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 3hdq_1_J DATA FIRST_RESID 29 DATA SEQUENCE GFDYLIVGAG FAGSVLAERL ASSGQRVLIV DRRPHIGGNA YDCYDDAGVL DATA SEQUENCE IHPYGPHIFH TNSKDVFEYL SRFTEWRPYQ HRVLASVDGQ LLPIPINLDT DATA SEQUENCE VNRLYGLNLT SFQVEEFFAS VAEKVEQVRT SEDVVVSKVG RDLYNKFFRG DATA SEQUENCE YTRKQWGLDP SELDASVTAR VPTRTNRDNR YFADTYQAMP LHGYTRMFQN DATA SEQUENCE MLSSPNIKVM LNTDYREIAD FIPFQHMIYT GPVDAFFDFC YGKLPYRSLE DATA SEQUENCE FRHETHDTEQ LLPTGTVNYP NDYAYTRVSE FKHITGQRHH QTSVVYEYPR DATA SEQUENCE AEGDPYYPVP RPENAELYKK YEALADAAQD VTFVGRLATY RYYNMDQVVA DATA SEQUENCE QALATFRRLQ G 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 29 G C 0.000 174.678 174.900 -0.369 0.000 0.946 29 G CA 0.000 44.996 45.100 -0.174 0.000 0.502 30 F N 0.906 120.924 119.950 0.114 0.000 2.561 30 F HA 0.487 5.014 4.527 0.000 0.000 0.321 30 F C 0.810 176.676 175.800 0.110 0.000 1.065 30 F CA -0.817 57.255 58.000 0.119 0.000 0.934 30 F CB 2.069 41.151 39.000 0.137 0.000 1.215 30 F HN 0.297 nan 8.300 nan 0.000 0.471 31 D N 0.296 120.869 120.400 0.288 0.000 2.178 31 D HA -0.128 4.512 4.640 0.000 0.000 0.202 31 D C -0.422 175.846 176.300 -0.053 0.000 0.974 31 D CA 1.871 55.936 54.000 0.108 0.000 0.841 31 D CB 0.067 40.971 40.800 0.175 0.000 0.953 31 D HN 0.318 nan 8.370 nan 0.000 0.478 32 Y N -0.373 120.088 120.300 0.268 0.000 2.406 32 Y HA 0.349 4.899 4.550 0.000 0.000 0.340 32 Y C -0.603 175.322 175.900 0.041 0.000 0.975 32 Y CA -1.134 57.078 58.100 0.187 0.000 1.056 32 Y CB 1.989 40.536 38.460 0.144 0.000 1.210 32 Y HN -0.259 nan 8.280 nan 0.000 0.448 33 L N 5.569 126.822 121.223 0.051 0.000 2.262 33 L HA 0.598 4.938 4.340 0.000 0.000 0.288 33 L C -1.146 175.599 176.870 -0.209 0.000 1.035 33 L CA -0.447 54.233 54.840 -0.268 0.000 0.820 33 L CB 0.152 41.727 42.059 -0.806 0.000 1.204 33 L HN 0.499 nan 8.230 nan 0.000 0.424 34 I N 5.978 126.440 120.570 -0.181 0.000 2.339 34 I HA 0.313 4.483 4.170 0.000 0.000 0.290 34 I C -0.547 175.442 176.117 -0.214 0.000 0.994 34 I CA -0.910 60.292 61.300 -0.165 0.000 1.191 34 I CB 1.706 39.636 38.000 -0.117 0.000 1.343 34 I HN 0.225 nan 8.210 nan 0.000 0.458 35 V N 5.684 125.448 119.914 -0.251 0.000 2.304 35 V HA 0.715 4.835 4.120 0.000 0.000 0.269 35 V C 0.502 176.418 176.094 -0.296 0.000 1.036 35 V CA -0.354 61.784 62.300 -0.269 0.000 0.840 35 V CB 0.326 31.938 31.823 -0.351 0.000 1.036 35 V HN 1.085 nan 8.190 nan 0.000 0.466 36 G N 4.034 112.694 108.800 -0.233 0.000 3.069 36 G HA2 0.302 