D CA 1.631 55.637 54.000 0.010 0.000 0.668 20 D CB -1.937 38.867 40.800 0.007 0.000 1.060 20 D HN 0.629 nan 8.370 nan 0.000 0.429 21 T N -3.699 110.854 114.554 -0.001 0.000 3.010 21 T HA 0.330 4.679 4.350 -0.001 0.000 0.252 21 T C 0.370 175.042 174.700 -0.046 0.000 0.963 21 T CA -0.169 61.914 62.100 -0.029 0.000 0.952 21 T CB 0.771 69.611 68.868 -0.046 0.000 1.182 21 T HN 0.090 nan 8.240 nan 0.000 0.495 22 L N 1.797 123.009 121.223 -0.017 0.000 2.438 22 L HA 0.818 5.158 4.340 -0.001 0.000 0.270 22 L C 0.152 177.079 176.870 0.095 0.000 0.972 22 L CA -0.455 54.373 54.840 -0.021 0.000 0.831 22 L CB 1.723 43.708 42.059 -0.124 0.000 1.273 22 L HN 0.350 nan 8.230 nan 0.000 0.405 23 G N 1.894 110.719 108.800 0.040 0.000 2.537 23 G HA2 0.313 4.272 3.960 -0.001 0.000 0.297 23 G HA3 0.313 4.272 3.960 -0.001 0.000 0.297 23 G C -0.900 174.058 174.900 0.096 0.000 1.310 23 G CA -0.676 44.453 45.100 0.048 0.000 1.027 23 G HN 0.579 nan 8.290 nan 0.000 0.505 24 D N 0.421 120.822 120.400 0.002 0.000 2.493 24 D HA 0.280 4.920 4.640 -0.001 0.000 0.240 24 D C 0.231 176.504 176.300 -0.044 0.000 1.142 24 D CA 0.982 54.963 54.000 -0.031 0.000 0.872 24 D CB 0.658 41.416 40.800 -0.072 0.000 1.173 24 D HN 0.138 nan 8.370 nan 0.000 0.467 25 K N 1.088 121.473 120.400 -0.026 0.000 2.523 25 K HA 0.482 4.801 4.320 -0.001 0.000 0.257 25 K C -1.053 175.514 176.600 -0.056 0.000 0.932 25 K CA -0.777 55.365 56.287 -0.242 0.000 0.812 25 K CB 2.215 34.202 32.500 -0.854 0.000 1.326 25 K HN 0.242 nan 8.250 nan 0.000 0.433 26 S N 1.316 116.998 115.700 -0.030 0.000 2.607 26 S HA 0.603 5.072 4.470 -0.001 0.000 0.303 26 S C -1.430 173.285 174.600 0.193 0.000 1.086 26 S CA -0.754 57.519 58.200 0.120 0.000 0.995 26 S CB 1.487 64.736 63.200 0.080 0.000 1.084 26 S HN 0.443 nan 8.310 nan 0.000 0.507 27 L N 2.664 124.003 121.223 0.194 0.000 2.381 27 L HA 0.506 4.845 4.340 -0.001 0.000 0.274 27 L C -0.937 176.008 176.870 0.124 0.000 0.988 27 L CA -0.347 54.578 54.840 0.142 0.000 0.824 27 L CB 1.618 43.701 42.059 0.040 0.000 1.263 27 L HN 0.468 nan 8.230 nan 0.000 0.410 28 Q N 4.161 124.035 119.800 0.124 0.000 2.354 28 Q HA 0.505 4.844 4.340 -0.001 0.000 0.244 28 Q C -0.851 175.210 176.000 0.101 0.000 0.969 28 Q CA -0.052 55.829 55.803 0.130 0.000 0.885 28 Q CB 1.620 30.435 28.738 0.128 0.000 1.241 28 Q HN 0.639 nan 8.270 nan 0.000 0.461 29 L N 0.430 121.693 121.223 0.068 0.000 2.313 29 L HA 0.619 4.958 4.340 -0.001 0.000 0.268 29 L C 0.680 177.319 176.870 -0.384 0.000 1.010 29 L CA -0.830 53.927 54.840 -0.138 0.000 0.814 29 L CB 1.872 43.823 42.059 -0.180 0.000 1.304 29 L HN 0.716 nan 8.230 nan 0.000 0.441 30 T N -3.004 111.248 114.554 -0.504 0.000 2.905 30 T HA 0.345 4.694 4.350 -0.001 0.000 0.283 30 T C 0.930 175.157 174.700 -0.788 0.000 1.031 30 T CA -0.564 61.267 62.100 -0.449 0.000 1.002 30 T CB 0.968 69.753 68.868 -0.138 0.000 1.200 30 T HN 0.495 nan 8.240 nan 0.000 0.560 31 F N -0.263 119.441 119.950 -0.411 0.000 2.192 31 F HA 0.047 4.573 4.527 -0.001 0.000 0.301 31 F C 1.627 177.174 175.800 -0.421 0.000 1.079 31 F CA 0.703 58.479 58.000 -0.374 0.000 1.303 31 F CB -1.224 37.390 39.000 -0.645 0.000 1.024 31 F HN 0.397 nan 8.300 nan 0.000 0.494 32 F N 1.785 121.031 119.950 -1.173 0.000 2.161 32 F HA -0.166 4.360 4.527 -0.001 0.000 0.300 32 F C 2.269 177.983 175.800 -0.143 0.000 1.089 32 F CA 1.605 59.191 58.000 -0.691 0.000 1.282 32 F CB -0.848 37.768 39.000 -0.640 0.000 1.010 32 F HN 0.085 nan 8.300 nan 0.000 0.485 33 D N -0.731 119.683 120.400 0.023 0.000 2.137 33 D HA -0.117 4.522 4.640 -0.001 0.000 0.202 33 D C 2.240 178.708 176.300 0.279 0.000 0.970 33 D CA 0.976 55.078 54.000 0.170 0.000 0.837 33 D CB -0.507 40.277 40.800 -0.026 0.000 0.981 33 D HN 0.171 nan 8.370 nan 0.000 0.475 34 F N 0.915 120.979 119.950 0.190 0.000 2.202 34 F HA -0.090 4.436 4.527 -0.001 0.000 0.301 34 F C 2.191 178.095 175.800 0.174 0.000 1.082 34 F CA -0.111 57.990 58.000 0.168 0.000 1.313 34 F CB -1.288 37.816 39.000 0.174 0.000 1.024 34 F HN -0.087 nan 8.300 nan 0.000 0.495 35 F N -0.703 119.348 119.950 0.168 0.000 2.147 35 F HA -0.264 4.263 4.527 -0.001 0.000 0.301 35 F C 1.464 177.066 175.800 -0.329 0.000 1.084 35 F CA 1.685 59.614 58.000 -0.118 0.000 1.268 35 F CB -0.506 38.239 39.000 -0.425 0.000 1.009 35 F HN -0.052 nan 8.300 nan 0.000 0.486 36 W N -0.663 120.801 121.300 0.273 0.000 3.353 36 W HA 0.183 4.842 4.660 -0.001 0.000 0.304 36 W C 1.597 178.253 176.519 0.228 0.000 1.273 36 W CA -0.580 56.863 57.345 0.163 0.000 1.773 36 W CB -0.341 29.187 29.460 0.114 0.000 1.095 36 W HN -0.039 nan 8.180 nan 0.000 0.676 37 L N 1.055 122.481 121.223 0.338 0.000 2.043 37 L HA -0.193 4.146 4.340 -0.001 0.000 0.212 37 L C 1.839 178.990 176.870 0.469 0.000 1.075 37 L CA 1.984 57.008 54.840 0.307 0.000 0.752 37 L CB -0.140 41.977 42.059 0.096 0.000 0.891 37 L HN -0.038 nan 8.230 nan 0.000 0.432 38 R N -1.067 119.633 120.500 0.335 0.000 2.552 38 R HA 0.191 4.530 4.340 -0.001 0.000 0.314 38 R C 0.323 176.730 176.300 0.178 0.000 1.041 38 R CA 0.173 56.461 56.100 0.313 0.000 1.076 38 R CB 0.008 30.419 30.300 0.186 0.000 1.290 38 R HN 0.372 nan 8.270 nan 0.000 0.563 39 S N 1.026 116.851 115.700 0.207 0.000 2.601 39 S HA 0.392 4.861 4.470 -0.001 0.000 0.271 39 S C -1.917 172.669 174.600 -0.022 0.000 1.305 39 S CA -1.342 56.937 58.200 0.131 0.000 1.022 39 S CB 0.991 64.381 63.200 0.316 0.000 0.940 39 S HN -0.014 nan 8.310 nan 0.000 0.525 40 P HA 0.398 nan 4.420 nan 0.000 0.274 40 P C -2.757 174.468 177.300 -0.125 0.000 1.246 40 P CA -1.564 61.433 63.100 -0.172 0.000 0.795 40 P CB -0.990 30.486 31.700 -0.374 0.000 1.006 41 P HA 0.217 nan 4.420 nan 0.000 0.269 41 P C -0.231 177.071 177.300 0.004 0.000 1.215 41 P CA 0.232 63.310 63.100 -0.037 0.000 0.780 41 P CB 0.270 31.985 31.700 0.024 0.000 0.898 42 I N 2.751 123.305 120.570 -0.026 0.000 2.353 42 I HA 0.234 4.403 4.170 -0.001 0.000 0.293 42 I C 0.279 176.393 176.117 -0.005 0.000 0.992 42 I CA -0.243 61.038 61.300 -0.031 0.000 1.268 42 I CB 0.675 38.605 38.000 -0.118 0.000 1.387 42 I HN 0.195 nan 8.210 nan 0.000 0.478 43 N N 6.349 125.048 118.700 -0.000 0.000 2.399 43 N HA 0.401 5.140 4.740 -0.001 0.000 0.284 43 N C -1.265 174.229 175.510 -0.026 0.000 1.025 43 N CA -0.657 52.397 53.050 0.006 0.000 0.885 43 N CB 1.838 40.337 38.487 0.020 0.000 1.339 43 N HN 0.539 nan 8.380 nan 0.000 0.487 44 N N 1.808 120.496 118.700 -0.020 0.000 2.240 44 N HA 0.529 5.269 4.740 -0.001 0.000 0.302 44 N C -0.928 174.534 175.510 -0.079 0.000 1.106 44 N CA -0.385 52.601 53.050 -0.107 0.000 0.778 44 N CB 2.535 40.929 38.487 -0.154 0.000 1.431 44 N HN 0.306 nan 8.380 nan 0.000 0.479 45 L N 1.591 122.676 121.223 -0.230 0.000 2.362 45 L HA 0.577 4.917 4.340 -0.001 0.000 0.271 45 L C -1.109 175.473 176.870 -0.479 0.000 1.002 45 L CA -0.734 53.952 54.840 -0.257 0.000 0.818 45 L CB 1.462 43.333 42.059 -0.315 0.000 1.298 45 L HN 0.418 nan 8.230 nan 0.000 0.420 46 F N 2.139 121.935 119.950 -0.256 0.000 2.460 46 F HA 0.460 4.986 4.527 -0.001 0.000 0.341 46 F C -0.442 175.144 175.800 -0.356 0.000 1.130 46 F CA -0.418 57.444 58.000 -0.230 0.000 0.962 46 F CB 1.222 40.238 39.000 0.026 0.000 1.171 46 F HN 0.123 nan 8.300 nan 0.000 0.436 47 F N 2.918 122.804 119.950 -0.106 0.000 2.420 47 F HA 0.511 5.038 4.527 -0.001 0.000 0.342 47 F C -0.644 174.995 175.800 -0.269 0.000 1.113 47 F CA -1.004 56.944 58.000 -0.086 0.000 1.059 47 F CB 0.949 39.896 39.000 -0.088 0.000 1.128 47 F HN 0.288 nan 8.300 nan 0.000 0.475 48 Y N 0.798 121.294 120.300 0.327 0.000 2.409 48 Y HA 0.414 4.963 4.550 -0.001 0.000 0.343 48 Y C -0.330 175.662 175.900 0.153 0.000 0.973 48 Y CA -1.158 57.111 58.100 0.280 0.000 1.064 48 Y CB 1.582 40.282 38.460 0.399 0.000 1.207 48 Y HN 0.490 nan 8.280 nan 0.000 0.452 49 E N 4.804 125.165 120.200 0.268 0.000 2.174 49 E HA 0.684 5.033 4.350 -0.001 0.000 0.282 49 E C -1.321 175.366 176.600 0.146 0.000 0.992 49 E CA -0.724 55.761 56.400 0.142 0.000 0.803 49 E CB 1.481 31.235 29.700 0.089 0.000 1.090 49 E HN 0.560 nan 8.360 nan 0.000 0.396 50 L N 0.256 121.526 121.223 0.079 0.000 2.643 50 L HA 0.457 4.797 4.340 -0.001 0.000 0.257 50 L C -2.873 174.007 176.870 0.015 0.000 0.922 50 L CA -2.161 52.709 54.840 0.051 0.000 0.909 50 L CB 1.923 44.002 42.059 0.034 0.000 1.424 50 L HN 0.181 nan 8.230 nan 0.000 0.422 51 P HA 0.266 nan 4.420 nan 0.000 0.225 51 P C -0.417 176.885 177.300 0.003 0.000 1.813 51 P CA 0.338 63.445 63.100 0.012 0.000 1.013 51 P CB 0.192 31.903 31.700 0.018 0.000 1.961 52 I N 1.967 122.530 120.570 -0.013 0.000 2.353 52 I HA 0.275 4.445 4.170 -0.001 0.000 0.293 52 I C 0.568 176.683 176.117 -0.004 0.000 0.992 52 I CA -0.281 61.010 61.300 -0.015 0.000 1.268 52 I CB 1.487 39.457 38.000 -0.051 0.000 1.387 52 I HN 0.100 nan 8.210 nan 0.000 0.478 53 T N 3.286 117.848 114.554 0.014 0.000 2.874 53 T HA 0.376 4.725 4.350 -0.001 0.000 0.281 53 T C 1.205 175.926 174.700 0.036 0.000 0.994 53 T CA -0.466 61.642 62.100 0.014 0.000 1.015 53 T CB 1.216 70.095 68.868 0.017 0.000 1.028 53 T HN 0.702 nan 8.240 nan 0.000 0.523 54 R N 0.617 121.127 120.500 0.017 0.000 2.091 54 R HA -0.082 4.257 4.340 -0.001 0.000 0.238 54 R C 2.888 179.246 176.300 0.095 0.000 1.136 54 R CA 1.733 57.861 56.100 0.046 0.000 0.959 54 R CB -0.759 29.547 30.300 0.008 0.000 0.856 54 R HN 0.643 nan 8.270 nan 0.000 0.437 55 S N 0.941 116.674 115.700 0.054 0.000 2.356 55 S HA -0.181 4.289 4.470 -0.001 0.000 0.223 55 S C 1.922 176.550 174.600 0.047 0.000 1.032 55 S CA 1.240 59.465 58.200 0.042 0.000 1.005 55 S CB -0.130 63.084 63.200 0.023 0.000 0.867 55 S HN 0.375 nan 8.310 nan 0.000 0.449 56 Q N -0.355 119.478 119.800 0.055 0.000 2.084 56 Q HA -0.104 4.236 4.340 -0.001 0.000 0.202 56 Q C 1.925 177.960 176.000 0.058 0.000 0.978 56 Q CA 1.373 57.204 55.803 0.046 0.000 0.844 56 Q CB -0.314 28.450 28.738 0.043 0.000 0.898 56 Q HN 0.545 nan 8.270 nan 0.000 0.426 57 F N 1.398 121.312 119.950 -0.060 0.000 2.069 57 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 57 F C 2.213 177.965 175.800 -0.080 0.000 1.113 57 F CA 1.887 59.843 58.000 -0.074 0.000 1.214 57 F CB -0.421 38.537 39.000 -0.070 0.000 0.978 57 F HN -0.051 nan 8.300 nan 0.000 0.474 58 T N 0.329 114.886 114.554 0.005 0.000 2.777 58 T HA -0.145 4.204 4.350 -0.001 0.000 0.266 58 T C 1.709 176.320 174.700 -0.149 0.000 1.040 58 T CA 1.556 63.587 62.100 -0.115 0.000 1.141 58 T CB -0.225 68.638 68.868 -0.009 0.000 0.868 58 T HN 0.294 nan 8.240 nan 0.000 0.444 59 E N 1.060 121.212 120.200 -0.079 0.000 2.112 59 E HA -0.046 4.303 4.350 -0.001 0.000 0.190 59 E C 2.400 178.959 176.600 -0.068 0.000 0.979 59 E CA 1.647 58.010 56.400 -0.061 0.000 0.814 59 E CB -0.448 29.238 29.700 -0.023 0.000 0.762 59 E HN 0.737 nan 8.360 nan 0.000 0.460 60 T N -2.313 112.198 114.554 -0.072 0.000 3.075 60 T HA 0.136 4.485 4.350 -0.001 0.000 0.251 60 T C 2.186 176.846 174.700 -0.067 0.000 0.979 60 T CA 0.273 62.349 62.100 -0.040 0.000 1.033 60 T CB -0.505 68.373 68.868 0.017 0.000 1.104 60 T HN -0.073 nan 8.240 nan 0.000 0.473 61 V N 2.299 122.126 119.914 -0.144 0.000 2.261 61 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 61 V C 2.859 178.790 176.094 -0.272 0.000 1.047 61 V CA 1.718 63.919 62.300 -0.164 0.000 1.015 61 V CB -0.856 30.775 31.823 -0.320 0.000 0.642 61 V HN 0.358 nan 8.190 nan 0.000 0.446 62 V N 0.938 120.492 119.914 -0.599 0.000 2.231 62 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 62 V C 0.251 176.130 176.094 -0.358 0.000 1.054 62 V CA 2.856 64.685 62.300 -0.784 0.000 1.015 62 V CB -2.082 29.134 31.823 -1.011 0.000 0.638 62 V HN 0.539 nan 8.190 nan 0.000 0.444 63 P HA -0.084 nan 4.420 nan 0.000 0.218 63 P C 1.153 178.496 177.300 0.071 0.000 1.149 63 P CA 1.319 64.383 63.100 -0.060 0.000 0.817 63 P CB -0.175 31.494 31.700 -0.052 0.000 0.785 64 N N -0.229 118.515 118.700 0.073 0.000 2.142 64 N HA -0.085 4.654 4.740 -0.001 0.000 0.186 64 N C 1.801 177.445 175.510 0.223 0.000 1.023 64 N CA 0.872 54.009 53.050 0.145 0.000 0.852 64 N CB -0.774 37.785 38.487 0.120 0.000 0.998 64 N HN 0.061 nan 8.380 nan 0.000 0.424 65 I N 1.720 122.440 120.570 0.249 0.000 2.127 65 I HA -0.253 3.916 4.170 -0.001 0.000 0.241 65 I C 1.964 178.348 176.117 0.444 0.000 1.075 65 I CA 1.297 62.846 61.300 0.415 0.000 1.334 65 I CB -0.799 37.503 38.000 0.504 0.000 1.040 65 I HN 0.188 nan 8.210 nan 0.000 0.405 66 K N -0.602 120.010 120.400 0.354 0.000 2.032 66 K HA -0.254 4.065 4.320 -0.001 0.000 0.209 66 K C 2.289 179.045 176.600 0.259 0.000 1.048 66 K CA 1.592 58.048 56.287 0.282 0.000 0.927 66 K CB -0.372 32.244 32.500 0.195 0.000 0.712 66 K HN 0.274 nan 8.250 nan 0.000 0.441 67 H N 0.993 120.139 119.070 0.127 0.000 2.326 67 H HA -0.049 4.507 4.556 -0.001 0.000 0.301 67 H C 2.099 177.491 175.328 0.107 0.000 1.081 67 H CA 1.929 58.032 56.048 0.092 0.000 1.334 67 H CB -0.319 29.485 29.762 0.069 0.000 1.385 67 H HN 0.195 nan 8.280 nan 0.000 0.504 68 S N 0.039 115.860 115.700 0.203 0.000 2.368 68 S HA -0.131 4.338 4.470 -0.001 0.000 0.224 68 S C 2.292 176.972 174.600 0.133 0.000 1.029 68 S CA 1.199 59.507 58.200 0.180 0.000 0.988 68 S CB -0.793 62.602 63.200 0.325 0.000 0.838 68 S HN 0.312 nan 8.310 nan 0.000 0.462 69 L N 2.156 123.441 121.223 0.104 0.000 2.017 69 L HA 0.016 4.355 4.340 -0.001 0.000 0.208 69 L C 2.697 179.460 176.870 -0.179 0.000 1.073 69 L CA 2.132 56.724 54.840 -0.413 0.000 0.745 69 L CB -1.433 40.418 42.059 -0.347 0.000 0.894 69 L HN 0.457 nan 8.230 nan 0.000 0.432 70 S N -0.420 115.284 115.700 0.006 0.000 2.368 70 S HA -0.261 4.208 4.470 -0.001 0.000 0.226 70 S C 2.074 176.685 174.600 0.017 0.000 1.044 70 S CA 2.191 60.419 58.200 0.047 0.000 1.062 70 S CB -0.549 62.729 63.200 0.130 0.000 0.931 70 S HN 0.495 nan 8.310 nan 0.000 0.440 71 I N 0.887 121.477 120.570 0.034 0.000 2.226 71 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 71 I C 2.608 178.733 176.117 0.013 0.000 1.100 71 I CA 1.584 62.895 61.300 0.018 0.000 1.374 71 I CB -0.857 37.151 38.000 0.012 0.000 1.057 71 I HN 0.345 nan 8.210 nan 0.000 0.413 72 T N 1.444 115.966 114.554 -0.052 0.000 2.746 72 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 72 T C 1.933 176.674 174.700 0.069 0.000 1.039 72 T CA 1.223 63.280 62.100 -0.072 0.000 1.142 72 T CB -0.348 