4.263 3.960 0.000 0.000 0.686 36 G HA3 0.302 4.263 3.960 0.000 0.000 0.686 36 G C -0.123 174.650 174.900 -0.210 0.000 1.161 36 G CA -0.263 44.695 45.100 -0.237 0.000 0.804 36 G HN 1.327 nan 8.290 nan 0.000 0.608 37 A N 1.484 124.163 122.820 -0.235 0.000 2.610 37 A HA 0.759 5.079 4.320 0.000 0.000 0.286 37 A C 1.542 178.930 177.584 -0.325 0.000 1.306 37 A CA 1.245 53.136 52.037 -0.243 0.000 0.942 37 A CB -0.221 18.624 19.000 -0.258 0.000 1.112 37 A HN 2.139 nan 8.150 nan 0.000 0.527 38 G N -1.093 107.555 108.800 -0.254 0.000 2.486 38 G HA2 0.328 4.288 3.960 0.000 0.000 0.272 38 G HA3 0.328 4.288 3.960 0.000 0.000 0.272 38 G C 0.634 175.546 174.900 0.021 0.000 1.426 38 G CA -0.301 44.660 45.100 -0.232 0.000 1.058 38 G HN 0.189 nan 8.290 nan 0.000 0.531 39 F N 0.727 120.814 119.950 0.228 0.000 2.102 39 F HA -0.064 4.463 4.527 0.000 0.000 0.298 39 F C 3.076 178.961 175.800 0.142 0.000 1.105 39 F CA 1.704 59.881 58.000 0.295 0.000 1.239 39 F CB -0.237 38.907 39.000 0.240 0.000 0.991 39 F HN 0.345 nan 8.300 nan 0.000 0.474 40 A N 0.359 123.340 122.820 0.269 0.000 1.859 40 A HA -0.177 4.143 4.320 0.000 0.000 0.217 40 A C 2.524 180.146 177.584 0.064 0.000 1.198 40 A CA 2.147 54.268 52.037 0.139 0.000 0.629 40 A CB -1.671 17.376 19.000 0.079 0.000 0.830 40 A HN 0.418 nan 8.150 nan 0.000 0.446 41 G N -1.175 107.627 108.800 0.005 0.000 2.421 41 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 41 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 41 G C 1.833 176.716 174.900 -0.028 0.000 1.171 41 G CA 1.351 46.422 45.100 -0.049 0.000 0.775 41 G HN 0.508 nan 8.290 nan 0.000 0.543 42 S N 0.023 115.734 115.700 0.019 0.000 2.383 42 S HA -0.080 4.391 4.470 0.000 0.000 0.227 42 S C 2.482 177.081 174.600 -0.002 0.000 1.026 42 S CA 1.029 59.243 58.200 0.023 0.000 0.981 42 S CB -0.177 63.120 63.200 0.163 0.000 0.818 42 S HN 0.174 nan 8.310 nan 0.000 0.472 43 V N 1.948 121.901 119.914 0.064 0.000 2.343 43 V HA -0.134 3.987 4.120 0.000 0.000 0.247 43 V C 2.171 178.234 176.094 -0.051 0.000 1.051 43 V CA 1.490 63.827 62.300 0.062 0.000 1.036 43 V CB -0.641 31.245 31.823 0.104 0.000 0.654 43 V HN 0.387 nan 8.190 nan 0.000 0.451 44 L N -0.021 121.170 121.223 -0.054 0.000 2.093 44 L HA -0.117 4.223 4.340 0.000 0.000 0.208 44 L C 2.683 179.466 176.870 -0.145 0.000 1.085 44 L CA 1.465 56.242 54.840 -0.104 0.000 0.755 44 L CB -0.706 41.318 42.059 -0.059 0.000 0.904 44 L HN 0.339 nan 8.230 nan 0.000 0.435 45 A N -0.588 122.168 122.820 -0.106 0.000 1.940 45 A HA -0.249 4.071 4.320 0.000 0.000 0.219 45 A C 2.339 179.863 177.584 -0.101 0.000 1.176 45 A CA 1.877 53.856 52.037 -0.096 0.000 0.631 45 A CB -0.446 18.506 19.000 -0.079 0.000 0.814 45 A HN 0.418 nan 8.150 nan 0.000 0.446 46 E N -0.111 120.020 120.200 -0.114 0.000 2.072 46 E HA -0.159 4.191 4.350 0.000 0.000 0.190 46 E C 2.174 178.697 176.600 -0.130 0.000 0.982 46 E CA 0.691 57.030 56.400 -0.101 0.000 0.803 46 E CB -0.196 29.435 29.700 -0.116 0.000 0.755 46 E HN 0.442 nan 8.360 nan 0.000 0.453 47 R N 0.350 120.671 120.500 -0.298 0.000 2.061 47 R HA -0.059 4.281 4.340 0.000 0.000 0.230 47 R C 2.440 178.431 176.300 -0.515 0.000 1.140 47 R CA 0.499 56.157 56.100 -0.736 0.000 0.940 47 R CB -1.051 28.300 30.300 -1.581 0.000 0.839 47 R HN 0.233 nan 8.270 nan 0.000 0.429 48 L N 0.899 121.961 121.223 -0.268 0.000 2.081 48 L HA -0.136 4.204 4.340 0.000 0.000 0.212 48 L C 2.379 179.280 176.870 0.052 0.000 1.080 48 L CA 1.942 56.784 54.840 0.004 0.000 0.754 48 L CB -1.517 40.431 42.059 -0.184 0.000 0.893 48 L HN 0.178 nan 8.230 nan 0.000 0.433 49 A N -0.711 122.110 122.820 0.001 0.000 1.930 49 A HA -0.117 4.204 4.320 0.000 0.000 0.215 49 A C 2.386 180.003 177.584 0.055 0.000 1.176 49 A CA 1.401 53.465 52.037 0.045 0.000 0.632 49 A CB -0.494 18.521 19.000 0.025 0.000 0.819 49 A HN 0.537 nan 8.150 nan 0.000 0.445 50 S N 0.289 116.007 115.700 0.031 0.000 2.515 50 S HA -0.061 4.409 4.470 0.000 0.000 0.231 50 S C 1.539 176.192 174.600 0.089 0.000 0.987 50 S CA 1.146 59.377 58.200 0.053 0.000 0.936 50 S CB -0.560 62.666 63.200 0.043 0.000 0.766 50 S HN 0.805 nan 8.310 nan 0.000 0.528 51 S N 0.034 115.809 115.700 0.126 0.000 2.597 51 S HA 0.529 4.999 4.470 0.000 0.000 0.224 51 S C 1.348 176.032 174.600 0.140 0.000 0.955 51 S CA 0.125 58.426 58.200 0.168 0.000 0.933 51 S CB -0.413 62.956 63.200 0.281 0.000 0.788 51 S HN 1.369 nan 8.310 nan 0.000 0.488 52 G N 0.911 109.781 108.800 0.117 0.000 2.143 52 G HA2 -0.205 3.755 3.960 0.000 0.000 0.249 52 G HA3 -0.205 3.755 3.960 0.000 0.000 0.249 52 G C -0.162 174.816 174.900 0.130 0.000 0.981 52 G CA -0.187 44.977 45.100 0.107 0.000 0.665 52 G HN 0.532 nan 8.290 nan 0.000 0.528 53 Q N -0.159 119.740 119.800 0.166 0.000 2.299 53 Q HA 0.448 4.788 4.340 0.000 0.000 0.246 53 Q C 0.617 176.746 176.000 0.215 0.000 0.935 53 Q CA -0.217 55.720 55.803 0.223 0.000 0.887 53 Q CB 0.863 29.797 28.738 0.326 0.000 1.223 53 Q HN 0.502 nan 8.270 nan 0.000 0.439 54 R N 