68.252 68.868 -0.446 0.000 0.866 72 T HN 0.263 nan 8.240 nan 0.000 0.444 73 L N 1.349 122.567 121.223 -0.008 0.000 2.191 73 L HA -0.114 4.225 4.340 -0.001 0.000 0.212 73 L C 2.677 179.525 176.870 -0.037 0.000 1.103 73 L CA 1.228 56.086 54.840 0.030 0.000 0.769 73 L CB -0.612 41.444 42.059 -0.004 0.000 0.908 73 L HN 0.433 nan 8.230 nan 0.000 0.438 74 K N -0.886 119.431 120.400 -0.138 0.000 2.283 74 K HA -0.171 4.148 4.320 -0.001 0.000 0.202 74 K C 1.484 177.886 176.600 -0.329 0.000 1.048 74 K CA 1.277 57.397 56.287 -0.278 0.000 0.948 74 K CB -0.213 32.078 32.500 -0.347 0.000 0.742 74 K HN 0.447 nan 8.250 nan 0.000 0.458 75 H N -0.877 118.235 119.070 0.071 0.000 2.595 75 H HA 0.150 4.705 4.556 -0.001 0.000 0.265 75 H C -0.133 175.095 175.328 -0.166 0.000 0.953 75 H CA 0.247 56.302 56.048 0.012 0.000 1.197 75 H CB 0.306 30.116 29.762 0.081 0.000 1.438 75 H HN 0.140 nan 8.280 nan 0.000 0.531 76 F N 1.738 121.767 119.950 0.132 0.000 2.542 76 F HA 0.092 4.619 4.527 -0.001 0.000 0.323 76 F C 1.088 176.863 175.800 -0.043 0.000 1.411 76 F CA -1.066 56.992 58.000 0.097 0.000 1.124 76 F CB -0.143 38.892 39.000 0.058 0.000 1.331 76 F HN 0.019 nan 8.300 nan 0.000 0.560 77 Y N 0.290 120.517 120.300 -0.122 0.000 2.193 77 Y HA -0.081 4.468 4.550 -0.001 0.000 0.285 77 Y C -1.277 174.527 175.900 -0.160 0.000 1.166 77 Y CA 0.969 58.889 58.100 -0.299 0.000 1.181 77 Y CB -2.190 35.984 38.460 -0.476 0.000 0.976 77 Y HN 0.127 nan 8.280 nan 0.000 0.520 78 P HA -0.120 nan 4.420 nan 0.000 0.220 78 P C 1.116 178.383 177.300 -0.055 0.000 1.148 78 P CA 1.365 64.257 63.100 -0.348 0.000 0.803 78 P CB -0.311 31.099 31.700 -0.485 0.000 0.782 79 F N -0.991 118.856 119.950 -0.171 0.000 2.269 79 F HA -0.089 4.437 4.527 -0.001 0.000 0.301 79 F C 2.121 177.880 175.800 -0.068 0.000 1.082 79 F CA 1.128 58.954 58.000 -0.291 0.000 1.360 79 F CB -0.789 37.739 39.000 -0.787 0.000 1.041 79 F HN -0.176 nan 8.300 nan 0.000 0.512 80 V N -1.019 118.985 119.914 0.150 0.000 3.621 80 V HA 0.420 4.540 4.120 -0.001 0.000 0.285 80 V C 1.099 177.359 176.094 0.277 0.000 1.346 80 V CA 0.405 62.828 62.300 0.205 0.000 1.104 80 V CB -0.689 31.230 31.823 0.160 0.000 0.913 80 V HN 0.145 nan 8.190 nan 0.000 0.432 81 G N 0.181 109.108 108.800 0.210 0.000 2.532 81 G HA2 0.473 4.433 3.960 -0.001 0.000 0.291 81 G HA3 0.473 4.433 3.960 -0.001 0.000 0.291 81 G C -0.761 174.198 174.900 0.099 0.000 1.349 81 G CA -0.664 44.564 45.100 0.213 0.000 1.038 81 G HN 0.393 nan 8.290 nan 0.000 0.518 82 K N -0.863 119.571 120.400 0.057 0.000 2.375 82 K HA 0.382 4.701 4.320 -0.001 0.000 0.249 82 K C -1.294 175.278 176.600 -0.047 0.000 0.942 82 K CA -0.851 55.434 56.287 -0.004 0.000 0.806 82 K CB 2.583 35.073 32.500 -0.017 0.000 1.227 82 K HN 0.275 nan 8.250 nan 0.000 0.430 83 L N 2.824 123.983 121.223 -0.107 0.000 2.410 83 L HA 0.178 4.517 4.340 -0.001 0.000 0.273 83 L C -1.064 175.696 176.870 -0.182 0.000 1.144 83 L CA 0.133 54.877 54.840 -0.160 0.000 0.863 83 L CB 0.793 42.680 42.059 -0.287 0.000 1.140 83 L HN 0.292 nan 8.230 nan 0.000 0.463 84 V N 6.313 126.110 119.914 -0.195 0.000 2.384 84 V HA 0.473 4.592 4.120 -0.001 0.000 0.287 84 V C -0.253 175.556 176.094 -0.474 0.000 1.020 84 V CA -0.674 61.429 62.300 -0.328 0.000 0.850 84 V CB 1.551 33.179 31.823 -0.325 0.000 0.987 84 V HN 0.539 nan 8.190 nan 0.000 0.436 85 V N 5.600 125.216 119.914 -0.498 0.000 2.448 85 V HA 0.500 4.619 4.120 -0.001 0.000 0.295 85 V C -0.886 174.953 176.094 -0.424 0.000 1.025 85 V CA -0.761 61.266 62.300 -0.455 0.000 0.859 85 V CB 1.527 33.046 31.823 -0.505 0.000 0.988 85 V HN 0.733 nan 8.190 nan 0.000 0.431 86 Y N 5.909 126.174 120.300 -0.058 0.000 2.387 86 Y HA 0.427 4.976 4.550 -0.001 0.000 0.330 86 Y C -1.155 174.737 175.900 -0.014 0.000 1.133 86 Y CA -2.271 55.815 58.100 -0.024 0.000 1.152 86 Y CB 1.035 39.479 38.460 -0.027 0.000 1.215 86 Y HN 0.421 nan 8.280 nan 0.000 0.466 87 P HA -0.022 nan 4.420 nan 0.000 0.222 87 P C 0.023 177.366 177.300 0.072 0.000 1.153 87 P CA 0.648 63.807 63.100 0.098 0.000 0.798 87 P CB 0.151 31.901 31.700 0.084 0.000 0.796 88 A N 1.729 124.594 122.820 0.075 0.000 2.454 88 A HA 0.319 4.638 4.320 -0.001 0.000 0.260 88 A C -1.457 176.138 177.584 0.017 0.000 1.106 88 A CA -1.066 50.991 52.037 0.032 0.000 0.780 88 A CB -0.369 18.636 19.000 0.008 0.000 1.044 88 A HN 0.011 nan 8.150 nan 0.000 0.498 89 P HA -0.067 nan 4.420 nan 0.000 0.234 89 P C 1.047 178.331 177.300 -0.027 0.000 1.162 89 P CA 1.332 64.421 63.100 -0.018 0.000 0.759 89 P CB 0.222 31.912 31.700 -0.016 0.000 0.813 90 T N -1.966 112.574 114.554 -0.023 0.000 2.904 90 T HA 0.011 4.360 4.350 -0.001 0.000 0.243 90 T C 0.869 175.546 174.700 -0.038 0.000 1.024 90 T CA 0.309 62.391 62.100 -0.030 0.000 1.158 90 T CB -0.181 68.668 68.868 -0.032 0.000 0.867 90 T HN 0.016 nan 8.240 nan 0.000 0.429 91 K N 2.434 122.799 120.400 -0.058 0.000 2.363 91 K HA 0.143 4.463 4.320 -0.001 0.000 0.289 91 K C -0.611 176.008 176.600 0.032 0.000 1.063 91 K CA -0.076 56.152 56.287 -0.098 0.000 0.967 91 K CB 0.319 32.609 32.500 -0.350 0.000 0.987 91 K HN -0.054 nan 8.250 nan 0.000 0.473 92 K N 4.719 125.147 120.400 0.047 0.000 2.326 92 K HA 0.148 4.467 4.320 -0.001 0.000 0.275 92 K C -2.451 174.274 176.600 0.208 0.000 1.018 92 K CA -1.644 54.675 56.287 0.053 0.000 0.962 92 K CB 0.393 32.987 32.500 0.157 0.000 0.953 92 K HN 0.343 nan 8.250 nan 0.000 0.475 93 P HA -0.008 nan 4.420 nan 0.000 0.267 93 P C -0.941 176.524 177.300 0.274 0.000 1.200 93 P CA 0.014 63.190 63.100 0.127 0.000 0.772 93 P CB 0.538 32.234 31.700 -0.006 0.000 0.855 94 E N 1.282 121.585 120.200 0.171 0.000 2.446 94 E HA 0.573 4.922 4.350 -0.001 0.000 0.276 94 E C -1.148 175.500 176.600 0.080 0.000 0.969 94 E CA -0.962 55.538 56.400 0.167 0.000 0.800 94 E CB 1.178 30.998 29.700 0.200 0.000 1.341 94 E HN 0.153 nan 8.360 nan 0.000 0.460 95 I N 1.153 121.774 120.570 0.085 0.000 2.336 95 I HA 0.300 4.469 4.170 -0.001 0.000 0.292 95 I C -0.756 175.424 176.117 0.105 0.000 0.991 95 I CA -0.768 60.568 61.300 0.060 0.000 1.227 95 I CB 1.122 39.145 38.000 0.038 0.000 1.366 95 I HN 0.495 nan 8.210 nan 0.000 0.466 96 C N 6.015 125.368 119.300 0.089 0.000 2.345 96 C HA 0.404 4.863 4.460 -0.001 0.000 0.323 96 C C -0.354 174.730 174.990 0.157 0.000 1.276 96 C CA -0.773 58.313 59.018 0.113 0.000 1.543 96 C CB 0.729 28.504 27.740 0.058 0.000 2.211 96 C HN 0.613 nan 8.230 nan 0.000 0.493 97 Y N 3.928 124.276 120.300 0.079 0.000 2.341 97 Y HA 0.667 5.217 4.550 -0.001 0.000 0.337 97 Y C -0.173 175.733 175.900 0.010 0.000 1.014 97 Y CA -0.604 57.533 58.100 0.063 0.000 1.111 97 Y CB 1.045 39.580 38.460 0.125 0.000 1.194 97 Y HN 0.629 nan 8.280 nan 0.000 0.462 98 V N 2.534 122.004 119.914 -0.739 0.000 2.680 98 V HA 0.517 4.636 4.120 -0.001 0.000 0.309 98 V C -0.481 175.059 176.094 -0.925 0.000 1.052 98 V CA -1.213 60.699 62.300 -0.646 0.000 0.908 98 V CB 1.709 33.362 31.823 -0.283 0.000 1.001 98 V HN 0.851 nan 8.190 nan 0.000 0.431 99 E N 2.127 121.988 120.200 -0.565 0.000 2.529 99 E HA 0.348 4.698 4.350 -0.001 0.000 0.259 99 E C 1.209 177.684 176.600 -0.209 0.000 0.966 99 E CA 1.373 57.590 56.400 -0.305 0.000 0.937 99 E CB 0.514 30.147 29.700 -0.112 0.000 0.923 99 E HN 1.446 nan 8.360 nan 0.000 0.468 100 G N 3.611 112.346 108.800 -0.109 0.000 2.284 100 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.216 100 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.216 100 G C -0.016 174.871 174.900 -0.022 0.000 1.009 100 G CA -0.225 44.845 45.100 -0.050 0.000 0.625 100 G HN 0.569 nan 8.290 nan 0.000 0.501 101 D N 1.695 122.048 120.400 -0.078 0.000 2.472 101 D HA 0.502 5.141 4.640 -0.001 0.000 0.237 101 D C 0.807 177.205 176.300 0.163 0.000 1.141 101 D CA 1.425 55.444 54.000 0.031 0.000 0.875 101 D CB 1.339 42.149 40.800 0.017 0.000 1.192 101 D HN 0.816 nan 8.370 nan 0.000 0.450 102 S N -0.416 115.365 115.700 0.135 0.000 2.618 102 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 102 S C -0.845 173.831 174.600 0.127 0.000 1.138 102 S CA -0.990 57.290 58.200 0.134 0.000 0.844 102 S CB 1.353 64.610 63.200 0.094 0.000 1.127 102 S HN 0.100 nan 8.310 nan 0.000 0.474 103 V N 1.629 121.618 119.914 0.126 0.000 2.439 103 V HA 0.693 4.813 4.120 -0.001 0.000 0.282 103 V C 0.698 176.818 176.094 0.044 0.000 1.039 103 V CA -0.468 61.898 62.300 0.110 0.000 0.913 103 V CB 1.025 32.954 31.823 0.175 0.000 0.983 103 V HN 1.188 nan 8.190 nan 0.000 0.460 104 A N 5.428 128.250 122.820 0.002 0.000 2.451 104 A HA 0.548 4.868 4.320 -0.001 0.000 0.266 104 A C -0.320 177.217 177.584 -0.078 0.000 1.119 104 A CA -0.077 51.947 52.037 -0.021 0.000 0.786 104 A CB 0.032 19.018 19.000 -0.023 0.000 1.061 104 A HN 0.718 nan 8.150 nan 0.000 0.503 105 V N 3.775 123.648 119.914 -0.069 0.000 2.407 105 V HA 0.474 4.594 4.120 -0.001 0.000 0.291 105 V C 0.407 176.345 176.094 -0.259 0.000 1.018 105 V CA -0.158 62.028 62.300 -0.191 0.000 0.842 105 V CB 1.610 33.334 31.823 -0.165 0.000 0.996 105 V HN 1.024 nan 8.190 nan 0.000 0.426 106 T N 1.935 116.306 114.554 -0.305 0.000 2.795 106 T HA 0.759 5.108 4.350 -0.001 0.000 0.282 106 T C -0.852 173.631 174.700 -0.362 0.000 0.980 106 T CA -0.345 61.634 62.100 -0.202 0.000 1.012 106 T CB 0.781 69.602 68.868 -0.078 0.000 0.936 106 T HN 0.174 nan 8.240 nan 0.000 0.457 107 F N 1.954 121.963 119.950 0.098 0.000 2.458 107 F HA 0.753 5.280 4.527 -0.001 0.000 0.336 107 F C 0.554 176.434 175.800 0.134 0.000 1.114 107 F CA -0.629 57.474 58.000 0.171 0.000 0.987 107 F CB 1.798 40.911 39.000 0.190 0.000 1.130 107 F HN 1.032 nan 8.300 nan 0.000 0.458 108 A N 2.440 125.410 122.820 0.251 0.000 2.530 108 A HA 0.793 5.113 4.320 -0.001 0.000 0.288 108 A C -1.495 176.034 177.584 -0.091 0.000 1.172 108 A CA -0.712 51.361 52.037 0.061 0.000 0.733 108 A CB 2.009 21.003 19.000 -0.010 0.000 1.320 108 A HN 0.707 nan 8.150 nan 0.000 0.419 109 E N -0.573 119.525 120.200 -0.170 0.000 2.272 109 E HA 0.520 4.869 4.350 -0.001 0.000 0.269 109 E C -1.729 174.664 176.600 -0.345 0.000 0.877 109 E CA -0.505 55.712 56.400 -0.305 0.000 0.755 109 E CB 1.994 31.560 29.700 -0.223 0.000 1.192 109 E HN 0.808 nan 8.360 nan 0.000 0.422 110 C N 4.260 123.220 119.300 -0.567 0.000 2.408 110 C HA 0.469 4.928 4.460 -0.001 0.000 0.321 110 C C 0.267 174.989 174.990 -0.446 0.000 1.245 110 C CA -0.499 58.161 59.018 -0.595 0.000 1.523 110 C CB -0.204 26.919 27.740 -1.028 0.000 2.178 110 C HN 0.963 nan 8.230 nan 0.000 0.488 111 N N 3.066 121.630 118.700 -0.227 0.000 2.280 111 N HA 0.216 4.956 4.740 -0.001 0.000 0.192 111 N C -0.180 175.307 175.510 -0.037 0.000 1.109 111 N CA -0.112 52.870 53.050 -0.112 0.000 0.855 111 N CB 0.131 38.566 38.487 -0.086 0.000 0.974 111 N HN 0.612 nan 8.380 nan 0.000 0.482 112 L N 0.801 122.015 121.223 -0.014 0.000 2.461 112 L HA 0.051 4.390 4.340 -0.001 0.000 0.272 112 L C 0.544 177.507 176.870 0.154 0.000 1.197 112 L CA -0.242 54.634 54.840 0.059 0.000 0.836 112 L CB 0.243 42.342 42.059 0.066 0.000 1.105 112 L HN 0.153 nan 8.230 nan 0.000 0.477 113 D N 1.943 122.381 120.400 0.062 0.000 2.434 113 D HA -0.034 4.606 4.640 -0.001 0.000 0.252 113 D C 0.665 176.951 176.300 -0.024 0.000 1.185 113 D CA -0.113 53.906 54.000 0.032 0.000 0.886 113 D CB 1.108 41.899 40.800 -0.016 0.000 1.148 113 D HN 0.366 nan 8.370 nan 0.000 0.483 114 L N 5.323 126.500 121.223 -0.077 0.000 2.083 114 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 114 L C 1.527 178.199 176.870 -0.330 0.000 1.083 114 L CA 1.585 56.190 54.840 -0.392 0.000 0.752 114 L CB -0.615 41.159 42.059 -0.474 0.000 0.899 114 L HN 0.414 nan 8.230 nan 0.000 0.433 115 N N 0.162 118.748 118.700 -0.190 0.000 2.443 115 N HA -0.178 4.561 4.740 -0.001 0.000 0.184 115 N C 1.366 176.787 175.510 -0.148 0.000 1.037 115 N CA 1.102 54.059 53.050 -0.154 0.000 0.896 115 N CB -0.194 38.240 38.487 -0.089 0.000 0.959 115 N HN 0.598 nan 8.380 nan 0.000 0.442 116 E N -0.269 119.840 120.200 -0.151 0.000 2.489 116 E HA 0.135 4.485 4.350 -0.001 0.000 0.193 116 E C 1.193 177.684 176.600 -0.183 0.000 1.057 116 E CA 0.107 56.429 56.400 -0.129 0.000 0.866 116 E CB 0.316 29.958 29.700 -0.096 0.000 0.916 116 E HN 0.332 nan 8.360 nan 0.000 0.500 117 L N -0.852 120.192 121.223 -0.298 0.000 2.766 117 L HA 0.061 4.400 4.340 -0.001 0.000 0.241 117 L C 2.091 178.705 176.870 -0.426 0.000 1.080 117 L CA 0.651 55.250 54.840 -0.401 0.000 0.909 117 L CB 0.423 42.074 42.059 -0.681 0.000 1.277 117 L HN 0.101 nan 8.230 nan 0.000 0.510 118 T N -2.584 111.684 114.554 -0.476 0.000 3.107 118 T HA 0.198 4.547 4.350 -0.001 0.000 0.249 118 T C 1.041 175.605 174.700 -0.227 0.000 1.096 118 T CA 0.248 62.087 62.100 -0.434 0.000 1.012 118 T CB -0.033 68.601 68.868 -0.389 0.000 0.977 118 T HN 0.148 nan 8.240 nan 0.000 0.527 119 G N 1.084 109.773 108.800 -0.185 0.000 2.553 119 G HA2 0.327 4.286 3.960 -0.001 0.000 0.278 119 G HA3 0.327 4.286 3.960 -0.001 0.000 0.278 119 G C 0.436 175.200 174.900 -0.227 0.000 1.349 119 G CA -0.651 44.344 45.100 -0.175 0.000 1.037 119 G HN 0.243 nan 8.290 nan 0.000 0.508 120 N N -1.236 117.234 118.700 -0.384 0.000 2.220 120 N HA 0.090 4.830 4.740 -0.001 0.000 0.195 120 N C 0.244 175.461 175.510 -0.489 0.000 1.123 120 N CA -0.013 52.770 53.050 -0.446 0.000 0.874 120 N CB 0.167 38.368 38.487 -0.476 0.000 0.995 120 N HN 0.463 nan 8.380 nan 0.000 0.498 121 H N 0.846 119.812 119.070 -0.173 0.000 2.546 121 H HA 0.267 4.822 4.556 -0.002 0.000 0.365 121 H C -2.028 173.218 175.328 -0.137 0.000 1.220 121 H CA -1.629 54.321 56.048 -0.163 0.000 1.386 121 H CB -0.337 29.363 29.762 -0.104 0.000 1.510 121 H HN -0.126 nan 8.280 nan 0.000 0.591 122 P HA 0.003 nan 4.420 nan 0.000 0.261 122 P C 0.123 177.436 177.300 0.021 0.000 1.183 122 P CA 0.516 63.616 63.100 -0.001 0.000 0.761 122 P CB 0.361 32.072 31.700 0.018 0.000 0.785 123 R N 1.863 122.382 120.500 0.033 0.000 2.795 123 R HA 0.418 4.757 4.340 -0.001 0.000 0.275 123 R C -0.646 175.713 176.300 0.099 0.000 0.981 123 R CA -0.905 55.237 56.100 0.070 0.000 0.917 123 R CB 1.043 31.405 30.300 0.104 0.000 1.202 123 R HN 0.243 nan 8.270 nan 0.000 0.469 124 N N 0.678 119.416 118.700 0.064 0.000 2.411 124 N HA -0.041 4.699 4.740 -0.001 0.000 0.261 124 N C 0.821 176.387 175.510 0.094 0.000 1.248 124 N CA 0.197 53.270 53.050 0.038 0.000 0.885 