0.668 121.316 120.500 0.247 0.000 2.202 54 R HA 0.404 4.744 4.340 0.000 0.000 0.334 54 R C -0.617 175.945 176.300 0.436 0.000 1.036 54 R CA -0.277 55.999 56.100 0.293 0.000 0.878 54 R CB 0.717 31.145 30.300 0.213 0.000 1.067 54 R HN 0.220 nan 8.270 nan 0.000 0.457 55 V N 5.036 125.159 119.914 0.348 0.000 2.495 55 V HA 0.310 4.430 4.120 0.000 0.000 0.298 55 V C -0.816 175.247 176.094 -0.053 0.000 1.031 55 V CA -0.918 61.498 62.300 0.194 0.000 0.871 55 V CB 1.850 33.730 31.823 0.096 0.000 0.988 55 V HN 0.472 nan 8.190 nan 0.000 0.432 56 L N 6.656 127.621 121.223 -0.429 0.000 2.298 56 L HA 0.641 4.981 4.340 0.000 0.000 0.284 56 L C -0.666 175.988 176.870 -0.362 0.000 1.013 56 L CA 0.123 54.543 54.840 -0.700 0.000 0.824 56 L CB 1.076 42.283 42.059 -1.421 0.000 1.221 56 L HN 0.654 nan 8.230 nan 0.000 0.418 57 I N 6.450 126.872 120.570 -0.247 0.000 2.377 57 I HA 0.629 4.799 4.170 0.000 0.000 0.293 57 I C -0.817 175.189 176.117 -0.185 0.000 0.987 57 I CA -0.696 60.489 61.300 -0.191 0.000 1.185 57 I CB 1.483 39.398 38.000 -0.143 0.000 1.341 57 I HN 0.575 nan 8.210 nan 0.000 0.455 58 V N 3.857 123.663 119.914 -0.179 0.000 2.914 58 V HA 0.737 4.857 4.120 0.000 0.000 0.314 58 V C -1.161 174.843 176.094 -0.150 0.000 1.084 58 V CA -0.526 61.684 62.300 -0.150 0.000 0.963 58 V CB 1.965 33.714 31.823 -0.125 0.000 1.025 58 V HN 0.735 nan 8.190 nan 0.000 0.432 59 D N 1.424 121.734 120.400 -0.149 0.000 2.859 59 D HA 0.327 4.967 4.640 0.000 0.000 0.223 59 D C 0.774 176.982 176.300 -0.153 0.000 1.218 59 D CA -0.509 53.387 54.000 -0.174 0.000 0.850 59 D CB 2.812 43.463 40.800 -0.249 0.000 1.656 59 D HN 0.825 nan 8.370 nan 0.000 0.484 60 R N 2.210 122.630 120.500 -0.133 0.000 2.235 60 R HA 0.092 4.432 4.340 0.000 0.000 0.213 60 R C 0.288 176.499 176.300 -0.148 0.000 1.059 60 R CA 0.185 56.222 56.100 -0.106 0.000 0.997 60 R CB 0.247 30.507 30.300 -0.067 0.000 0.884 60 R HN 0.174 nan 8.270 nan 0.000 0.462 61 R N 1.361 121.715 120.500 -0.243 0.000 2.615 61 R HA 0.128 4.468 4.340 0.000 0.000 0.270 61 R C -1.840 174.254 176.300 -0.342 0.000 1.081 61 R CA -1.710 54.180 56.100 -0.349 0.000 1.154 61 R CB 0.387 30.291 30.300 -0.661 0.000 1.063 61 R HN 0.038 nan 8.270 nan 0.000 0.519 62 P HA 0.031 nan 4.420 nan 0.000 0.253 62 P C -1.184 176.000 177.300 -0.195 0.000 1.260 62 P CA 0.555 63.548 63.100 -0.178 0.000 0.800 62 P CB 0.036 31.692 31.700 -0.073 0.000 1.162 63 H N -1.727 117.159 119.070 -0.307 0.000 3.016 63 H HA 0.554 5.110 4.556 0.000 