124 N CB 0.690 39.168 38.487 -0.014 0.000 1.062 124 N HN 0.542 nan 8.380 nan 0.000 0.471 125 c N 1.296 119.909 118.600 0.020 0.000 2.413 125 c HA -0.174 4.395 4.570 -0.001 0.000 0.277 125 c C 2.144 176.030 174.090 -0.340 0.000 1.265 125 c CA 0.857 57.156 56.329 -0.050 0.000 1.752 125 c CB -0.882 41.599 42.510 -0.049 0.000 1.998 125 c HN 0.798 nan 8.230 nan 0.000 0.489 126 D N 0.913 121.065 120.400 -0.413 0.000 2.310 126 D HA -0.135 4.504 4.640 -0.001 0.000 0.212 126 D C 1.662 177.695 176.300 -0.445 0.000 0.965 126 D CA 0.946 54.523 54.000 -0.704 0.000 0.879 126 D CB -0.694 39.985 40.800 -0.201 0.000 0.921 126 D HN 0.422 nan 8.370 nan 0.000 0.510 127 K N -0.801 119.448 120.400 -0.252 0.000 2.362 127 K HA -0.022 4.297 4.320 -0.001 0.000 0.200 127 K C 1.043 177.434 176.600 -0.348 0.000 1.046 127 K CA 0.704 56.818 56.287 -0.289 0.000 0.952 127 K CB -0.172 32.102 32.500 -0.377 0.000 0.753 127 K HN 0.236 nan 8.250 nan 0.000 0.466 128 F N -1.295 118.542 119.950 -0.189 0.000 2.754 128 F HA 0.031 4.557 4.527 -0.002 0.000 0.297 128 F C 1.394 177.252 175.800 0.096 0.000 1.122 128 F CA 0.006 58.006 58.000 -0.001 0.000 1.400 128 F CB 0.052 39.066 39.000 0.023 0.000 1.117 128 F HN -0.058 nan 8.300 nan 0.000 0.587 129 Y N 0.753 121.156 120.300 0.171 0.000 2.224 129 Y HA -0.195 4.354 4.550 -0.001 0.000 0.289 129 Y C 2.027 177.962 175.900 0.057 0.000 1.146 129 Y CA 0.871 59.024 58.100 0.089 0.000 1.182 129 Y CB -1.319 37.170 38.460 0.048 0.000 0.983 129 Y HN 0.183 nan 8.280 nan 0.000 0.524 130 D N -0.618 119.893 120.400 0.186 0.000 2.336 130 D HA -0.027 4.613 4.640 -0.001 0.000 0.229 130 D C 1.137 177.480 176.300 0.073 0.000 1.061 130 D CA 0.473 54.532 54.000 0.099 0.000 0.875 130 D CB -0.758 40.072 40.800 0.050 0.000 0.904 130 D HN 0.338 nan 8.370 nan 0.000 0.525 131 L N -0.051 121.241 121.223 0.116 0.000 2.590 131 L HA 0.186 4.525 4.340 -0.001 0.000 0.227 131 L C 0.401 177.322 176.870 0.085 0.000 1.099 131 L CA -0.185 54.718 54.840 0.105 0.000 0.872 131 L CB 0.445 42.608 42.059 0.174 0.000 1.088 131 L HN 0.001 nan 8.230 nan 0.000 0.479 132 V N -2.294 117.680 119.914 0.101 0.000 2.459 132 V HA 0.589 4.709 4.120 -0.001 0.000 0.295 132 V C -2.527 173.589 176.094 0.036 0.000 1.029 132 V CA -2.241 60.100 62.300 0.067 0.000 0.874 132 V CB 1.248 33.121 31.823 0.085 0.000 0.985 132 V HN -0.122 nan 8.190 nan 0.000 0.438 133 P HA 0.377 nan 4.420 nan 0.000 0.277 133 P C 0.177 177.472 177.300 -0.008 0.000 1.240 133 P CA -0.416 62.674 63.100 -0.017 0.000 0.798 133 P CB 1.146 32.809 31.700 -0.061 0.000 0.979 134 I N 0.056 120.625 120.570 -0.002 0.000 2.892 134 I HA -0.018 4.151 4.170 -0.001 0.000 0.287 134 I C 1.525 177.648 176.117 0.010 0.000 1.205 134 I CA -0.424 60.881 61.300 0.009 0.000 1.409 134 I CB 0.191 38.199 38.000 0.014 0.000 1.367 134 I HN 0.137 nan 8.210 nan 0.000 0.597 135 L N 4.802 126.046 121.223 0.035 0.000 2.046 135 L HA 0.237 4.576 4.340 -0.001 0.000 0.208 135 L C 0.898 177.802 176.870 0.056 0.000 1.077 135 L CA 2.009 56.882 54.840 0.054 0.000 0.747 135 L CB -0.958 41.166 42.059 0.108 0.000 0.896 135 L HN 1.174 nan 8.230 nan 0.000 0.432 136 G N -0.705 108.135 108.800 0.067 0.000 2.465 136 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.681 136 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.681 136 G C -0.941 174.012 174.900 0.089 0.000 1.340 136 G CA -0.613 44.523 45.100 0.060 0.000 0.884 136 G HN 0.182 nan 8.290 nan 0.000 0.650 137 E N 0.478 120.721 120.200 0.071 0.000 2.392 137 E HA 0.365 4.714 4.350 -0.001 0.000 0.264 137 E C 1.291 177.936 176.600 0.075 0.000 1.024 137 E CA 0.524 56.974 56.400 0.084 0.000 0.903 137 E CB 0.788 30.521 29.700 0.057 0.000 0.963 137 E HN 0.813 nan 8.360 nan 0.000 0.432 138 S N 2.016 117.774 115.700 0.095 0.000 2.593 138 S HA 0.155 4.624 4.470 -0.001 0.000 0.269 138 S C 0.064 174.670 174.600 0.010 0.000 1.334 138 S CA -0.687 57.525 58.200 0.018 0.000 1.015 138 S CB 1.177 64.358 63.200 -0.033 0.000 0.912 138 S HN 0.358 nan 8.310 nan 0.000 0.541 139 T N 2.466 117.009 114.554 -0.018 0.000 2.772 139 T HA 0.418 4.767 4.350 -0.001 0.000 0.288 139 T C -0.323 174.365 174.700 -0.020 0.000 0.994 139 T CA -0.546 61.547 62.100 -0.012 0.000 0.951 139 T CB 0.445 69.303 68.868 -0.017 0.000 0.933 139 T HN 0.567 nan 8.240 nan 0.000 0.447 140 R N 3.240 123.737 120.500 -0.005 0.000 2.229 140 R HA 0.611 4.950 4.340 -0.001 0.000 0.332 140 R C -0.393 175.908 176.300 0.001 0.000 0.989 140 R CA -0.425 55.674 56.100 -0.002 0.000 0.842 140 R CB 0.786 31.092 30.300 0.010 0.000 1.119 140 R HN 0.489 nan 8.270 nan 0.000 0.456 141 L N 0.373 121.595 121.223 -0.001 0.000 2.299 141 L HA 0.362 4.701 4.340 -0.001 0.000 0.268 141 L C 1.628 178.508 176.870 0.017 0.000 1.012 141 L CA -0.561 54.282 54.840 0.006 0.000 0.816 141 L CB 1.671 43.733 42.059 0.004 0.000 1.355 141 L HN 0.660 nan 8.230 nan 0.000 0.457 142 S N -0.761 114.952 115.700 0.022 0.000 2.382 142 S HA -0.162 4.307 4.470 -0.001 0.000 0.228 142 S C 0.942 175.568 174.600 0.042 0.000 1.027 142 S CA 1.362 59.579 58.200 0.027 0.000 0.991 142 S CB -0.326 62.888 63.200 0.023 0.000 0.823 142 S HN 0.848 nan 8.310 nan 0.000 0.469 143 D N 0.432 120.866 120.400 0.058 0.000 2.398 143 D HA 0.187 4.827 4.640 -0.001 0.000 0.210 143 D C 0.803 177.184 176.300 0.136 0.000 1.094 143 D CA 0.211 54.271 54.000 0.100 0.000 0.839 143 D CB -0.333 40.537 40.800 0.116 0.000 0.963 143 D HN 0.673 nan 8.370 nan 0.000 0.506 144 C N -1.414 117.915 119.300 0.050 0.000 3.259 144 C HA 0.722 5.181 4.460 -0.001 0.000 0.344 144 C C -1.165 173.791 174.990 -0.057 0.000 1.401 144 C CA -1.419 57.569 59.018 -0.050 0.000 1.219 144 C CB 0.559 28.162 27.740 -0.229 0.000 1.521 144 C HN 0.219 nan 8.230 nan 0.000 0.455 145 I N 1.302 121.819 120.570 -0.088 0.000 2.474 145 I HA 0.625 4.794 4.170 -0.001 0.000 0.294 145 I C -0.777 175.266 176.117 -0.124 0.000 1.005 145 I CA -0.488 60.775 61.300 -0.063 0.000 1.113 145 I CB 1.534 39.537 38.000 0.005 0.000 1.289 145 I HN 0.833 nan 8.210 nan 0.000 0.436 146 K N 7.889 128.222 120.400 -0.111 0.000 2.292 146 K HA 0.617 4.936 4.320 -0.001 0.000 0.257 146 K C -1.381 175.147 176.600 -0.120 0.000 0.940 146 K CA -0.551 55.664 56.287 -0.120 0.000 0.811 146 K CB 2.490 34.938 32.500 -0.087 0.000 1.120 146 K HN 0.475 nan 8.250 nan 0.000 0.428 147 I N 3.900 124.388 120.570 -0.137 0.000 2.436 147 I HA 0.298 4.468 4.170 -0.001 0.000 0.289 147 I C -2.387 173.701 176.117 -0.047 0.000 1.010 147 I CA -2.714 58.510 61.300 -0.128 0.000 1.098 147 I CB 1.977 39.843 38.000 -0.222 0.000 1.266 147 I HN 0.282 nan 8.210 nan 0.000 0.434 148 P HA 0.105 nan 4.420 nan 0.000 0.267 148 P C 0.251 177.593 177.300 0.071 0.000 1.200 148 P CA 0.099 63.227 63.100 0.047 0.000 0.772 148 P CB 0.694 32.431 31.700 0.062 0.000 0.855 149 L N 1.103 122.367 121.223 0.068 0.000 2.609 149 L HA 0.351 4.691 4.340 -0.001 0.000 0.230 149 L C 0.314 177.253 176.870 0.114 0.000 1.087 149 L CA 0.309 55.186 54.840 0.062 0.000 0.874 149 L CB 0.117 42.150 42.059 -0.043 0.000 1.114 149 L HN 0.327 nan 8.230 nan 0.000 0.488 150 F N 0.479 120.388 119.950 -0.068 0.000 2.639 150 F HA 0.487 5.013 4.527 -0.001 0.000 0.320 150 F C -0.800 175.001 175.800 0.002 0.000 1.128 150 F CA -0.856 57.101 58.000 -0.073 0.000 1.037 150 F CB 1.454 40.353 39.000 -0.168 0.000 1.288 150 F HN -0.125 nan 8.300 nan 0.000 0.463 151 S N 4.055 119.388 115.700 -0.611 0.000 2.579 151 S HA 0.954 5.423 4.470 -0.001 0.000 0.272 151 S C -2.033 172.217 174.600 -0.583 0.000 1.141 151 S CA -0.775 57.115 58.200 -0.517 0.000 0.843 151 S CB 1.953 65.035 63.200 -0.198 0.000 1.122 151 S HN 0.685 nan 8.310 nan 0.000 0.468 152 V N 1.328 121.015 119.914 -0.378 0.000 2.789 152 V HA 0.645 4.764 4.120 -0.001 0.000 0.311 152 V C -0.838 175.156 176.094 -0.166 0.000 1.073 152 V CA -0.552 61.613 62.300 -0.225 0.000 0.921 152 V CB 1.777 33.530 31.823 -0.117 0.000 1.009 152 V HN 1.005 nan 8.190 nan 0.000 0.426 153 Q N 2.302 122.042 119.800 -0.100 0.000 2.337 153 Q HA 0.733 5.073 4.340 -0.001 0.000 0.270 153 Q C -1.984 173.979 176.000 -0.061 0.000 1.043 153 Q CA -0.484 55.253 55.803 -0.110 0.000 0.794 153 Q CB 2.344 31.053 28.738 -0.048 0.000 1.281 153 Q HN 0.599 nan 8.270 nan 0.000 0.446 154 V N 3.504 123.358 119.914 -0.099 0.000 2.357 154 V HA 0.461 4.580 4.120 -0.001 0.000 0.284 154 V C -0.551 175.684 176.094 0.236 0.000 1.018 154 V CA -0.465 61.899 62.300 0.106 0.000 0.841 154 V CB 1.675 33.608 31.823 0.182 0.000 0.991 154 V HN 0.840 nan 8.190 nan 0.000 0.437 155 T N 6.138 120.789 114.554 0.163 0.000 2.786 155 T HA 0.501 4.850 4.350 -0.001 0.000 0.283 155 T C -0.492 174.121 174.700 -0.145 0.000 0.992 155 T CA -0.338 61.758 62.100 -0.008 0.000 0.954 155 T CB 1.426 70.264 68.868 -0.051 0.000 0.934 155 T HN 0.444 nan 8.240 nan 0.000 0.440 156 L N 4.018 124.893 121.223 -0.580 0.000 2.331 156 L HA 0.529 4.868 4.340 -0.001 0.000 0.278 156 L C -1.218 175.367 176.870 -0.476 0.000 1.106 156 L CA -0.107 54.294 54.840 -0.732 0.000 0.824 156 L CB -0.195 41.032 42.059 -1.386 0.000 1.142 156 L HN 0.567 nan 8.230 nan 0.000 0.443 157 F N 6.591 126.406 119.950 -0.227 0.000 2.293 157 F HA 0.421 4.948 4.527 -0.000 0.000 0.370 157 F C -1.862 173.856 175.800 -0.137 0.000 1.090 157 F CA -2.066 55.854 58.000 -0.134 0.000 1.133 157 F CB 0.613 39.578 39.000 -0.059 0.000 1.360 157 F HN 0.454 nan 8.300 nan 0.000 0.489 158 P HA -0.039 nan 4.420 nan 0.000 0.260 158 P C -0.240 177.059 177.300 -0.001 0.000 1.172 158 P CA 0.825 63.894 63.100 -0.052 0.000 0.760 158 P CB 0.184 31.843 31.700 -0.067 0.000 0.773 159 N N 0.762 119.459 118.700 -0.005 0.000 2.828 159 N HA -0.246 4.493 4.740 -0.001 0.000 0.248 159 N C 0.590 176.110 175.510 0.016 0.000 1.044 159 N CA 0.920 53.973 53.050 0.005 0.000 0.851 159 N CB -1.173 37.316 38.487 0.004 0.000 1.136 159 N HN 0.608 nan 8.380 nan 0.000 0.572 160 Q N -1.697 118.123 119.800 0.032 0.000 2.577 160 Q HA 0.392 4.731 4.340 -0.001 0.000 0.242 160 Q C 0.999 177.015 176.000 0.027 0.000 0.818 160 Q CA 0.684 56.505 55.803 0.031 0.000 0.962 160 Q CB 1.606 30.371 28.738 0.045 0.000 1.272 160 Q HN 0.340 nan 8.270 nan 0.000 0.593 161 G N 0.464 109.299 108.800 0.057 0.000 2.336 161 G HA2 0.394 4.353 3.960 -0.001 0.000 0.286 161 G HA3 0.394 4.353 3.960 -0.001 0.000 0.286 161 G C -1.944 173.022 174.900 0.110 0.000 1.269 161 G CA -0.871 44.260 45.100 0.052 0.000 0.873 161 G HN 0.032 nan 8.290 nan 0.000 0.494 162 I N 0.500 121.156 120.570 0.142 0.000 2.656 162 I HA 0.642 4.812 4.170 -0.001 0.000 0.292 162 I C 0.056 176.380 176.117 0.344 0.000 1.144 162 I CA -0.974 60.429 61.300 0.172 0.000 1.038 162 I CB 2.331 40.220 38.000 -0.186 0.000 1.244 162 I HN 0.865 nan 8.210 nan 0.000 0.420 163 A N 7.108 130.140 122.820 0.353 0.000 2.318 163 A HA 0.836 5.156 4.320 -0.001 0.000 0.324 163 A C -0.716 176.959 177.584 0.152 0.000 1.170 163 A CA -0.454 51.678 52.037 0.158 0.000 0.810 163 A CB 0.705 19.725 19.000 0.032 0.000 1.198 163 A HN 0.653 nan 8.150 nan 0.000 0.484 164 I N 2.641 123.312 120.570 0.168 0.000 2.330 164 I HA 0.423 4.592 4.170 -0.001 0.000 0.289 164 I C 0.753 176.967 176.117 0.161 0.000 1.001 164 I CA -0.330 61.057 61.300 0.144 0.000 1.193 164 I CB 1.822 39.856 38.000 0.058 0.000 1.345 164 I HN 0.721 nan 8.210 nan 0.000 0.461 165 G N 7.414 116.272 108.800 0.097 0.000 2.335 165 G HA2 0.722 4.682 3.960 -0.001 0.000 0.316 165 G HA3 0.722 4.682 3.960 -0.001 0.000 0.316 165 G C -0.723 174.245 174.900 0.114 0.000 1.129 165 G CA -0.370 44.785 45.100 0.091 0.000 0.899 165 G HN 0.512 nan 8.290 nan 0.000 0.448 166 I N 1.784 122.456 120.570 0.170 0.000 2.418 166 I HA 0.308 4.477 4.170 -0.001 0.000 0.287 166 I C -0.194 175.981 176.117 0.098 0.000 1.008 166 I CA -0.440 60.962 61.300 0.170 0.000 1.104 166 I CB 2.481 40.733 38.000 0.419 0.000 1.264 166 I HN 0.277 nan 8.210 nan 0.000 0.438 167 T N 6.104 120.658 114.554 0.001 0.000 2.823 167 T HA 0.487 4.837 4.350 -0.001 0.000 0.279 167 T C -0.622 174.100 174.700 0.038 0.000 0.998 167 T CA -0.796 61.311 62.100 0.012 0.000 0.994 167 T CB 1.100 69.962 68.868 -0.011 0.000 0.960 167 T HN 0.738 nan 8.240 nan 0.000 0.448 168 N N 1.068 119.802 118.700 0.058 0.000 2.494 168 N HA 0.169 4.908 4.740 -0.001 0.000 0.270 168 N C -1.581 173.958 175.510 0.047 0.000 1.285 168 N CA -0.706 52.389 53.050 0.076 0.000 0.812 168 N CB 1.413 39.945 38.487 0.075 0.000 1.557 168 N HN 0.482 nan 8.380 nan 0.000 0.487 169 H N 0.650 119.720 119.070 0.002 0.000 2.580 169 H HA 0.086 4.641 4.556 -0.001 0.000 0.322 169 H C 0.718 176.049 175.328 0.005 0.000 1.082 169 H CA 0.313 56.387 56.048 0.043 0.000 1.383 169 H CB 0.739 30.545 29.762 0.073 0.000 1.450 169 H HN 0.662 nan 8.280 nan 0.000 0.505 170 H N 3.895 122.955 119.070 -0.018 0.000 2.456 170 H HA -0.112 4.444 4.556 -0.001 0.000 0.296 170 H C 1.741 177.090 175.328 0.035 0.000 1.079 170 H CA 1.208 57.167 56.048 -0.148 0.000 1.322 170 H CB -0.126 29.366 29.762 -0.449 0.000 1.388 170 H HN 0.542 nan 8.280 nan 0.000 0.538 171 C N 0.206 119.847 119.300 0.567 0.000 2.419 171 C HA -0.106 4.353 4.460 -0.001 0.000 0.283 171 C C 2.890 177.963 174.990 0.139 0.000 1.373 171 C CA 0.508 59.727 59.018 0.336 0.000 1.781 171 C CB -1.236 26.613 27.740 0.182 0.000 1.886 171 C HN 0.472 nan 8.230 nan 0.000 0.520 172 L N 0.929 122.186 121.223 0.056 0.000 2.079 172 L HA 0.201 4.540 4.340 -0.001 0.000 0.210 172 L C 1.044 177.822 176.870 -0.153 0.000 1.081 172 L CA 2.392 57.178 54.840 -0.089 0.000 0.752 172 L CB -0.759 41.121 42.059 -0.299 0.000 0.896 172 L HN 0.458 nan 8.230 nan 0.000 0.433 173 G N -1.941 106.764 108.800 -0.158 0.000 2.337 173 G HA2 0.293 4.252 3.960 -0.001 0.000 0.298 173 G HA3 0.293 4.252 3.960 -0.001 0.000 0.298 173 G C -1.823 172.962 174.900 -0.192 0.000 1.335 173 G CA -0.200 44.762 45.100 -0.230 0.000 0.875 173 G HN 0.348 nan 8.290 nan 0.000 0.579 174 D N -0.560 119.750 120.400 -0.149 0.000 2.539 174 D HA 0.654 5.293 4.640 -0.001 0.000 0.276 174 D C 1.778 178.027 176.300 -0.084 0.000 1.206 174 D CA 0.321 54.245 54.000 -0.127 0.000 1.081 174 D CB 0.489 41.283 40.800 -0.010 0.000 1.142 174 D HN 0.952 nan 8.370 nan 0.000 0.595 175 A N -0.168 122.637 122.820 -0.025 0.000 1.940 175 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 175 A C 2.163 179.894 177.584 0.246 0.000 1.176 175 A CA 2.162 54.284 52.037 0.142 0.000 0.631 175 A CB -1.160 17.934 19.000 0.158 0.000 0.814 175 A HN 0.465 nan 8.150 nan 0.000 0.446 176 S N -0.605 115.163 115.700 0.113 0.000 2.368 176 S HA -0.137 4.332 4.470 -0.001 0.000 0.225 176 S C 2.058 176.742 174.600 0.140 0.000 1.030 176 S CA 1.809 60.077 58.200 0.113 0.000 0.999 176 S CB -0.554 62.673 63.200 0.045 0.000 0.844 176 S HN 0.716 nan 8.310 nan 0.000 0.459 177 T N 2.104 116.674 114.554 0.028 0.000 2.746 177 T HA -0.057 4.293 4.350 -0.001 0.000 0.267 177 T C 1.912 176.700 174.700 0.147 0.000 1.039 177 T CA 1.045 63.105 62.100 -0.067 0.000 1.142 177 T CB -0.170 68.444 68.868 -0.424 0.000 0.866 177 T HN 0.349 nan 8.240 nan 0.000 0.444 178 R N -0.215 120.428 120.500 0.238 0.000 2.096 178 R HA -0.022 4.318 4.340 -0.001 0.000 0.235 178 R C 2.201 178.787 176.300 0.476 0.000 1.127 178 R CA 1.199 57.556 56.100 0.428 0.000 0.968 178 R CB -0.486 30.064 30.300 0.416 0.000 0.861 178 R HN 0.337 nan 8.270 nan 0.000 0.440 179 F N 0.926 121.023 119.950 0.246 0.000 2.102 179 F HA -0.261 4.265 4.527 -0.001 0.000 0.298 179 F C 2.503 178.269 175.800 -0.057 0.000 1.105 179 F CA 1.192 59.160 58.000 -0.054 0.000 1.239 179 F CB -0.701 38.109 39.000 -0.316 0.000 0.991 179 F HN 0.039 nan 8.300 nan 0.000 0.474 180 C N 0.256 119.594 119.300 0.062 0.000 2.413 180 C HA -0.252 4.208 4.460 -0.001 0.000 0.276 180 C C 2.768 177.656 174.990 -0.170 0.000 1.236 180 C CA 1.477 60.506 59.018 0.020 0.000 1.735 180 C CB -1.830 26.047 27.740 0.229 0.000 2.031 180 C HN 0.611 nan 8.230 nan 0.000 0.474 181 F N 1.121 120.778 119.950 -0.488 0.000 2.102 181 F HA -0.044 4.483 4.527 -0.001 0.000 0.298 181 F C 1.992 177.322 175.800 -0.782 0.000 1.105 181 F CA 1.901 59.157 58.000 -1.240 0.000 1.239 181 F CB -0.545 37.566 39.000 -1.483 0.000 0.991 181 F HN 0.173 nan 8.300 nan 0.000 0.474 182 L N 0.182 121.134 121.223 -0.452 0.000 2.141 182 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 182 L C 2.466 178.952 176.870 -0.640 0.000 1.094 182 L CA 1.283 55.853 54.840 -0.449 0.000 0.763 182 L CB -0.650 41.361 42.059 -0.079 0.000 0.908 182 L HN 0.107 nan 8.230 nan 0.000 0.437 183 K N 0.035 120.034 120.400 -0.670 0.000 2.057 183 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 183 K C 2.241 178.541 176.600 -0.501 0.000 1.049 183 K CA 1.439 57.359 56.287 -0.611 0.000 0.931 183 K CB -0.225 31.915 32.500 -0.600 0.000 0.714 183 K HN 0.294 nan 8.250 nan 0.000 0.440 184 A N 1.052 123.531 122.820 -0.569 0.000 1.855 184 A HA -0.194 4.125 4.320 -0.001 0.000 0.215 184 A C 1.907 179.105 177.584 -0.644 0.000 1.191 184 A CA 1.282 52.882 52.037 -0.728 0.000 0.613 184 A CB -0.934 17.453 19.000 -1.021 0.000 0.829 184 A HN 0.553 nan 8.150 nan 0.000 0.442 185 W N 2.067 122.769 121.300 -0.997 0.000 2.335 185 W HA -0.225 4.435 4.660 -0.000 0.000 0.311 185 W C 2.565 178.697 176.519 -0.644 0.000 1.213 185 W CA 3.004 59.861 57.345 -0.814 0.000 1.274 185 W CB -1.134 27.747 29.460 -0.964 0.000 1.148 185 W HN 0.478 nan 8.180 nan 0.000 0.498 186 T N -2.300 111.784 114.554 -0.783 0.000 2.788 186 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 186 T C 2.162 176.522 174.700 -0.567 0.000 1.044 186 T CA 1.982 63.474 62.100 -1.012 0.000 1.139 186 T CB -1.090 67.089 68.868 -1.149 0.000 0.867 186 T HN 0.148 nan 8.240 nan 0.000 0.454 187 S N 1.238 116.689 115.700 -0.415 0.000 2.359 187 S HA -0.068 4.402 4.470 -0.001 0.000 0.224 187 S C 2.041 176.529 174.600 -0.188 0.000 1.035 187 S CA 1.290 59.341 58.200 -0.249 0.000 1.018 187 S CB -0.696 62.412 63.200 -0.154 0.000 0.876 187 S HN 0.589 nan 8.310 nan 0.000 0.448 188 I N 1.513 121.974 120.570 -0.182 0.000 2.226 188 I HA -0.142 4.028 4.170 -0.001 0.000 0.245 188 I C 2.799 178.857 176.117 -0.098 0.000 1.100 188 I CA 1.083 62.320 61.300 -0.105 0.000 1.374 188 I CB -0.517 37.434 38.000 -0.082 0.000 1.057 188 I HN 0.403 nan 8.210 nan 0.000 0.413 189 A N 0.727 123.474 122.820 -0.123 0.000 1.858 189 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 189 A C 2.419 179.901 177.584 -0.169 0.000 1.190 189 A CA 1.447 53.408 52.037 -0.127 0.000 0.617 189 A CB -0.598 18.289 19.000 -0.188 0.000 0.827 189 A HN 0.267 nan 8.150 nan 0.000 0.443 190 R N 0.229 120.589 120.500 -0.234 0.000 2.105 190 R HA -0.107 4.232 4.340 -0.001 0.000 0.239 190 R C 1.876 178.103 176.300 -0.122 0.000 1.135 190 R CA 1.601 57.582 56.100 -0.198 0.000 0.967 190 R CB -0.314 29.854 30.300 -0.219 0.000 0.861 190 R HN 0.673 nan 8.270 nan 0.000 0.442 191 S N -0.852 114.785 115.700 -0.106 0.000 2.679 191 S HA 0.186 4.655 4.470 -0.001 0.000 0.233 191 S C 0.803 175.370 174.600 -0.056 0.000 0.951 191 S CA 0.154 58.312 58.200 -0.070 0.000 0.973 191 S CB 0.761 63.926 63.200 -0.058 0.000 0.778 191 S HN 0.469 nan 8.310 nan 0.000 0.477 192 G N 2.260 111.024 108.800 -0.060 0.000 2.291 192 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.271 192 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.271 192 G C -0.067 174.790 174.900 -0.073 0.000 1.099 192 G CA -0.413 44.661 45.100 -0.042 0.000 0.919 192 G HN 0.649 nan 8.290 nan 0.000 0.496 193 N N -0.638 117.994 118.700 -0.114 0.000 2.681 193 N HA -0.184 4.555 4.740 -0.001 0.000 0.259 193 N C -0.342 175.033 175.510 -0.226 0.000 1.066 193 N CA 1.710 54.611 53.050 -0.248 0.000 0.717 193 N CB -1.347 36.841 38.487 -0.498 0.000 0.885 193 N HN 1.058 nan 8.380 nan 0.000 0.547 194 N N 0.677 119.311 118.700 -0.110 0.000 2.425 194 N HA 0.103 4.842 4.740 -0.001 0.000 0.289 194 N C -0.617 174.892 175.510 -0.001 0.000 1.074 194 N CA -0.391 52.631 53.050 -0.047 0.000 0.905 194 N CB 1.150 39.619 38.487 -0.030 0.000 1.586 194 N HN 0.056 nan 8.380 nan 0.000 0.490 195 D N 2.363 122.796 120.400 0.054 0.000 2.340 195 D HA -0.051 4.589 4.640 -0.001 0.000 0.217 195 D C 1.098 177.457 176.300 0.098 0.000 1.081 195 D CA 0.034 54.107 54.000 0.123 0.000 0.842 195 D CB 0.187 41.138 40.800 0.251 0.000 0.934 195 D HN 0.770 nan 8.370 nan 0.000 0.511 196 E N 0.779 121.007 120.200 0.047 0.000 2.058 196 E HA -0.263 4.086 4.350 -0.001 0.000 0.194 196 E C 1.580 178.175 176.600 -0.008 0.000 0.997 196 E CA 1.416 57.825 56.400 0.014 0.000 0.801 196 E CB -0.053 29.651 29.700 0.006 0.000 0.746 196 E HN 0.163 nan 8.360 nan 0.000 0.450 197 S N -0.742 114.959 115.700 0.002 0.000 2.368 197 S HA -0.142 4.328 4.470 -0.001 0.000 0.224 197 S C 1.652 176.246 174.600 -0.009 0.000 1.029 197 S CA 1.007 59.199 58.200 -0.014 0.000 0.988 197 S CB -0.550 62.641 63.200 -0.015 0.000 0.838 197 S HN 0.486 nan 8.310 nan 0.000 0.462 198 F N 2.214 122.095 119.950 -0.114 0.000 2.102 198 F HA -0.010 4.516 4.527 -0.001 0.000 0.298 198 F C 1.737 177.446 175.800 -0.153 0.000 1.105 198 F CA 1.527 59.442 58.000 -0.142 0.000 1.239 198 F CB -0.569 38.330 39.000 -0.169 0.000 0.991 198 F HN 0.187 nan 8.300 nan 0.000 0.474 199 L N -0.179 120.818 121.223 -0.377 0.000 2.141 199 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 199 L C 2.694 179.369 176.870 -0.324 0.000 1.094 199 L CA 1.105 55.674 54.840 -0.451 0.000 0.763 199 L CB -1.001 40.939 42.059 -0.198 0.000 0.908 199 L HN 0.296 nan 8.230 nan 0.000 0.437 200 A N -0.269 122.424 122.820 -0.211 0.000 1.903 200 A HA -0.058 4.262 4.320 -0.001 0.000 0.213 200 A C 1.848 179.336 177.584 -0.159 0.000 1.185 200 A CA 1.238 53.184 52.037 -0.150 0.000 0.628 200 A CB -0.089 18.855 19.000 -0.093 0.000 0.830 200 A HN 0.432 nan 8.150 nan 0.000 0.446 201 N N -0.958 117.640 118.700 -0.171 0.000 2.239 201 N HA 0.120 4.859 4.740 -0.001 0.000 0.208 201 N C 0.881 176.302 175.510 -0.149 0.000 1.200 201 N CA 0.708 53.680 53.050 -0.131 0.000 0.895 201 N CB 0.222 38.660 38.487 -0.082 0.000 1.085 201 N HN 0.343 nan 8.380 nan 0.000 0.500 202 G N 0.356 109.014 108.800 -0.237 0.000 2.562 202 G HA2 0.353 4.312 3.960 -0.001 0.000 0.275 202 G HA3 0.353 4.312 3.960 -0.001 0.000 0.275 202 G C -0.461 174.296 174.900 -0.238 0.000 1.196 202 G CA -0.036 44.961 45.100 -0.172 0.000 0.908 202 G HN -0.078 nan 8.290 nan 0.000 0.524 203 T N 1.584 116.121 114.554 -0.028 0.000 2.727 203 T HA 0.326 4.675 4.350 -0.001 0.000 0.298 203 T C 0.517 175.261 174.700 0.073 0.000 0.942 203 T CA -0.163 61.933 62.100 -0.007 0.000 0.997 203 T CB 0.441 69.339 68.868 0.049 0.000 0.917 203 T HN 0.354 nan 8.240 nan 0.000 0.487 204 R N 3.939 124.385 120.500 -0.090 0.000 2.441 204 R HA 0.326 4.665 4.340 -0.001 0.000 0.284 204 R C -2.247 174.001 176.300 -0.086 0.000 1.070 204 R CA -1.821 54.235 56.100 -0.073 0.000 1.047 204 R CB 0.329 30.511 30.300 -0.198 0.000 1.016 204 R HN 0.415 nan 8.270 nan 0.000 0.477 205 P HA -0.001 nan 4.420 nan 0.000 0.271 205 P C -0.767 176.233 177.300 -0.500 0.000 1.216 205 P CA -0.049 62.839 63.100 -0.353 0.000 0.776 205 P CB 0.707 32.014 31.700 -0.655 0.000 0.881 206 L N 4.156 125.172 121.223 -0.344 0.000 2.264 206 L HA 0.257 4.597 4.340 -0.001 0.000 0.287 206 L C 0.055 176.766 176.870 -0.265 0.000 1.039 206 L CA -0.653 54.057 54.840 -0.217 0.000 0.829 206 L CB 0.273 42.325 42.059 -0.012 0.000 1.211 206 L HN 0.243 nan 8.230 nan 0.000 0.427 207 Y N 0.839 121.139 120.300 -0.000 0.000 2.511 207 Y HA 0.124 4.673 4.550 -0.001 0.000 0.279 207 Y C 0.641 176.566 175.900 0.041 0.000 1.157 207 Y CA -0.611 57.475 58.100 -0.023 0.000 1.300 207 Y CB -0.198 38.253 38.460 -0.015 0.000 1.052 207 Y HN 0.548 nan 8.280 nan 0.000 0.529 208 D N 1.576 122.089 120.400 0.188 0.000 2.533 208 D HA -0.039 4.600 4.640 -0.001 0.000 0.236 208 D C 0.350 176.791 176.300 0.234 0.000 1.137 208 D CA 0.348 54.455 54.000 0.177 0.000 0.867 208 D CB 0.583 41.468 40.800 0.141 0.000 1.170 208 D HN 0.017 nan 8.370 nan 0.000 0.474 209 R N 3.405 124.025 120.500 0.200 0.000 3.266 209 R HA 0.120 4.460 4.340 -0.001 0.000 0.224 209 R C 1.032 177.443 176.300 0.184 0.000 1.525 209 R CA -0.116 56.121 56.100 0.230 0.000 1.364 209 R CB -0.772 29.629 30.300 0.167 0.000 1.276 209 R HN 0.567 nan 8.270 nan 0.000 0.660 210 I N -2.098 118.602 120.570 0.216 0.000 3.578 210 I HA 0.198 4.367 4.170 -0.001 0.000 0.295 210 I C 0.369 176.500 176.117 0.024 0.000 1.280 210 I CA 0.379 61.733 61.300 0.089 0.000 1.347 210 I CB 0.251 38.294 38.000 0.071 0.000 1.051 210 I HN 0.076 nan 8.210 nan 0.000 0.460 211 I N 3.341 123.950 120.570 0.065 0.000 2.307 211 I HA 0.284 4.454 4.170 -0.001 0.000 0.287 211 I C -0.409 175.780 176.117 0.120 0.000 1.054 211 I CA -0.138 61.237 61.300 0.125 0.000 1.218 211 I CB 0.659 38.767 38.000 0.179 0.000 1.398 211 I HN 0.108 nan 8.210 nan 0.000 0.475 212 K N 7.158 127.490 120.400 -0.113 0.000 2.530 212 K HA 0.401 4.721 4.320 -0.001 0.000 0.230 212 K C -1.466 174.907 176.600 -0.379 0.000 1.002 212 K CA -0.510 55.693 56.287 -0.141 0.000 1.014 212 K CB 0.957 33.376 32.500 -0.135 0.000 1.286 212 K HN 0.423 nan 8.250 nan 0.000 0.480 213 Y N 2.278 122.639 120.300 0.101 0.000 2.662 213 Y HA 0.191 4.741 4.550 -0.001 0.000 0.358 213 Y C -2.222 173.699 175.900 0.035 0.000 1.041 213 Y CA -2.274 55.841 58.100 0.025 0.000 1.184 213 Y CB 0.571 38.981 38.460 -0.085 0.000 1.114 213 Y HN 0.421 nan 8.280 nan 0.000 0.650 217 D N 1.980 122.530 120.400 0.249 0.000 2.126 217 D HA -0.218 4.422 4.640 -0.001 0.000 0.190 217 D C 1.784 178.321 176.300 0.395 0.000 1.001 217 D CA 2.180 56.481 54.000 0.501 0.000 0.841 217 D CB -0.045 41.055 40.800 0.500 0.000 0.949 217 D HN 0.616 nan 8.370 nan 0.000 0.446 218 E N 0.720 121.046 120.200 0.210 0.000 2.208 218 E HA -0.007 4.342 4.350 -0.001 0.000 0.193 218 E C 2.053 178.702 176.600 0.082 0.000 0.988 218 E CA 0.933 57.390 56.400 0.094 0.000 0.828 218 E CB -0.170 29.563 29.700 0.054 0.000 0.763 218 E HN 0.208 nan 8.360 nan 0.000 0.478 219 A N 1.042 123.935 122.820 0.122 0.000 1.898 219 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 219 A C 1.817 179.432 177.584 0.051 0.000 1.181 219 A CA 0.986 53.060 52.037 0.063 0.000 0.620 219 A CB -0.765 18.262 19.000 0.045 0.000 0.819 219 A HN 0.246 nan 8.150 nan 0.000 0.442 220 Y N -0.206 120.139 120.300 0.075 0.000 2.314 220 Y HA -0.009 4.540 4.550 -0.001 0.000 0.293 220 Y C 2.158 178.089 175.900 0.052 0.000 1.129 220 Y CA 1.007 59.178 58.100 0.119 0.000 1.201 220 Y CB -0.214 38.423 38.460 0.296 0.000 0.999 220 Y HN 0.175 nan 8.280 nan 0.000 0.541 221 L N -0.314 120.980 121.223 0.118 0.000 2.093 221 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 221 L C 2.243 179.074 176.870 -0.066 0.000 1.085 221 L CA 1.478 56.267 54.840 -0.086 0.000 0.755 221 L CB -0.373 41.518 42.059 -0.279 0.000 0.904 221 L HN 0.199 nan 8.230 nan 0.000 0.435 222 K N -0.397 119.974 120.400 -0.049 0.000 2.026 222 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 222 K C 2.212 178.769 176.600 -0.072 0.000 1.048 222 K CA 1.193 57.447 56.287 -0.055 0.000 0.929 222 K CB -0.177 32.293 32.500 -0.050 0.000 0.713 222 K HN 0.177 nan 8.250 nan 0.000 0.439 223 R N 0.576 121.013 120.500 -0.105 0.000 2.120 223 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 223 R C 1.519 177.740 176.300 -0.132 0.000 1.123 223 R CA 1.351 57.362 56.100 -0.148 0.000 0.975 223 R CB -0.044 30.109 30.300 -0.245 0.000 0.866 223 R HN 0.139 nan 8.270 nan 0.000 0.446 224 A N 1.520 124.282 122.820 -0.097 0.000 2.337 224 A HA 0.065 4.385 4.320 -0.001 0.000 0.227 224 A C -0.453 177.132 177.584 0.002 0.000 1.259 224 A CA -0.064 51.936 52.037 -0.061 0.000 0.870 224 A CB -0.269 18.709 19.000 -0.037 0.000 0.927 224 A HN 0.418 nan 8.150 nan 0.000 0.497 225 K N -1.216 119.175 120.400 -0.016 0.000 5.163 225 K HA -0.149 4.170 4.320 -0.001 0.000 0.320 225 K C 0.175 176.811 176.600 0.061 0.000 0.822 225 K CA 0.511 56.804 56.287 0.011 0.000 0.981 225 K CB -2.002 30.504 32.500 0.010 0.000 1.877 225 K HN 0.141 nan 8.250 nan 0.000 0.400 226 V N 1.744 121.671 119.914 0.021 0.000 2.591 226 V HA -0.190 3.929 4.120 -0.001 0.000 0.249 226 V C 2.606 178.748 176.094 0.080 0.000 1.053 226 V CA 1.975 64.292 62.300 0.027 0.000 1.068 226 V CB -0.141 31.633 31.823 -0.083 0.000 0.689 226 V HN 0.832 nan 8.190 nan 0.000 0.462 227 E N 0.505 120.736 120.200 0.052 0.000 2.347 227 E HA -0.117 4.232 4.350 -0.001 0.000 0.196 227 E C 1.779 178.423 176.600 0.074 0.000 1.008 227 E CA 1.368 57.802 56.400 0.057 0.000 0.852 227 E CB -0.303 29.415 29.700 0.030 0.000 0.783 227 E HN 0.707 nan 8.360 nan 0.000 0.505 228 S N -0.754 114.996 115.700 0.084 0.000 2.540 228 S HA 0.099 4.569 4.470 -0.001 0.000 0.218 228 S C 1.399 176.058 174.600 0.098 0.000 0.977 228 S CA -0.564 57.677 58.200 0.069 0.000 0.918 228 S CB -0.688 62.533 63.200 0.034 0.000 0.806 228 S HN 0.216 nan 8.310 nan 0.000 0.496 229 F N 3.996 123.955 119.950 0.016 0.000 2.065 229 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 229 F C 2.153 177.992 175.800 0.065 0.000 1.112 229 F CA 2.128 60.152 58.000 0.040 0.000 1.212 229 F CB -0.815 38.197 39.000 0.021 0.000 0.975 229 F HN 0.384 nan 8.300 nan 0.000 0.476 230 N N 0.457 119.249 118.700 0.153 0.000 2.061 230 N HA -0.298 4.441 4.740 -0.001 0.000 0.193 230 N C 1.838 177.334 175.510 -0.024 0.000 1.030 230 N CA 2.133 55.212 53.050 0.050 0.000 0.856 230 N CB -0.558 37.985 38.487 0.093 0.000 1.023 230 N HN 0.673 nan 8.380 nan 0.000 0.424 231 E N -1.303 118.891 120.200 -0.011 0.000 2.150 231 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 231 E C 0.653 177.218 176.600 -0.059 0.000 0.985 231 E CA 1.319 57.706 56.400 -0.023 0.000 0.814 231 E CB -0.136 29.559 29.700 -0.007 0.000 0.752 231 E HN 0.371 nan 8.360 nan 0.000 0.466 232 D N 0.039 120.379 120.400 -0.100 0.000 2.271 232 D HA -0.048 4.592 4.640 -0.001 0.000 0.206 232 D C -0.133 176.045 176.300 -0.204 0.000 0.967 232 D CA 0.300 54.220 54.000 -0.134 0.000 0.867 232 D CB -0.291 40.439 40.800 -0.117 0.000 0.960 232 D HN 0.198 nan 8.370 nan 0.000 0.509 233 Y N 2.359 122.405 120.300 -0.423 0.000 2.650 233 Y HA 0.193 4.742 4.550 -0.001 0.000 0.331 233 Y C -0.038 175.728 175.900 -0.224 0.000 1.165 233 Y CA -0.486 57.341 58.100 -0.455 0.000 1.473 233 Y CB 0.277 38.342 38.460 -0.658 0.000 1.224 233 Y HN -0.241 nan 8.280 nan 0.000 0.533 234 V N 2.792 122.180 119.914 -0.876 0.000 3.007 234 V HA 0.603 4.722 4.120 -0.001 0.000 0.311 234 V C -0.111 175.520 176.094 -0.771 0.000 1.120 234 V CA -0.587 61.338 62.300 -0.625 0.000 0.980 234 V CB 1.272 32.909 31.823 -0.311 0.000 1.033 234 V HN 0.856 nan 8.190 nan 0.000 0.429 235 T N 0.380 114.688 114.554 -0.409 0.000 2.926 235 T HA 0.388 4.737 4.350 -0.001 0.000 0.307 235 T C 0.044 174.633 174.700 -0.186 0.000 1.059 235 T CA -0.037 61.922 62.100 -0.236 0.000 1.122 235 T CB 0.808 69.633 68.868 -0.072 0.000 0.972 235 T HN 0.906 nan 8.240 nan 0.000 0.545 236 Q N 1.286 121.012 119.800 -0.123 0.000 2.563 236 Q HA 0.248 4.587 4.340 -0.001 0.000 0.367 236 Q C -0.595 175.422 176.000 0.027 0.000 0.845 236 Q CA -0.352 55.399 55.803 -0.087 0.000 1.077 236 Q CB 1.029 29.659 28.738 -0.181 0.000 1.409 236 Q HN 0.723 nan 8.270 nan 0.000 0.396 237 S N 0.758 116.461 115.700 0.005 0.000 2.576 237 S HA 0.310 4.779 4.470 -0.001 0.000 0.276 237 S C 0.164 174.724 174.600 -0.068 0.000 1.339 237 S CA -0.349 57.846 58.200 -0.008 0.000 1.039 237 S CB 0.775 63.961 63.200 -0.023 0.000 0.902 237 S HN 0.366 nan 8.310 nan 0.000 0.516 238 L N 2.271 123.358 121.223 -0.226 0.000 2.326 238 L HA 0.623 4.963 4.340 -0.001 0.000 0.278 238 L C 0.275 176.854 176.870 -0.485 0.000 1.092 238 L CA -0.184 54.321 54.840 -0.560 0.000 0.810 238 L CB 0.732 42.126 42.059 -1.109 0.000 1.153 238 L HN 0.761 nan 8.230 nan 0.000 0.439 239 A N 2.163 124.771 122.820 -0.353 0.000 2.549 239 A HA 0.771 5.091 4.320 -0.001 0.000 0.297 239 A C -0.185 177.479 177.584 0.133 0.000 1.061 239 A CA -0.134 51.880 52.037 -0.038 0.000 0.690 239 A CB 1.352 20.348 19.000 -0.007 0.000 1.287 239 A HN 0.719 nan 8.150 nan 0.000 0.402 240 G N 0.642 109.613 108.800 0.285 0.000 2.510 240 G HA2 0.666 4.626 3.960 -0.001 0.000 0.280 240 G HA3 0.666 4.626 3.960 -0.001 0.000 0.280 240 G C -1.936 173.030 174.900 0.110 0.000 1.386 240 G CA -0.946 44.287 45.100 0.221 0.000 1.047 240 G HN 0.702 nan 8.290 nan 0.000 0.527 241 P HA 0.444 nan 4.420 nan 0.000 0.276 241 P C -0.850 176.499 177.300 0.082 0.000 1.252 241 P CA -0.209 62.934 63.100 0.072 0.000 0.802 241 P CB 1.703 33.428 31.700 0.042 0.000 1.035 242 S N -0.574 115.168 115.700 0.070 0.000 2.556 242 S HA 0.247 4.716 4.470 -0.001 0.000 0.271 242 S C 0.317 174.941 174.600 0.040 0.000 1.135 242 S CA -0.596 57.646 58.200 0.069 0.000 0.858 242 S CB 1.167 64.434 63.200 0.112 0.000 1.114 242 S HN 0.610 nan 8.310 nan 0.000 0.468 243 D N 2.308 122.732 120.400 0.039 0.000 2.349 243 D HA 0.046 4.685 4.640 -0.001 0.000 0.215 243 D C -0.035 176.282 176.300 0.028 0.000 1.016 243 D CA 0.126 54.143 54.000 0.030 0.000 0.870 243 D CB 0.114 40.932 40.800 0.031 0.000 0.917 243 D HN 0.383 nan 8.370 nan 0.000 0.524 244 K N 0.461 120.881 120.400 0.033 0.000 2.295 244 K HA 0.394 4.713 4.320 -0.001 0.000 0.270 244 K C 0.035 176.645 176.600 0.015 0.000 1.011 244 K CA -0.219 56.084 56.287 0.028 0.000 0.953 244 K CB 1.570 34.093 32.500 0.038 0.000 0.956 244 K HN 0.075 nan 8.250 nan 0.000 0.477 245 L N 1.948 123.177 121.223 0.010 0.000 2.342 245 L HA 0.519 4.858 4.340 -0.001 0.000 0.271 245 L C -0.158 176.699 176.870 -0.022 0.000 1.008 245 L CA -0.968 53.875 54.840 0.005 0.000 0.818 245 L CB 1.865 43.934 42.059 0.016 0.000 1.296 245 L HN 0.548 nan 8.230 nan 0.000 0.427 246 R N 1.921 122.396 120.500 -0.042 0.000 2.437 246 R HA 0.839 5.178 4.340 -0.001 0.000 0.310 246 R C -1.355 174.865 176.300 -0.133 0.000 0.955 246 R CA -0.240 55.792 56.100 -0.114 0.000 0.851 246 R CB 1.743 31.909 30.300 -0.224 0.000 1.161 246 R HN 0.782 nan 8.270 nan 0.000 0.446 247 A N 2.451 125.166 122.820 -0.175 0.000 2.527 247 A HA 0.666 4.985 4.320 -0.001 0.000 0.293 247 A C -1.159 176.162 177.584 -0.439 0.000 1.117 247 A CA -0.712 51.121 52.037 -0.340 0.000 0.723 247 A CB 2.267 20.990 19.000 -0.461 0.000 1.313 247 A HN 0.631 nan 8.150 nan 0.000 0.411 248 T N 1.282 115.484 114.554 -0.586 0.000 2.812 248 T HA 0.607 4.956 4.350 -0.001 0.000 0.282 248 T C -1.230 173.069 174.700 -0.668 0.000 0.990 248 T CA 0.143 61.977 62.100 -0.444 0.000 0.960 248 T CB 0.170 68.886 68.868 -0.253 0.000 0.948 248 T HN 0.324 nan 8.240 nan 0.000 0.438 249 F N 3.132 122.943 119.950 -0.231 0.000 2.436 249 F HA 0.549 5.075 4.527 -0.002 0.000 0.340 249 F C 0.160 175.842 175.800 -0.197 0.000 1.113 249 F CA -1.347 56.392 58.000 -0.435 0.000 1.022 249 F CB 1.049 39.431 39.000 -1.030 0.000 1.128 249 F HN 0.246 nan 8.300 nan 0.000 0.466 250 I N 4.933 125.552 120.570 0.081 0.000 2.336 250 I HA 0.298 4.468 4.170 -0.001 0.000 0.292 250 I C -0.428 175.856 176.117 0.279 0.000 0.991 250 I CA -0.694 60.691 61.300 0.141 0.000 1.227 250 I CB 1.303 39.339 38.000 0.060 0.000 1.366 250 I HN 0.490 nan 8.210 nan 0.000 0.466 251 L N 6.353 127.706 121.223 0.216 0.000 2.295 251 L HA 0.291 4.630 4.340 -0.001 0.000 0.281 251 L C 0.761 177.665 176.870 0.057 0.000 1.018 251 L CA -0.523 54.398 54.840 0.134 0.000 0.841 251 L CB 1.456 43.587 42.059 0.120 0.000 1.218 251 L HN 0.680 nan 8.230 nan 0.000 0.424 252 T N -1.262 113.305 114.554 0.022 0.000 2.860 252 T HA 0.115 4.465 4.350 -0.001 0.000 0.299 252 T C 1.277 175.973 174.700 -0.007 0.000 1.045 252 T CA -0.492 61.610 62.100 0.004 0.000 1.071 252 T CB 1.387 70.250 68.868 -0.007 0.000 0.985 252 T HN 0.631 nan 8.240 nan 0.000 0.537 253 R N 1.035 121.533 120.500 -0.003 0.000 2.113 253 R HA -0.216 4.123 4.340 -0.001 0.000 0.244 253 R C 2.396 178.687 176.300 -0.016 0.000 1.142 253 R CA 1.966 58.065 56.100 -0.003 0.000 0.953 253 R CB -1.152 29.148 30.300 -0.001 0.000 0.860 253 R HN 0.872 nan 8.270 nan 0.000 0.438 254 A N 0.125 122.931 122.820 -0.024 0.000 1.873 254 A HA -0.087 4.232 4.320 -0.001 0.000 0.215 254 A C 2.351 179.902 177.584 -0.054 0.000 1.186 254 A CA 1.547 53.565 52.037 -0.033 0.000 0.616 254 A CB -0.545 18.436 19.000 -0.031 0.000 0.823 254 A HN 0.240 nan 8.150 nan 0.000 0.442 255 V N 0.245 120.114 119.914 -0.074 0.000 2.343 255 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 255 V C 2.426 178.438 176.094 -0.136 0.000 1.051 255 V CA 2.039 64.261 62.300 -0.130 0.000 1.036 255 V CB -0.659 31.063 31.823 -0.169 0.000 0.654 255 V HN 0.571 nan 8.190 nan 0.000 0.451 256 I N 0.396 120.915 120.570 -0.085 0.000 2.226 256 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 256 I C 2.349 178.454 176.117 -0.021 0.000 1.100 256 I CA 1.434 62.705 61.300 -0.048 0.000 1.374 256 I CB -0.499 37.498 38.000 -0.004 0.000 1.057 256 I HN 0.354 nan 8.210 nan 0.000 0.413 257 N N 0.543 119.230 118.700 -0.021 0.000 2.120 257 N HA -0.176 4.563 4.740 -0.001 0.000 0.188 257 N C 1.841 177.343 175.510 -0.014 0.000 1.024 257 N CA 1.152 54.196 53.050 -0.010 0.000 0.852 257 N CB -0.277 38.203 38.487 -0.012 0.000 1.003 257 N HN 0.450 nan 8.380 nan 0.000 0.424 258 Q N 0.361 120.137 119.800 -0.040 0.000 2.084 258 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 258 Q C 2.229 178.208 176.000 -0.035 0.000 0.978 258 Q CA 0.828 56.603 55.803 -0.047 0.000 0.844 258 Q CB -0.185 28.505 28.738 -0.080 0.000 0.898 258 Q HN 0.386 nan 8.270 nan 0.000 0.426 259 L N 0.681 121.865 121.223 -0.065 0.000 2.017 259 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 259 L C 2.621 179.607 176.870 0.194 0.000 1.073 259 L CA 1.303 56.140 54.840 -0.006 0.000 0.745 259 L CB -0.418 41.560 42.059 -0.135 0.000 0.894 259 L HN 0.182 nan 8.230 nan 0.000 0.432 260 K N -0.065 120.407 120.400 0.120 0.000 2.057 260 K HA -0.208 4.111 4.320 -0.001 0.000 0.207 260 K C 1.682 178.324 176.600 0.070 0.000 1.049 260 K CA 1.751 58.099 56.287 0.102 0.000 0.931 260 K CB 0.013 32.547 32.500 0.056 0.000 0.714 260 K HN 0.245 nan 8.250 nan 0.000 0.440 261 D N 0.040 120.468 120.400 0.047 0.000 2.144 261 D HA -0.152 4.488 4.640 -0.001 0.000 0.199 261 D C 1.961 178.287 176.300 0.042 0.000 0.984 261 D CA 0.923 54.941 54.000 0.030 0.000 0.834 261 D CB -0.085 40.722 40.800 0.013 0.000 0.955 261 D HN 0.095 nan 8.370 nan 0.000 0.465 262 R N 0.772 121.315 120.500 0.073 0.000 2.081 262 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 262 R C 2.065 178.418 176.300 0.089 0.000 1.131 262 R CA 0.966 57.123 56.100 0.094 0.000 0.960 262 R CB -0.738 29.652 30.300 0.150 0.000 0.856 262 R HN 0.024 nan 8.270 nan 0.000 0.436 263 V N 0.776 120.751 119.914 0.101 0.000 2.295 263 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 263 V C 2.315 178.407 176.094 -0.003 0.000 1.049 263 V CA 2.043 64.346 62.300 0.006 0.000 1.024 263 V CB -0.491 31.312 31.823 -0.034 0.000 0.648 263 V HN 0.302 nan 8.190 nan 0.000 0.447 264 L N -0.012 121.218 121.223 0.010 0.000 2.141 264 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 264 L C 2.655 179.525 176.870 -0.000 0.000 1.094 264 L CA 1.392 56.232 54.840 0.000 0.000 0.763 264 L CB -0.746 41.314 42.059 0.002 0.000 0.908 264 L HN 0.353 nan 8.230 nan 0.000 0.437 265 A N -0.493 122.331 122.820 0.007 0.000 1.897 265 A HA -0.187 4.132 4.320 -0.001 0.000 0.215 265 A C 2.235 179.819 177.584 -0.000 0.000 1.181 265 A CA 1.270 53.310 52.037 0.004 0.000 0.620 265 A CB -0.287 18.719 19.000 0.009 0.000 0.821 265 A HN 0.465 nan 8.150 nan 0.000 0.443 266 Q N -1.073 118.727 119.800 -0.000 0.000 2.212 266 Q HA 0.208 4.548 4.340 -0.001 0.000 0.199 266 Q C -0.171 175.818 176.000 -0.018 0.000 0.950 266 Q CA 0.481 56.279 55.803 -0.008 0.000 0.863 266 Q CB 0.123 28.857 28.738 -0.007 0.000 0.944 266 Q HN 0.536 nan 8.270 nan 0.000 0.465 267 L N 2.227 123.437 121.223 -0.022 0.000 2.556 267 L HA 0.258 4.597 4.340 -0.001 0.000 0.243 267 L C -1.898 174.960 176.870 -0.020 0.000 1.331 267 L CA -1.226 53.598 54.840 -0.026 0.000 0.927 267 L CB 1.131 43.167 42.059 -0.038 0.000 1.219 267 L HN -0.055 nan 8.230 nan 0.000 0.490 268 P HA -0.064 nan 4.420 nan 0.000 0.233 268 P C 1.028 178.318 177.300 -0.016 0.000 1.167 268 P CA 0.890 63.981 63.100 -0.014 0.000 0.770 268 P CB 0.129 31.823 31.700 -0.011 0.000 0.837 269 T N -3.861 110.681 114.554 -0.020 0.000 3.129 269 T HA 0.223 4.572 4.350 -0.001 0.000 0.267 269 T C 0.449 175.129 174.700 -0.033 0.000 1.018 269 T CA -0.569 61.516 62.100 -0.024 0.000 0.903 269 T CB -0.644 68.209 68.868 -0.024 0.000 1.067 269 T HN -0.141 nan 8.240 nan 0.000 0.549 270 L N 2.676 123.884 121.223 -0.026 0.000 2.534 270 L HA 0.244 4.583 4.340 -0.001 0.000 0.271 270 L C 1.164 178.025 176.870 -0.016 0.000 1.178 270 L CA 0.482 55.310 54.840 -0.020 0.000 0.907 270 L CB 0.145 42.199 42.059 -0.007 0.000 1.164 270 L HN 0.205 nan 8.230 nan 0.000 0.482 271 E N 4.030 124.203 120.200 -0.046 0.000 2.285 271 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 271 E C -0.674 175.997 176.600 0.118 0.000 0.997 271 E CA 0.770 57.132 56.400 -0.063 0.000 0.845 271 E CB 0.161 29.628 29.700 -0.388 0.000 0.782 271 E HN 0.637 nan 8.360 nan 0.000 0.491 272 Y N 0.212 120.537 120.300 0.042 0.000 2.331 272 Y HA 0.302 4.851 4.550 -0.001 0.000 0.326 272 Y C -1.410 174.533 175.900 0.072 0.000 1.020 272 Y CA -0.847 57.316 58.100 0.104 0.000 1.136 272 Y CB 1.337 39.905 38.460 0.180 0.000 1.157 272 Y HN -0.368 nan 8.280 nan 0.000 0.444 273 V N 5.359 125.214 119.914 -0.098 0.000 2.612 273 V HA 0.600 4.719 4.120 -0.001 0.000 0.301 273 V C -0.828 175.198 176.094 -0.113 0.000 1.059 273 V CA -0.538 61.761 62.300 -0.002 0.000 0.886 273 V CB 1.548 33.367 31.823 -0.007 0.000 1.007 273 V HN 0.776 nan 8.190 nan 0.000 0.426 274 S N 2.300 118.028 115.700 0.047 0.000 2.661 274 S HA 0.537 5.007 4.470 -0.001 0.000 0.285 274 S C 0.875 175.545 174.600 0.116 0.000 1.138 274 S CA -0.052 58.182 58.200 0.055 0.000 0.855 274 S CB 1.898 65.184 63.200 0.143 0.000 1.136 274 S HN 0.436 nan 8.310 nan 0.000 0.484 275 S N 0.220 115.985 115.700 0.107 0.000 2.374 275 S HA -0.077 4.392 4.470 -0.001 0.000 0.227 275 S C 1.268 175.957 174.600 0.148 0.000 1.037 275 S CA 1.769 60.036 58.200 0.112 0.000 1.024 275 S CB -0.780 62.479 63.200 0.098 0.000 0.861 275 S HN 0.629 nan 8.310 nan 0.000 0.456 276 F N 2.731 122.702 119.950 0.036 0.000 2.113 276 F HA -0.172 4.354 4.527 -0.001 0.000 0.297 276 F C 2.766 178.557 175.800 -0.015 0.000 1.103 276 F CA 1.846 59.844 58.000 -0.004 0.000 1.248 276 F CB -0.960 38.005 39.000 -0.059 0.000 0.999 276 F HN 0.311 nan 8.300 nan 0.000 0.475 277 T N -2.229 112.397 114.554 0.121 0.000 2.788 277 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 277 T C 2.034 176.740 174.700 0.010 0.000 1.044 277 T CA 1.480 63.601 62.100 0.034 0.000 1.139 277 T CB -1.232 67.769 68.868 0.222 0.000 0.867 277 T HN 0.137 nan 8.240 nan 0.000 0.454 278 V N 2.019 121.981 119.914 0.081 0.000 2.358 278 V HA -0.033 4.087 4.120 -0.001 0.000 0.246 278 V C 3.247 179.464 176.094 0.205 0.000 1.047 278 V CA 1.589 64.001 62.300 0.186 0.000 1.035 278 V CB -1.364 30.580 31.823 0.202 0.000 0.658 278 V HN 0.704 nan 8.190 nan 0.000 0.452 279 A N -1.070 121.784 122.820 0.056 0.000 1.877 279 A HA -0.266 4.053 4.320 -0.001 0.000 0.216 279 A C 2.378 179.975 177.584 0.021 0.000 1.186 279 A CA 2.211 54.277 52.037 0.048 0.000 0.620 279 A CB -1.207 17.784 19.000 -0.016 0.000 0.822 279 A HN 0.580 nan 8.150 nan 0.000 0.443 280 C N -1.013 118.164 119.300 -0.205 0.000 2.398 280 C HA -0.038 4.421 4.460 -0.001 0.000 0.276 280 C C 3.341 178.195 174.990 -0.227 0.000 1.222 280 C CA 0.986 59.852 59.018 -0.253 0.000 1.746 280 C CB -1.409 26.111 27.740 -0.366 0.000 2.039 280 C HN 0.702 nan 8.230 nan 0.000 0.470 281 A N -1.133 121.670 122.820 -0.029 0.000 1.902 281 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 281 A C 1.994 179.741 177.584 0.271 0.000 1.181 281 A CA 1.828 53.915 52.037 0.083 0.000 0.623 281 A CB -0.953 18.044 19.000 -0.005 0.000 0.818 281 A HN 0.668 nan 8.150 nan 0.000 0.443 282 Y N -0.396 120.079 120.300 0.290 0.000 2.145 282 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 282 Y C 2.064 178.001 175.900 0.062 0.000 1.145 282 Y CA 1.840 60.015 58.100 0.126 0.000 1.148 282 Y CB -0.291 38.089 38.460 -0.133 0.000 0.981 282 Y HN 0.266 nan 8.280 nan 0.000 0.507 283 I N -0.665 119.994 120.570 0.149 0.000 2.286 283 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 283 I C 2.065 178.282 176.117 0.165 0.000 1.115 283 I CA 1.290 62.699 61.300 0.182 0.000 1.392 283 I CB -0.687 37.509 38.000 0.327 0.000 1.065 283 I HN 0.501 nan 8.210 nan 0.000 0.418 284 W N 0.538 121.706 121.300 -0.220 0.000 2.358 284 W HA -0.197 4.462 4.660 -0.002 0.000 0.303 284 W C 2.879 179.315 176.519 -0.139 0.000 1.208 284 W CA 1.648 58.843 57.345 -0.250 0.000 1.274 284 W CB -1.171 27.896 29.460 -0.655 0.000 1.138 284 W HN 0.213 nan 8.180 nan 0.000 0.515 285 S N -0.734 114.889 115.700 -0.129 0.000 2.370 285 S HA -0.218 4.251 4.470 -0.001 0.000 0.226 285 S C 2.020 176.462 174.600 -0.263 0.000 1.033 285 S CA 1.966 60.008 58.200 -0.262 0.000 1.011 285 S CB -0.899 62.159 63.200 -0.236 0.000 0.852 285 S HN 0.296 nan 8.310 nan 0.000 0.457 286 C N 1.001 120.100 119.300 -0.335 0.000 2.429 286 C HA 0.036 4.495 4.460 -0.001 0.000 0.277 286 C C 2.417 177.348 174.990 -0.099 0.000 1.262 286 C CA 0.546 59.333 59.018 -0.385 0.000 1.733 286 C CB -1.476 25.893 27.740 -0.619 0.000 2.010 286 C HN 0.628 nan 8.230 nan 0.000 0.483 287 I N 1.512 122.200 120.570 0.197 0.000 2.286 287 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 287 I C 2.753 179.000 176.117 0.217 0.000 1.115 287 I CA 1.551 63.078 61.300 0.379 0.000 1.392 287 I CB -0.536 37.749 38.000 0.475 0.000 1.065 287 I HN 0.291 nan 8.210 nan 0.000 0.418 288 A N 0.777 123.655 122.820 0.097 0.000 1.877 288 A HA -0.282 4.037 4.320 -0.001 0.000 0.216 288 A C 2.379 179.958 177.584 -0.008 0.000 1.186 288 A CA 2.103 54.141 52.037 0.003 0.000 0.620 288 A CB -0.562 18.337 19.000 -0.168 0.000 0.822 288 A HN 0.347 nan 8.150 nan 0.000 0.443 289 K N -0.360 120.009 120.400 -0.051 0.000 2.057 289 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 289 K C 2.360 178.963 176.600 0.005 0.000 1.049 289 K CA 1.570 57.826 56.287 -0.051 0.000 0.931 289 K CB -0.242 32.192 32.500 -0.109 0.000 0.714 289 K HN 0.435 nan 8.250 nan 0.000 0.440 290 S N 0.178 115.909 115.700 0.052 0.000 2.370 290 S HA -0.116 4.353 4.470 -0.001 0.000 0.226 290 S C 2.023 176.700 174.600 0.128 0.000 1.033 290 S CA 0.969 59.254 58.200 0.142 0.000 1.011 290 S CB -0.147 63.259 63.200 0.343 0.000 0.852 290 S HN 0.305 nan 8.310 nan 0.000 0.457 291 R N 0.918 121.492 120.500 0.123 0.000 2.100 291 R HA 0.129 4.468 4.340 -0.001 0.000 0.220 291 R C 0.808 177.151 176.300 0.073 0.000 1.091 291 R CA 0.709 56.873 56.100 0.107 0.000 0.986 291 R CB -1.274 29.102 30.300 0.126 0.000 0.888 291 R HN 0.572 nan 8.270 nan 0.000 0.444 292 N N 1.930 120.662 118.700 0.053 0.000 2.714 292 N HA -0.163 4.577 4.740 -0.001 0.000 0.252 292 N C -0.574 174.958 175.510 0.037 0.000 1.014 292 N CA 0.950 54.019 53.050 0.032 0.000 0.735 292 N CB -0.679 37.824 38.487 0.026 0.000 0.924 292 N HN 0.439 nan 8.380 nan 0.000 0.540 293 D N -1.204 119.225 120.400 0.048 0.000 2.440 293 D HA 0.281 4.920 4.640 -0.001 0.000 0.282 293 D C 0.872 177.198 176.300 0.043 0.000 1.189 293 D CA -0.002 54.030 54.000 0.053 0.000 1.105 293 D CB 0.166 41.011 40.800 0.074 0.000 1.173 293 D HN 0.279 nan 8.370 nan 0.000 0.577 294 K N -1.824 118.608 120.400 0.053 0.000 2.312 294 K HA 0.330 4.650 4.320 -0.001 0.000 0.206 294 K C -0.206 176.426 176.600 0.054 0.000 1.121 294 K CA -0.185 56.128 56.287 0.044 0.000 0.923 294 K CB 0.661 33.187 32.500 0.042 0.000 1.162 294 K HN 0.146 nan 8.250 nan 0.000 0.478 295 L N 1.431 122.703 121.223 0.081 0.000 2.493 295 L HA 0.308 4.647 4.340 -0.001 0.000 0.265 295 L C -1.996 174.973 176.870 0.165 0.000 0.954 295 L CA -0.276 54.628 54.840 0.107 0.000 0.844 295 L CB 2.129 44.242 42.059 0.090 0.000 1.302 295 L HN 0.017 nan 8.230 nan 0.000 0.405 296 Q N 4.195 124.144 119.800 0.247 0.000 2.375 296 Q HA 0.585 4.925 4.340 -0.001 0.000 0.271 296 Q C -1.597 174.679 176.000 0.460 0.000 1.074 296 Q CA -0.856 55.180 55.803 0.388 0.000 0.808 296 Q CB 3.346 32.432 28.738 0.580 0.000 1.327 296 Q HN 0.698 nan 8.270 nan 0.000 0.441 297 L N 2.224 123.635 121.223 0.313 0.000 2.329 297 L HA 0.679 5.018 4.340 -0.001 0.000 0.279 297 L C -1.700 175.158 176.870 -0.020 0.000 1.014 297 L CA -0.685 54.261 54.840 0.175 0.000 0.814 297 L CB 1.106 43.243 42.059 0.131 0.000 1.257 297 L HN 0.633 nan 8.230 nan 0.000 0.424 298 F N 3.825 123.443 119.950 -0.553 0.000 2.557 298 F HA 0.814 5.341 4.527 -0.001 0.000 0.316 298 F C -0.182 175.324 175.800 -0.490 0.000 1.141 298 F CA -0.183 57.349 58.000 -0.779 0.000 0.922 298 F CB 1.906 39.760 39.000 -1.911 0.000 1.194 298 F HN 0.523 nan 8.300 nan 0.000 0.443 299 G N 3.799 112.164 108.800 -0.726 0.000 2.708 299 G HA2 0.716 4.675 3.960 -0.001 0.000 0.289 299 G HA3 0.716 4.675 3.960 -0.001 0.000 0.289 299 G C -2.098 171.907 174.900 -1.491 0.000 1.416 299 G CA -0.745 43.786 45.100 -0.949 0.000 0.829 299 G HN 0.805 nan 8.290 nan 0.000 0.480 300 F N -1.944 117.063 119.950 -1.571 0.000 2.693 300 F HA 0.792 5.319 4.527 -0.000 0.000 0.309 300 F C -2.918 172.519 175.800 -0.604 0.000 1.129 300 F CA -2.656 54.685 58.000 -1.099 0.000 0.948 300 F CB 1.187 40.039 39.000 -0.247 0.000 1.315 300 F HN 0.441 nan 8.300 nan 0.000 0.447 301 P HA 0.524 nan 4.420 nan 0.000 0.276 301 P C -0.938 176.510 177.300 0.246 0.000 1.244 301 P CA -0.169 63.096 63.100 0.275 0.000 0.801 301 P CB 2.080 33.988 31.700 0.347 0.000 1.006 302 I N 0.732 121.426 120.570 0.207 0.000 2.499 302 I HA 0.205 4.375 4.170 -0.001 0.000 0.288 302 I C -0.034 176.133 176.117 0.084 0.000 1.048 302 I CA -0.805 60.592 61.300 0.161 0.000 1.062 302 I CB 1.882 40.036 38.000 0.257 0.000 1.238 302 I HN 0.208 nan 8.210 nan 0.000 0.426 303 D N 5.607 126.019 120.400 0.019 0.000 2.358 303 D HA 0.106 4.745 4.640 -0.001 0.000 0.258 303 D C 0.877 177.137 176.300 -0.066 0.000 1.223 303 D CA 0.360 54.336 54.000 -0.040 0.000 0.886 303 D CB 0.921 41.693 40.800 -0.045 0.000 1.120 303 D HN 0.409 nan 8.370 nan 0.000 0.482 304 R N 2.966 123.362 120.500 -0.173 0.000 2.300 304 R HA 0.127 4.467 4.340 -0.001 0.000 0.199 304 R C 1.930 178.105 176.300 -0.209 0.000 0.920 304 R CA -0.075 55.874 56.100 -0.251 0.000 1.046 304 R CB 0.386 30.433 30.300 -0.422 0.000 0.984 304 R HN 0.414 nan 8.270 nan 0.000 0.493 305 R N 0.787 121.178 120.500 -0.182 0.000 2.122 305 R HA -0.185 4.155 4.340 -0.001 0.000 0.236 305 R C 2.178 178.426 176.300 -0.086 0.000 1.129 305 R CA 2.119 58.131 56.100 -0.146 0.000 0.925 305 R CB -0.460 29.783 30.300 -0.095 0.000 0.850 305 R HN 0.154 nan 8.270 nan 0.000 0.431 306 A N 1.121 123.912 122.820 -0.049 0.000 2.121 306 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 306 A C 0.885 178.468 177.584 -0.002 0.000 1.154 306 A CA 0.808 52.835 52.037 -0.016 0.000 0.679 306 A CB -0.124 18.875 19.000 -0.001 0.000 0.795 306 A HN 0.082 nan 8.150 nan 0.000 0.458 310 P HA 0.481 nan 4.420 nan 0.000 0.276 310 P C -2.609 174.703 177.300 0.021 0.000 1.252 310 P CA -1.166 61.954 63.100 0.034 0.000 0.802 310 P CB -0.218 31.497 31.700 0.025 0.000 1.035 311 P HA 0.096 nan 4.420 nan 0.000 0.266 311 P C -0.300 176.986 177.300 -0.023 0.000 1.195 311 P CA 0.120 63.216 63.100 -0.007 0.000 0.768 311 P CB 0.204 31.904 31.700 0.001 0.000 0.838 312 I N 4.447 124.983 120.570 -0.057 0.000 2.342 312 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 312 I C -1.994 174.105 176.117 -0.031 0.000 1.010 312 I CA -3.156 58.090 61.300 -0.089 0.000 1.308 312 I CB 0.375 38.236 38.000 -0.231 0.000 1.400 312 I HN 0.170 nan 8.210 nan 0.000 0.488 313 P HA 0.073 nan 4.420 nan 0.000 0.266 313 P C 0.956 178.297 177.300 0.067 0.000 1.195 313 P CA 0.152 63.278 63.100 0.043 0.000 0.768 313 P CB 0.432 32.169 31.700 0.062 0.000 0.838 314 T N 1.474 116.059 114.554 0.051 0.000 2.737 314 T HA -0.211 4.138 4.350 -0.001 0.000 0.269 314 T C 1.619 176.373 174.700 0.091 0.000 1.040 314 T CA 1.905 64.041 62.100 0.059 0.000 1.142 314 T CB -0.549 68.348 68.868 0.049 0.000 0.861 314 T HN 0.509 nan 8.240 nan 0.000 0.456 315 A N 0.326 123.199 122.820 0.087 0.000 2.235 315 A HA 0.167 4.487 4.320 -0.001 0.000 0.208 315 A C 0.748 178.382 177.584 0.083 0.000 1.172 315 A CA -0.296 51.789 52.037 0.080 0.000 0.786 315 A CB -0.920 18.105 19.000 0.042 0.000 0.804 315 A HN 0.584 nan 8.150 nan 0.000 0.479 316 Y N 0.023 120.325 120.300 0.003 0.000 2.881 316 Y HA 0.129 4.678 4.550 -0.001 0.000 0.335 316 Y C -0.244 175.679 175.900 0.038 0.000 1.263 316 Y CA -0.407 57.701 58.100 0.014 0.000 1.572 316 Y CB -0.244 38.214 38.460 -0.003 0.000 1.237 316 Y HN 0.246 nan 8.280 nan 0.000 0.568 317 F N 6.906 126.419 119.950 -0.729 0.000 2.424 317 F HA 0.555 5.082 4.527 -0.001 0.000 0.356 317 F C 0.546 175.947 175.800 -0.664 0.000 1.110 317 F CA 0.931 58.620 58.000 -0.518 0.000 1.161 317 F CB 0.133 38.897 39.000 -0.394 0.000 1.115 317 F HN 0.845 nan 8.300 nan 0.000 0.507 318 G N 4.793 113.229 108.800 -0.606 0.000 2.293 318 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.282 318 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.282 318 G C -1.709 173.125 174.900 -0.111 0.000 1.299 318 G CA -1.196 43.741 45.100 -0.272 0.000 1.018 318 G HN 0.597 nan 8.290 nan 0.000 0.478 319 N N -0.522 118.198 118.700 0.033 0.000 2.472 319 N HA 0.470 5.209 4.740 -0.001 0.000 0.277 319 N C -0.946 174.467 175.510 -0.162 0.000 1.081 319 N CA 0.275 53.344 53.050 0.032 0.000 0.973 319 N CB 1.645 40.253 38.487 0.203 0.000 1.105 319 N HN 0.813 nan 8.380 nan 0.000 0.470 320 C N 3.410 122.474 119.300 -0.394 0.000 3.493 320 C HA 0.336 4.795 4.460 -0.001 0.000 0.228 320 C C -0.711 173.840 174.990 -0.730 0.000 1.227 320 C CA -0.477 57.910 59.018 -1.052 0.000 1.291 320 C CB -1.564 25.766 27.740 -0.682 0.000 1.820 320 C HN 0.505 nan 8.230 nan 0.000 0.547 321 V N 1.799 121.374 119.914 -0.566 0.000 2.735 321 V HA 1.065 5.184 4.120 -0.001 0.000 0.310 321 V C 0.283 176.388 176.094 0.019 0.000 1.061 321 V CA 0.210 62.434 62.300 -0.126 0.000 0.913 321 V CB 1.457 33.355 31.823 0.124 0.000 1.005 321 V HN 0.693 nan 8.190 nan 0.000 0.428 322 G N 1.262 110.119 108.800 0.096 0.000 3.075 322 G HA2 0.919 4.878 3.960 -0.001 0.000 0.253 322 G HA3 0.919 4.878 3.960 -0.001 0.000 0.253 322 G C -0.283 174.771 174.900 0.256 0.000 1.353 322 G CA -0.565 44.662 45.100 0.212 0.000 1.051 322 G HN 1.559 nan 8.290 nan 0.000 0.553 323 G N -2.435 106.525 108.800 0.267 0.000 2.692 323 G HA2 0.517 4.477 3.960 -0.001 0.000 0.291 323 G HA3 0.517 4.477 3.960 -0.001 0.000 0.291 323 G C -1.825 173.096 174.900 0.035 0.000 1.423 323 G CA -0.223 45.029 45.100 0.253 0.000 0.843 323 G HN 1.178 nan 8.290 nan 0.000 0.486 324 C N 0.272 119.381 119.300 -0.318 0.000 2.686 324 C HA 0.948 5.407 4.460 -0.001 0.000 0.318 324 C C -0.030 174.592 174.990 -0.613 0.000 1.160 324 C CA 0.499 59.231 59.018 -0.475 0.000 1.396 324 C CB 0.425 27.760 27.740 -0.675 0.000 1.924 324 C HN 1.547 nan 8.230 nan 0.000 0.471 325 A N 3.172 125.842 122.820 -0.251 0.000 2.527 325 A HA 1.019 5.339 4.320 -0.001 0.000 0.293 325 A C -0.916 176.640 177.584 -0.047 0.000 1.117 325 A CA 0.069 52.013 52.037 -0.154 0.000 0.723 325 A CB 1.544 20.588 19.000 0.074 0.000 1.313 325 A HN 2.143 nan 8.150 nan 0.000 0.411 326 A N 0.335 123.148 122.820 -0.012 0.000 2.454 326 A HA 0.840 5.160 4.320 -0.001 0.000 0.302 326 A C -1.127 176.583 177.584 0.211 0.000 1.079 326 A CA -0.402 51.709 52.037 0.123 0.000 0.731 326 A CB 0.954 20.096 19.000 0.237 0.000 1.299 326 A HN 0.804 nan 8.150 nan 0.000 0.413 327 I N 0.716 121.468 120.570 0.303 0.000 2.545 327 I HA 0.698 4.867 4.170 -0.001 0.000 0.292 327 I C 0.109 176.427 176.117 0.335 0.000 1.040 327 I CA -0.368 61.133 61.300 0.335 0.000 1.068 327 I CB 2.196 40.312 38.000 0.193 0.000 1.251 327 I HN 0.866 nan 8.210 nan 0.000 0.424 328 A N 5.255 128.276 122.820 0.334 0.000 2.594 328 A HA 0.581 4.900 4.320 -0.001 0.000 0.295 328 A C -1.151 176.471 177.584 0.063 0.000 1.071 328 A CA -0.868 51.238 52.037 0.116 0.000 0.685 328 A CB 1.442 20.405 19.000 -0.062 0.000 1.285 328 A HN 0.634 nan 8.150 nan 0.000 0.405 329 K N 0.936 121.342 120.400 0.011 0.000 2.448 329 K HA 0.205 4.524 4.320 -0.001 0.000 0.278 329 K C 0.846 177.414 176.600 -0.053 0.000 1.009 329 K CA 0.391 56.677 56.287 -0.001 0.000 0.995 329 K CB 0.510 33.005 32.500 -0.008 0.000 0.917 329 K HN 0.711 nan 8.250 nan 0.000 0.481 330 T N 1.927 116.465 114.554 -0.028 0.000 2.699 330 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 330 T C 1.649 176.293 174.700 -0.093 0.000 1.036 330 T CA 1.851 63.914 62.100 -0.061 0.000 1.147 330 T CB -0.286 68.579 68.868 -0.005 0.000 0.862 330 T HN 0.743 nan 8.240 nan 0.000 0.446 331 N N 2.053 120.716 118.700 -0.062 0.000 2.348 331 N HA -0.109 4.630 4.740 -0.001 0.000 0.185 331 N C 1.637 177.094 175.510 -0.088 0.000 1.019 331 N CA 1.019 54.031 53.050 -0.064 0.000 0.880 331 N CB -0.628 37.835 38.487 -0.040 0.000 0.965 331 N HN 0.407 nan 8.380 nan 0.000 0.437 332 L N -0.123 121.035 121.223 -0.109 0.000 2.554 332 L HA 0.162 4.501 4.340 -0.001 0.000 0.226 332 L C 1.770 178.521 176.870 -0.198 0.000 1.137 332 L CA 0.206 54.968 54.840 -0.130 0.000 0.863 332 L CB -0.076 41.914 42.059 -0.115 0.000 0.985 332 L HN 0.076 nan 8.230 nan 0.000 0.451 333 L N -0.717 120.354 121.223 -0.253 0.000 2.616 333 L HA 0.240 4.579 4.340 -0.001 0.000 0.229 333 L C 0.656 177.369 176.870 -0.263 0.000 1.110 333 L CA -0.088 54.531 54.840 -0.369 0.000 0.884 333 L CB 0.500 42.197 42.059 -0.605 0.000 1.115 333 L HN 0.098 nan 8.230 nan 0.000 0.481 334 I N 0.202 120.665 120.570 -0.179 0.000 2.472 334 I HA 0.449 4.618 4.170 -0.001 0.000 0.290 334 I C 1.047 177.099 176.117 -0.108 0.000 1.016 334 I CA 0.133 61.349 61.300 -0.139 0.000 1.348 334 I CB 0.957 38.895 38.000 -0.103 0.000 1.417 334 I HN 0.179 nan 8.210 nan 0.000 0.521 335 G N 5.065 113.801 108.800 -0.106 0.000 2.725 335 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 335 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 335 G C 0.397 175.281 174.900 -0.027 0.000 1.357 335 G CA -0.195 44.862 45.100 -0.071 0.000 0.866 335 G HN 0.643 nan 8.290 nan 0.000 0.548 336 K N -0.073 120.326 120.400 -0.002 0.000 2.063 336 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 336 K C 2.289 178.941 176.600 0.087 0.000 1.048 336 K CA 1.829 58.151 56.287 0.058 0.000 0.928 336 K CB -0.150 32.369 32.500 0.032 0.000 0.713 336 K HN 0.466 nan 8.250 nan 0.000 0.442 337 E N -0.078 120.134 120.200 0.019 0.000 2.152 337 E HA -0.087 4.262 4.350 -0.001 0.000 0.192 337 E C 2.099 178.673 176.600 -0.044 0.000 0.983 337 E CA 0.915 57.310 56.400 -0.009 0.000 0.818 337 E CB -0.337 29.346 29.700 -0.028 0.000 0.758 337 E HN 0.450 nan 8.360 nan 0.000 0.467 338 G N 0.599 109.366 108.800 -0.055 0.000 2.418 338 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 338 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 338 G C 1.488 176.317 174.900 -0.118 0.000 1.158 338 G CA 0.608 45.635 45.100 -0.121 0.000 0.771 338 G HN 0.321 nan 8.290 nan 0.000 0.545 339 F N 1.747 121.606 119.950 -0.151 0.000 2.134 339 F HA -0.072 4.455 4.527 -0.001 0.000 0.299 339 F C 2.340 178.098 175.800 -0.069 0.000 1.097 339 F CA 0.887 58.820 58.000 -0.111 0.000 1.264 339 F CB -0.107 38.870 39.000 -0.038 0.000 1.001 339 F HN 0.025 nan 8.300 nan 0.000 0.479 340 I N 0.447 120.797 120.570 -0.368 0.000 2.179 340 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 340 I C 2.344 178.276 176.117 -0.307 0.000 1.088 340 I CA 1.859 62.915 61.300 -0.406 0.000 1.357 340 I CB -2.021 35.890 38.000 -0.148 0.000 1.051 340 I HN 0.184 nan 8.210 nan 0.000 0.409 341 T N 1.534 115.959 114.554 -0.215 0.000 2.720 341 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 341 T C 2.087 176.674 174.700 -0.189 0.000 1.037 341 T CA 1.628 63.623 62.100 -0.175 0.000 1.144 341 T CB -0.346 68.425 68.868 -0.162 0.000 0.864 341 T HN 0.470 nan 8.240 nan 0.000 0.444 342 A N 1.447 124.111 122.820 -0.260 0.000 1.908 342 A HA 0.096 4.415 4.320 -0.001 0.000 0.218 342 A C 2.638 180.182 177.584 -0.066 0.000 1.181 342 A CA 1.929 53.855 52.037 -0.186 0.000 0.627 342 A CB -1.091 17.779 19.000 -0.217 0.000 0.818 342 A HN 0.521 nan 8.150 nan 0.000 0.445 343 A N -0.526 122.146 122.820 -0.247 0.000 1.930 343 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 343 A C 2.137 179.680 177.584 -0.068 0.000 1.175 343 A CA 1.859 53.775 52.037 -0.202 0.000 0.627 343 A CB -0.411 18.322 19.000 -0.444 0.000 0.815 343 A HN 0.545 nan 8.150 nan 0.000 0.443 344 K N -0.196 120.151 120.400 -0.089 0.000 2.002 344 K HA -0.076 4.244 4.320 -0.001 0.000 0.209 344 K C 1.905 178.527 176.600 0.037 0.000 1.048 344 K CA 1.474 57.745 56.287 -0.027 0.000 0.930 344 K CB -0.313 32.157 32.500 -0.050 0.000 0.714 344 K HN 0.486 nan 8.250 nan 0.000 0.438 345 L N 0.754 122.013 121.223 0.061 0.000 2.056 345 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 345 L C 2.464 179.440 176.870 0.177 0.000 1.078 345 L CA 0.980 55.898 54.840 0.129 0.000 0.749 345 L CB -0.381 41.789 42.059 0.186 0.000 0.901 345 L HN 0.223 nan 8.230 nan 0.000 0.433 346 I N -0.031 120.669 120.570 0.216 0.000 2.142 346 I HA -0.223 3.947 4.170 -0.001 0.000 0.240 346 I C 2.681 178.920 176.117 0.204 0.000 1.078 346 I CA 1.570 63.019 61.300 0.248 0.000 1.343 346 I CB -0.905 37.254 38.000 0.266 0.000 1.046 346 I HN 0.260 nan 8.210 nan 0.000 0.405 347 G N 0.256 109.162 108.800 0.176 0.000 2.446 347 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 347 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 347 G C 1.517 176.516 174.900 0.165 0.000 1.168 347 G CA 0.840 46.064 45.100 0.206 0.000 0.771 347 G HN 0.418 nan 8.290 nan 0.000 0.551 348 E N 0.557 120.828 120.200 0.117 0.000 2.058 348 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 348 E C 2.549 179.209 176.600 0.099 0.000 0.997 348 E CA 1.181 57.638 56.400 0.094 0.000 0.801 348 E CB -0.098 29.639 29.700 0.061 0.000 0.746 348 E HN 0.298 nan 8.360 nan 0.000 0.450 349 N N 0.570 119.321 118.700 0.083 0.000 2.188 349 N HA -0.124 4.616 4.740 -0.001 0.000 0.184 349 N C 1.674 177.181 175.510 -0.006 0.000 1.018 349 N CA 0.519 53.595 53.050 0.043 0.000 0.858 349 N CB -0.241 38.272 38.487 0.043 0.000 0.989 349 N HN 0.058 nan 8.380 nan 0.000 0.426 350 L N 0.786 122.012 121.223 0.004 0.000 2.056 350 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 350 L C 2.193 178.949 176.870 -0.190 0.000 1.078 350 L CA 1.748 56.523 54.840 -0.109 0.000 0.749 350 L CB -0.952 41.019 42.059 -0.147 0.000 0.901 350 L HN 0.345 nan 8.230 nan 0.000 0.433 351 H N -0.178 118.799 119.070 -0.156 0.000 2.319 351 H HA -0.238 4.317 4.556 -0.001 0.000 0.299 351 H C 2.203 177.490 175.328 -0.067 0.000 1.092 351 H CA 2.170 58.183 56.048 -0.060 0.000 1.302 351 H CB 0.289 30.086 29.762 0.059 0.000 1.373 351 H HN 0.269 nan 8.280 nan 0.000 0.497 352 K N 0.285 120.718 120.400 0.056 0.000 2.032 352 K HA -0.104 4.215 4.320 -0.001 0.000 0.209 352 K C 2.283 178.792 176.600 -0.150 0.000 1.048 352 K CA 2.295 58.577 56.287 -0.009 0.000 0.927 352 K CB -0.720 31.793 32.500 0.022 0.000 0.712 352 K HN 0.195 nan 8.250 nan 0.000 0.441 353 T N 1.405 115.828 114.554 -0.219 0.000 2.684 353 T HA -0.110 4.239 4.350 -0.001 0.000 0.267 353 T C 1.726 176.010 174.700 -0.694 0.000 1.036 353 T CA 1.757 63.606 62.100 -0.418 0.000 1.148 353 T CB -0.253 68.376 68.868 -0.398 0.000 0.863 353 T HN 0.154 nan 8.240 nan 0.000 0.436 354 L N 1.195 122.113 121.223 -0.510 0.000 2.141 354 L HA -0.087 4.252 4.340 -0.001 0.000 0.209 354 L C 3.103 179.830 176.870 -0.237 0.000 1.094 354 L CA 1.528 56.135 54.840 -0.389 0.000 0.763 354 L CB -1.210 40.718 42.059 -0.219 0.000 0.908 354 L HN 0.471 nan 8.230 nan 0.000 0.437 355 T N -3.636 110.759 114.554 -0.265 0.000 2.746 355 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 355 T C 1.511 176.170 174.700 -0.069 0.000 1.039 355 T CA 1.381 63.386 62.100 -0.158 0.000 1.142 355 T CB -0.383 68.395 68.868 -0.151 0.000 0.866 355 T HN 0.170 nan 8.240 nan 0.000 0.444 356 D N 0.661 121.002 120.400 -0.099 0.000 2.123 356 D HA -0.084 4.556 4.640 -0.001 0.000 0.196 356 D C 1.916 178.287 176.300 0.119 0.000 0.992 356 D CA 1.127 55.117 54.000 -0.017 0.000 0.833 356 D CB -0.500 40.271 40.800 -0.048 0.000 0.954 356 D HN 0.427 nan 8.370 nan 0.000 0.455 357 Y N 0.964 121.261 120.300 -0.005 0.000 2.181 357 Y HA -0.091 4.458 4.550 -0.001 0.000 0.288 357 Y C 2.355 178.260 175.900 0.008 0.000 1.146 357 Y CA 0.491 58.595 58.100 0.007 0.000 1.164 357 Y CB -0.737 37.729 38.460 0.010 0.000 0.982 357 Y HN -0.007 nan 8.280 nan 0.000 0.515 358 K N 0.218 120.714 120.400 0.160 0.000 2.147 358 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 358 K C 0.857 177.500 176.600 0.072 0.000 1.049 358 K CA 1.582 57.924 56.287 0.091 0.000 0.936 358 K CB -0.040 32.489 32.500 0.049 0.000 0.722 358 K HN 0.207 nan 8.250 nan 0.000 0.446 359 D N -0.667 119.773 120.400 0.068 0.000 2.363 359 D HA 0.016 4.656 4.640 -0.001 0.000 0.226 359 D C 0.902 177.238 176.300 0.061 0.000 1.020 359 D CA 1.011 55.044 54.000 0.055 0.000 0.892 359 D CB 0.453 41.278 40.800 0.041 0.000 0.900 359 D HN 0.488 nan 8.370 nan 0.000 0.531 360 G N 0.542 109.391 108.800 0.081 0.000 2.136 360 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.242 360 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.242 360 G C 0.332 175.258 174.900 0.042 0.000 0.989 360 G CA 0.069 45.208 45.100 0.065 0.000 0.682 360 G HN 0.287 nan 8.290 nan 0.000 0.522 361 V N 1.217 121.176 119.914 0.075 0.000 2.439 361 V HA 0.325 4.444 4.120 -0.001 0.000 0.271 361 V C 1.764 177.888 176.094 0.052 0.000 1.040 361 V CA 0.502 62.834 62.300 0.054 0.000 1.002 361 V CB 1.124 32.992 31.823 0.075 0.000 1.000 361 V HN 0.317 nan 8.190 nan 0.000 0.477 362 L N 4.439 125.614 121.223 -0.081 0.000 2.253 362 L HA 0.140 4.479 4.340 -0.001 0.000 0.205 362 L C 1.524 178.329 176.870 -0.109 0.000 1.078 362 L CA 0.466 55.200 54.840 -0.176 0.000 0.805 362 L CB -0.228 41.525 42.059 -0.511 0.000 0.963 362 L HN 0.659 nan 8.230 nan 0.000 0.459 363 K N 0.881 121.225 120.400 -0.093 0.000 2.276 363 K HA 0.109 4.428 4.320 -0.001 0.000 0.259 363 K C -0.159 176.498 176.600 0.095 0.000 1.001 363 K CA -0.407 55.890 56.287 0.015 0.000 0.927 363 K CB 0.668 33.161 32.500 -0.012 0.000 0.969 363 K HN -0.009 nan 8.250 nan 0.000 0.490 371 D N 1.685 122.082 120.400 -0.005 0.000 2.149 371 D HA -0.002 4.637 4.640 -0.001 0.000 0.198 371 D C 1.840 178.146 176.300 0.011 0.000 0.990 371 D CA 1.133 55.135 54.000 0.003 0.000 0.839 371 D CB 0.197 41.000 40.800 0.005 0.000 0.948 371 D HN 0.383 nan 8.370 nan 0.000 0.460 372 L N -0.573 120.657 121.223 0.011 0.000 2.109 372 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 372 L C 2.493 179.373 176.870 0.017 0.000 1.086 372 L CA 0.337 55.188 54.840 0.020 0.000 0.760 372 L CB -0.353 41.719 42.059 0.022 0.000 0.910 372 L HN -0.030 nan 8.230 nan 0.000 0.437 373 V N -0.634 119.285 119.914 0.009 0.000 2.332 373 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 373 V C 2.727 178.827 176.094 0.010 0.000 1.055 373 V CA 2.203 64.507 62.300 0.008 0.000 1.038 373 V CB -0.478 31.346 31.823 0.001 0.000 0.651 373 V HN 0.486 nan 8.190 nan 0.000 0.450 374 S N -0.573 115.132 115.700 0.009 0.000 2.345 374 S HA -0.172 4.297 4.470 -0.001 0.000 0.219 374 S C 1.960 176.569 174.600 0.015 0.000 1.031 374 S CA 1.623 59.828 58.200 0.010 0.000 0.984 374 S CB -0.205 62.999 63.200 0.007 0.000 0.874 374 S HN 0.712 nan 8.310 nan 0.000 0.451 375 E N 0.118 120.329 120.200 0.019 0.000 2.208 375 E HA 0.272 4.621 4.350 -0.001 0.000 0.193 375 E C 1.013 177.631 176.600 0.030 0.000 0.988 375 E CA 0.405 56.820 56.400 0.025 0.000 0.828 375 E CB 0.060 29.777 29.700 0.029 0.000 0.763 375 E HN 0.619 nan 8.360 nan 0.000 0.478 379 T N -2.982 111.628 114.554 0.094 0.000 3.081 379 T HA 0.220 4.569 4.350 -0.001 0.000 0.255 379 T C 0.658 175.420 174.700 0.102 0.000 1.113 379 T CA 0.932 63.083 62.100 0.085 0.000 1.082 379 T CB 0.080 68.994 68.868 0.076 0.000 0.939 379 T HN 0.456 nan 8.240 nan 0.000 0.506 383 W N 4.847 125.995 121.300 -0.253 0.000 2.538 383 W HA 0.592 5.251 4.660 -0.001 0.000 0.322 383 W C -0.881 175.548 176.519 -0.149 0.000 1.028 383 W CA -0.684 56.526 57.345 -0.225 0.000 1.228 383 W CB 1.223 30.644 29.460 -0.064 0.000 1.356 383 W HN 0.464 nan 8.180 nan 0.000 0.452 384 V N 4.979 124.620 119.914 -0.456 0.000 2.572 384 V HA -0.006 4.113 4.120 -0.001 0.000 0.291 384 V C 0.583 176.700 176.094 0.037 0.000 1.039 384 V CA 0.495 62.701 62.300 -0.156 0.000 1.055 384 V CB 1.108 32.898 31.823 -0.055 0.000 0.969 384 V HN 0.498 nan 8.190 nan 0.000 0.482 385 S N 3.658 119.422 115.700 0.106 0.000 2.442 385 S HA 0.805 5.275 4.470 -0.001 0.000 0.297 385 S C -0.037 174.617 174.600 0.089 0.000 1.131 385 S CA 0.375 58.647 58.200 0.120 0.000 1.092 385 S CB 0.646 63.898 63.200 0.086 0.000 0.998 385 S HN 1.689 nan 8.310 nan 0.000 0.478 386 G N 2.270 111.121 108.800 0.086 0.000 2.348 386 G HA2 0.281 4.240 3.960 -0.001 0.000 0.606 386 G HA3 0.281 4.240 3.960 -0.001 0.000 0.606 386 G C -0.662 174.291 174.900 0.089 0.000 1.466 386 G CA -0.265 44.885 45.100 0.082 0.000 0.950 386 G HN 1.360 nan 8.290 nan 0.000 0.657 387 T N -0.396 114.207 114.554 0.082 0.000 3.038 387 T HA 0.641 4.990 4.350 -0.001 0.000 0.344 387 T C -1.746 172.975 174.700 0.034 0.000 1.054 387 T CA -1.306 60.800 62.100 0.010 0.000 1.092 387 T CB 2.350 71.223 68.868 0.009 0.000 1.031 387 T HN 0.235 nan 8.240 nan 0.000 0.482 388 P HA -0.095 nan 4.420 nan 0.000 0.218 388 P C 1.539 178.843 177.300 0.007 0.000 1.146 388 P CA 0.798 63.946 63.100 0.079 0.000 0.813 388 P CB 0.163 31.945 31.700 0.137 0.000 0.778 389 K N -0.853 119.510 120.400 -0.062 0.000 2.283 389 K HA 0.011 4.330 4.320 -0.001 0.000 0.202 389 K C 0.828 177.295 176.600 -0.221 0.000 1.048 389 K CA 0.549 56.772 56.287 -0.108 0.000 0.948 389 K CB -0.558 31.874 32.500 -0.112 0.000 0.742 389 K HN 0.306 nan 8.250 nan 0.000 0.458 390 L N 2.578 123.621 121.223 -0.300 0.000 2.265 390 L HA 0.204 4.543 4.340 -0.001 0.000 0.288 390 L C 0.569 177.112 176.870 -0.546 0.000 1.058 390 L CA -0.486 53.906 54.840 -0.748 0.000 0.809 390 L CB 0.883 42.425 42.059 -0.862 0.000 1.179 390 L HN -0.222 nan 8.230 nan 0.000 0.429 391 R N 3.681 123.846 120.500 -0.560 0.000 4.138 391 R HA 0.095 4.434 4.340 -0.001 0.000 0.206 391 R C 0.569 176.982 176.300 0.188 0.000 1.667 391 R CA -0.101 55.979 56.100 -0.034 0.000 1.481 391 R CB -0.355 29.992 30.300 0.078 0.000 1.388 391 R HN 0.566 nan 8.270 nan 0.000 0.776 392 F N -0.554 119.553 119.950 0.261 0.000 2.333 392 F HA -0.182 4.345 4.527 -0.001 0.000 0.300 392 F C 1.609 177.579 175.800 0.284 0.000 1.083 392 F CA 1.073 59.289 58.000 0.359 0.000 1.395 392 F CB -0.335 38.806 39.000 0.235 0.000 1.056 392 F HN 0.387 nan 8.300 nan 0.000 0.529 393 Y N -0.057 120.449 120.300 0.343 0.000 2.680 393 Y HA -0.104 4.446 4.550 0.000 0.000 0.303 393 Y C 0.946 176.966 175.900 0.201 0.000 1.166 393 Y CA -0.161 58.081 58.100 0.237 0.000 1.344 393 Y CB -0.349 38.198 38.460 0.144 0.000 1.002 393 Y HN -0.076 nan 8.280 nan 0.000 0.537 397 F N 1.852 121.306 119.950 -0.828 0.000 2.797 397 F HA 0.344 4.870 4.527 -0.001 0.000 0.302 397 F C 2.176 177.352 175.800 -1.040 0.000 1.130 397 F CA 0.991 58.329 58.000 -1.104 0.000 1.387 397 F CB 0.791 38.783 39.000 -1.681 0.000 1.107 397 F HN 0.635 nan 8.300 nan 0.000 0.577 398 G N -1.764 106.629 108.800 -0.679 0.000 2.367 398 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.181 398 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.181 398 G C 0.613 175.382 174.900 -0.218 0.000 1.000 398 G CA -0.169 44.676 45.100 -0.425 0.000 0.693 398 G HN 0.246 nan 8.290 nan 0.000 0.480 399 W N 1.577 122.848 121.300 -0.048 0.000 3.220 399 W HA 0.571 5.230 4.660 -0.002 0.000 0.328 399 W C 1.191 177.753 176.519 0.071 0.000 1.205 399 W CA 0.072 57.413 57.345 -0.007 0.000 1.773 399 W CB -0.414 29.015 29.460 -0.053 0.000 1.086 399 W HN 1.246 nan 8.180 nan 0.000 0.622 400 G N 1.328 110.243 108.800 0.192 0.000 2.541 400 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.686 400 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.686 400 G C -0.587 174.519 174.900 0.343 0.000 1.286 400 G CA -1.151 44.084 45.100 0.225 0.000 0.894 400 G HN -0.036 nan 8.290 nan 0.000 0.575 401 K N 0.864 121.445 120.400 0.302 0.000 2.168 401 K HA 0.446 4.766 4.320 -0.001 0.000 0.258 401 K C -2.161 174.676 176.600 0.394 0.000 1.010 401 K CA -1.120 55.376 56.287 0.348 0.000 0.929 401 K CB 0.492 33.134 32.500 0.238 0.000 0.998 401 K HN 0.284 nan 8.250 nan 0.000 0.479 402 P HA -0.015 nan 4.420 nan 0.000 0.268 402 P C -0.153 177.244 177.300 0.161 0.000 1.205 402 P CA -0.018 63.022 63.100 -0.102 0.000 0.771 402 P CB 0.845 32.487 31.700 -0.097 0.000 0.858 403 K N 2.723 123.181 120.400 0.097 0.000 2.057 403 K HA -0.055 4.264 4.320 -0.001 0.000 0.206 403 K C 0.333 177.065 176.600 0.220 0.000 1.050 403 K CA 1.762 58.130 56.287 0.136 0.000 0.935 403 K CB -0.042 32.505 32.500 0.079 0.000 0.715 403 K HN 0.184 nan 8.250 nan 0.000 0.439 404 K N -0.366 120.174 120.400 0.233 0.000 2.542 404 K HA 0.409 4.728 4.320 -0.001 0.000 0.259 404 K C -1.777 174.884 176.600 0.101 0.000 0.932 404 K CA -0.463 55.981 56.287 0.261 0.000 0.820 404 K CB 1.185 33.757 32.500 0.121 0.000 1.345 404 K HN 0.053 nan 8.250 nan 0.000 0.432 405 L N 3.001 124.144 121.223 -0.135 0.000 2.325 405 L HA 0.628 4.967 4.340 -0.001 0.000 0.278 405 L C -0.321 176.441 176.870 -0.180 0.000 1.023 405 L CA -0.944 53.663 54.840 -0.388 0.000 0.811 405 L CB 1.798 43.392 42.059 -0.774 0.000 1.249 405 L HN 0.537 nan 8.230 nan 0.000 0.431 406 E N 1.304 121.384 120.200 -0.201 0.000 2.292 406 E HA 0.327 4.677 4.350 -0.001 0.000 0.272 406 E C -1.134 175.335 176.600 -0.220 0.000 0.881 406 E CA -0.555 55.739 56.400 -0.176 0.000 0.754 406 E CB 2.534 32.149 29.700 -0.142 0.000 1.201 406 E HN 0.391 nan 8.360 nan 0.000 0.425 407 T N 1.969 116.409 114.554 -0.190 0.000 2.891 407 T HA 0.152 4.502 4.350 -0.001 0.000 0.315 407 T C 1.440 176.075 174.700 -0.108 0.000 1.054 407 T CA -0.267 61.743 62.100 -0.151 0.000 0.958 407 T CB 0.495 69.285 68.868 -0.129 0.000 1.008 407 T HN 0.148 nan 8.240 nan 0.000 0.521 408 V N 2.774 122.643 119.914 -0.076 0.000 2.515 408 V HA -0.132 3.987 4.120 -0.001 0.000 0.250 408 V C 2.515 178.605 176.094 -0.007 0.000 1.058 408 V CA 1.898 64.188 62.300 -0.017 0.000 1.064 408 V CB -0.580 31.293 31.823 0.083 0.000 0.675 408 V HN 0.923 nan 8.190 nan 0.000 0.461 409 S N 1.201 116.893 115.700 -0.014 0.000 2.555 409 S HA -0.049 4.420 4.470 -0.001 0.000 0.230 409 S C 1.831 176.463 174.600 0.054 0.000 0.978 409 S CA 1.089 59.299 58.200 0.016 0.000 0.934 409 S CB -0.850 62.404 63.200 0.089 0.000 0.766 409 S HN 0.786 nan 8.310 nan 0.000 0.533 410 I N -0.487 120.098 120.570 0.026 0.000 2.916 410 I HA -0.063 4.106 4.170 -0.001 0.000 0.267 410 I C 0.891 177.032 176.117 0.040 0.000 1.263 410 I CA 1.125 62.453 61.300 0.045 0.000 1.471 410 I CB -0.497 37.516 38.000 0.021 0.000 1.089 410 I HN -0.081 nan 8.210 nan 0.000 0.468 411 D N 0.876 121.280 120.400 0.006 0.000 2.264 411 D HA -0.147 4.492 4.640 -0.001 0.000 0.208 411 D C 1.907 178.212 176.300 0.008 0.000 0.966 411 D CA 1.335 55.341 54.000 0.010 0.000 0.864 411 D CB -0.443 40.391 40.800 0.056 0.000 0.933 411 D HN 0.607 nan 8.370 nan 0.000 0.499 412 H N -0.320 118.759 119.070 0.015 0.000 2.423 412 H HA -0.032 4.523 4.556 -0.001 0.000 0.297 412 H C 0.403 175.736 175.328 0.009 0.000 1.075 412 H CA 1.079 57.124 56.048 -0.005 0.000 1.342 412 H CB 0.288 30.041 29.762 -0.015 0.000 1.395 412 H HN 0.232 nan 8.280 nan 0.000 0.530 413 N N -2.142 116.652 118.700 0.157 0.000 3.378 413 N HA 0.121 4.860 4.740 -0.001 0.000 0.294 413 N C -0.340 175.224 175.510 0.090 0.000 1.544 413 N CA -0.377 52.735 53.050 0.103 0.000 0.872 413 N CB 0.212 38.750 38.487 0.085 0.000 1.670 413 N HN 0.016 nan 8.380 nan 0.000 0.551 414 G N -1.038 107.811 108.800 0.083 0.000 2.690 414 G HA2 0.533 4.492 3.960 -0.001 0.000 0.294 414 G HA3 0.533 4.492 3.960 -0.001 0.000 0.294 414 G C -0.531 174.431 174.900 0.104 0.000 0.793 414 G CA 0.395 45.546 45.100 0.086 0.000 1.818 414 G HN 0.806 nan 8.290 nan 0.000 0.515 415 A N 2.447 125.319 122.820 0.087 0.000 2.574 415 A HA 0.786 5.106 4.320 -0.001 0.000 0.297 415 A C -0.538 177.077 177.584 0.053 0.000 1.062 415 A CA -0.776 51.317 52.037 0.093 0.000 0.686 415 A CB 1.308 20.385 19.000 0.128 0.000 1.285 415 A HN 1.211 nan 8.150 nan 0.000 0.403 416 I N -0.890 119.706 120.570 0.043 0.000 2.934 416 I HA 0.876 5.045 4.170 -0.001 0.000 0.306 416 I C -0.148 176.000 176.117 0.053 0.000 1.110 416 I CA -0.752 60.576 61.300 0.046 0.000 1.019 416 I CB 2.511 40.559 38.000 0.080 0.000 1.227 416 I HN 0.636 nan 8.210 nan 0.000 0.434 417 S N 4.232 119.962 115.700 0.049 0.000 2.509 417 S HA 0.792 5.261 4.470 -0.001 0.000 0.297 417 S C -0.677 173.975 174.600 0.088 0.000 1.118 417 S CA -0.634 57.596 58.200 0.050 0.000 1.074 417 S CB 1.367 64.567 63.200 -0.000 0.000 1.038 417 S HN 0.606 nan 8.310 nan 0.000 0.498 418 I N 2.828 123.469 120.570 0.119 0.000 2.468 418 I HA 0.462 4.631 4.170 -0.001 0.000 0.285 418 I C -0.721 175.501 176.117 0.175 0.000 1.039 418 I CA -0.567 60.830 61.300 0.162 0.000 1.074 418 I CB 1.621 39.740 38.000 0.199 0.000 1.228 418 I HN 0.668 nan 8.210 nan 0.000 0.436 419 N N 2.964 121.762 118.700 0.164 0.000 2.525 419 N HA 0.410 5.150 4.740 -0.001 0.000 0.270 419 N C -0.735 174.891 175.510 0.193 0.000 1.321 419 N CA -0.542 52.615 53.050 0.179 0.000 0.797 419 N CB 2.408 40.993 38.487 0.162 0.000 1.529 419 N HN 0.583 nan 8.380 nan 0.000 0.491 420 S N -0.481 115.338 115.700 0.199 0.000 2.608 420 S HA 0.402 4.871 4.470 -0.001 0.000 0.261 420 S C 0.589 175.297 174.600 0.180 0.000 1.314 420 S CA -0.435 57.862 58.200 0.162 0.000 0.992 420 S CB 0.380 63.656 63.200 0.127 0.000 0.935 420 S HN 0.559 nan 8.310 nan 0.000 0.564 421 C N 0.764 120.077 119.300 0.022 0.000 2.464 421 C HA 0.593 5.052 4.460 -0.001 0.000 0.398 421 C C 1.978 176.768 174.990 -0.334 0.000 1.451 421 C CA -0.634 58.248 59.018 -0.227 0.000 1.986 421 C CB 0.916 28.551 27.740 -0.174 0.000 2.004 421 C HN 1.137 nan 8.230 nan 0.000 0.530 422 K N 0.494 120.544 120.400 -0.584 0.000 2.262 422 K HA -0.016 4.303 4.320 -0.001 0.000 0.200 422 K C 1.672 178.183 176.600 -0.148 0.000 1.058 422 K CA 1.001 57.074 56.287 -0.356 0.000 0.974 422 K CB -0.259 31.936 32.500 -0.507 0.000 0.910 422 K HN 0.735 nan 8.250 nan 0.000 0.484 423 E N 1.094 121.202 120.200 -0.154 0.000 2.274 423 E HA -0.036 4.313 4.350 -0.001 0.000 0.194 423 E C -0.002 176.566 176.600 -0.054 0.000 0.996 423 E CA 0.458 56.811 56.400 -0.078 0.000 0.840 423 E CB 0.059 29.716 29.700 -0.072 0.000 0.772 423 E HN 0.094 nan 8.360 nan 0.000 0.491 424 S N -0.002 115.659 115.700 -0.065 0.000 2.614 424 S HA 0.215 4.684 4.470 -0.001 0.000 0.275 424 S C -0.077 174.510 174.600 -0.021 0.000 1.161 424 S CA -0.587 57.594 58.200 -0.033 0.000 0.969 424 S CB 0.915 64.100 63.200 -0.025 0.000 1.059 424 S HN 0.225 nan 8.310 nan 0.000 0.482 425 N N 2.896 121.597 118.700 0.001 0.000 2.515 425 N HA 0.027 4.767 4.740 -0.001 0.000 0.185 425 N C 0.697 176.222 175.510 0.026 0.000 1.109 425 N CA 0.559 53.622 53.050 0.021 0.000 0.903 425 N CB 0.196 38.698 38.487 0.025 0.000 0.969 425 N HN 0.707 nan 8.380 nan 0.000 0.450 426 E N -0.116 120.095 120.200 0.018 0.000 2.472 426 E HA 0.018 4.367 4.350 -0.001 0.000 0.196 426 E C -0.607 176.009 176.600 0.028 0.000 1.033 426 E CA 0.047 56.461 56.400 0.023 0.000 0.886 426 E CB 0.370 30.079 29.700 0.015 0.000 0.944 426 E HN 0.344 nan 8.360 nan 0.000 0.492 427 D N 0.535 120.948 120.400 0.021 0.000 2.253 427 D HA 0.321 4.960 4.640 -0.001 0.000 0.249 427 D C -0.237 176.093 176.300 0.049 0.000 1.049 427 D CA -0.104 53.911 54.000 0.025 0.000 0.929 427 D CB 1.438 42.238 40.800 0.002 0.000 1.176 427 D HN -0.080 nan 8.370 nan 0.000 0.437 428 L N 1.049 122.315 121.223 0.071 0.000 2.346 428 L HA 0.406 4.745 4.340 -0.001 0.000 0.276 428 L C 0.250 177.184 176.870 0.106 0.000 1.006 428 L CA -0.719 54.183 54.840 0.103 0.000 0.817 428 L CB 1.674 43.806 42.059 0.123 0.000 1.272 428 L HN 0.138 nan 8.230 nan 0.000 0.421 429 E N 3.598 123.866 120.200 0.114 0.000 2.145 429 E HA 0.513 4.862 4.350 -0.001 0.000 0.270 429 E C -1.109 175.562 176.600 0.118 0.000 0.906 429 E CA -0.465 55.995 56.400 0.100 0.000 0.761 429 E CB 2.336 32.102 29.700 0.111 0.000 1.116 429 E HN 0.406 nan 8.360 nan 0.000 0.408 430 I N 2.356 123.002 120.570 0.126 0.000 2.355 430 I HA 0.323 4.492 4.170 -0.001 0.000 0.288 430 I C 0.462 176.660 176.117 0.135 0.000 0.999 430 I CA -0.641 60.753 61.300 0.157 0.000 1.163 430 I CB 1.777 39.915 38.000 0.229 0.000 1.316 430 I HN 0.469 nan 8.210 nan 0.000 0.454 431 G N 5.773 114.618 108.800 0.075 0.000 2.332 431 G HA2 0.601 4.560 3.960 -0.001 0.000 0.310 431 G HA3 0.601 4.560 3.960 -0.001 0.000 0.310 431 G C -0.782 174.135 174.900 0.029 0.000 1.123 431 G CA -0.269 44.837 45.100 0.011 0.000 0.873 431 G HN 0.350 nan 8.290 nan 0.000 0.460 432 V N 1.272 121.194 119.914 0.014 0.000 2.709 432 V HA 0.504 4.623 4.120 -0.001 0.000 0.308 432 V C -0.542 175.511 176.094 -0.067 0.000 1.062 432 V CA -0.941 61.342 62.300 -0.029 0.000 0.901 432 V CB 1.885 33.664 31.823 -0.073 0.000 1.003 432 V HN 0.913 nan 8.190 nan 0.000 0.425 433 c N 7.945 126.504 118.600 -0.069 0.000 2.356 433 c HA 0.843 5.412 4.570 -0.001 0.000 0.324 433 c C -0.420 173.644 174.090 -0.044 0.000 1.167 433 c CA -0.422 55.873 56.329 -0.056 0.000 1.420 433 c CB -1.180 41.306 42.510 -0.040 0.000 2.036 433 c HN 0.851 nan 8.230 nan 0.000 0.435 434 I N 3.523 124.066 120.570 -0.046 0.000 3.074 434 I HA 0.707 4.876 4.170 -0.001 0.000 0.310 434 I C 0.170 176.289 176.117 0.003 0.000 1.153 434 I CA -0.441 60.840 61.300 -0.030 0.000 0.993 434 I CB 1.966 39.919 38.000 -0.078 0.000 1.237 434 I HN 0.580 nan 8.210 nan 0.000 0.443 435 S N 2.214 117.926 115.700 0.021 0.000 2.563 435 S HA 0.225 4.694 4.470 -0.001 0.000 0.284 435 S C 1.271 175.895 174.600 0.039 0.000 1.331 435 S CA -0.004 58.215 58.200 0.033 0.000 1.047 435 S CB 1.283 64.507 63.200 0.039 0.000 0.859 435 S HN 1.069 nan 8.310 nan 0.000 0.514 436 A N 2.682 125.524 122.820 0.038 0.000 1.948 436 A HA -0.127 4.193 4.320 -0.001 0.000 0.220 436 A C 2.545 180.161 177.584 0.054 0.000 1.177 436 A CA 2.356 54.418 52.037 0.042 0.000 0.636 436 A CB -2.086 16.935 19.000 0.034 0.000 0.815 436 A HN 1.304 nan 8.150 nan 0.000 0.449 437 T N -2.726 111.860 114.554 0.053 0.000 2.759 437 T HA -0.107 4.242 4.350 -0.001 0.000 0.269 437 T C 1.180 175.928 174.700 0.081 0.000 1.042 437 T CA 1.287 63.424 62.100 0.061 0.000 1.140 437 T CB -0.303 68.597 68.868 0.054 0.000 0.864 437 T HN 0.438 nan 8.240 nan 0.000 0.455 441 D N 0.801 121.323 120.400 0.204 0.000 2.144 441 D HA -0.083 4.556 4.640 -0.001 0.000 0.200 441 D C 1.593 178.021 176.300 0.213 0.000 0.978 441 D CA 0.983 55.126 54.000 0.238 0.000 0.833 441 D CB -0.230 40.677 40.800 0.179 0.000 0.961 441 D HN 0.154 nan 8.370 nan 0.000 0.470 442 F N 1.502 121.508 119.950 0.094 0.000 2.095 442 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 442 F C 2.282 178.131 175.800 0.083 0.000 1.104 442 F CA 1.063 59.099 58.000 0.060 0.000 1.232 442 F CB -0.176 38.849 39.000 0.042 0.000 0.987 442 F HN -0.225 nan 8.300 nan 0.000 0.475 443 V N 0.044 120.161 119.914 0.339 0.000 2.287 443 V HA -0.362 3.757 4.120 -0.001 0.000 0.248 443 V C 2.491 178.693 176.094 0.181 0.000 1.053 443 V CA 2.283 64.787 62.300 0.339 0.000 1.027 443 V CB -0.952 31.003 31.823 0.220 0.000 0.646 443 V HN 0.397 nan 8.190 nan 0.000 0.447 444 H N -0.407 118.750 119.070 0.145 0.000 2.319 444 H HA -0.111 4.444 4.556 -0.002 0.000 0.299 444 H C 2.379 177.718 175.328 0.017 0.000 1.092 444 H CA 2.117 58.212 56.048 0.080 0.000 1.302 444 H CB -0.357 29.436 29.762 0.052 0.000 1.373 444 H HN 0.364 nan 8.280 nan 0.000 0.497 445 I N -0.098 120.511 120.570 0.065 0.000 2.127 445 I HA -0.303 3.867 4.170 -0.001 0.000 0.241 445 I C 2.488 178.515 176.117 -0.151 0.000 1.075 445 I CA 1.324 62.557 61.300 -0.112 0.000 1.334 445 I CB -0.399 37.441 38.000 -0.266 0.000 1.040 445 I HN 0.046 nan 8.210 nan 0.000 0.405 446 F N 1.934 121.673 119.950 -0.351 0.000 2.046 446 F HA -0.296 4.230 4.527 -0.002 0.000 0.297 446 F C 2.245 178.075 175.800 0.051 0.000 1.123 446 F CA 2.038 59.913 58.000 -0.208 0.000 1.199 446 F CB -0.248 38.530 39.000 -0.371 0.000 0.972 446 F HN 0.082 nan 8.300 nan 0.000 0.474 447 D N 0.242 120.827 120.400 0.307 0.000 2.097 447 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 447 D C 1.868 178.208 176.300 0.068 0.000 0.984 447 D CA 1.608 55.743 54.000 0.224 0.000 0.826 447 D CB -0.658 40.300 40.800 0.262 0.000 0.973 447 D HN 0.327 nan 8.370 nan 0.000 0.460 448 D N 0.030 120.471 120.400 0.069 0.000 2.178 448 D HA -0.065 4.574 4.640 -0.001 0.000 0.202 448 D C 2.150 178.434 176.300 -0.026 0.000 0.974 448 D CA 1.168 55.182 54.000 0.023 0.000 0.841 448 D CB -0.653 40.164 40.800 0.028 0.000 0.953 448 D HN 0.270 nan 8.370 nan 0.000 0.478 449 G N 0.313 109.088 108.800 -0.041 0.000 2.448 449 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.219 449 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.219 449 G C 0.968 175.825 174.900 -0.072 0.000 1.127 449 G CA 0.247 45.328 45.100 -0.032 0.000 0.766 449 G HN 0.188 nan 8.290 nan 0.000 0.552 450 L N 0.000 121.123 121.223 -0.167 0.000 2.949 450 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 450 L CA 0.000 54.672 54.840 -0.280 0.000 0.813 450 L CB 0.000 41.840 42.059 -0.365 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502