0.000 0.362 63 H C -0.008 175.083 175.328 -0.395 0.000 1.233 63 H CA -1.533 54.257 56.048 -0.429 0.000 1.124 63 H CB 0.374 29.552 29.762 -0.972 0.000 1.850 63 H HN -0.182 nan 8.280 nan 0.000 0.549 64 I N -1.315 119.172 120.570 -0.139 0.000 3.156 64 I HA 0.656 4.826 4.170 0.000 0.000 0.306 64 I C 1.065 177.000 176.117 -0.304 0.000 1.048 64 I CA -0.179 60.982 61.300 -0.232 0.000 1.207 64 I CB 0.851 38.740 38.000 -0.186 0.000 1.456 64 I HN 1.092 nan 8.210 nan 0.000 0.616 65 G N 0.845 109.171 108.800 -0.791 0.000 2.195 65 G HA2 0.028 3.988 3.960 0.000 0.000 0.224 65 G HA3 0.028 3.988 3.960 0.000 0.000 0.224 65 G C 0.882 175.265 174.900 -0.861 0.000 0.990 65 G CA 0.123 44.296 45.100 -1.546 0.000 0.639 65 G HN 2.150 nan 8.290 nan 0.000 0.514 66 G N 0.732 109.254 108.800 -0.464 0.000 2.574 66 G HA2 -0.315 3.645 3.960 0.000 0.000 0.286 66 G HA3 -0.315 3.645 3.960 0.000 0.000 0.286 66 G C 0.775 175.472 174.900 -0.338 0.000 1.212 66 G CA 0.851 45.751 45.100 -0.333 0.000 0.979 66 G HN 1.129 nan 8.290 nan 0.000 0.557 67 N N 1.274 119.783 118.700 -0.319 0.000 2.453 67 N HA 0.168 4.908 4.740 0.000 0.000 0.183 67 N C 1.972 177.194 175.510 -0.480 0.000 1.041 67 N CA 1.605 54.430 53.050 -0.375 0.000 0.900 67 N CB -0.274 38.200 38.487 -0.021 0.000 0.961 67 N HN 0.995 nan 8.380 nan 0.000 0.443 68 A N -0.533 121.992 122.820 -0.492 0.000 2.308 68 A HA 0.050 4.370 4.320 0.000 0.000 0.217 68 A C 0.231 177.533 177.584 -0.471 0.000 1.216 68 A CA -0.525 51.047 52.037 -0.776 0.000 0.864 68 A CB -0.438 18.318 19.000 -0.407 0.000 0.902 68 A HN 0.268 nan 8.150 nan 0.000 0.499 69 Y N 2.828 122.886 120.300 -0.403 0.000 2.810 69 Y HA 0.211 4.761 4.550 0.000 0.000 0.332 69 Y C 0.005 175.739 175.900 -0.276 0.000 1.243 69 Y CA 0.029 57.938 58.100 -0.318 0.000 1.537 69 Y CB 0.264 38.481 38.460 -0.405 0.000 1.265 69 Y HN 0.553 nan 8.280 nan 0.000 0.572 70 D N 4.340 124.288 120.400 -0.754 0.000 2.497 70 D HA 0.640 5.280 4.640 0.000 0.000 0.243 70 D C -0.934 174.762 176.300 -1.006 0.000 1.039 70 D CA -0.447 53.125 54.000 -0.713 0.000 1.052 70 D CB 1.198 41.823 40.800 -0.291 0.000 1.344 70 D HN 0.763 nan 8.370 nan 0.000 0.553 71 C N -2.857 116.025 119.300 -0.698 0.000 3.231 71 C HA 0.602 5.062 4.460 0.000 0.000 0.343 71 C C -1.568 173.154 174.990 -0.447 0.000 1.349 71 C CA -1.217 57.494 59.018 -0.512 0.000 1.209 71 C CB -0.296 27.183 27.740 -0.435 0.000 1.475 71 C HN 0.613 nan 8.230 nan 0.000 0.460 72 Y N 2.386 122.561 120.300 -0.209 0.000 2.336 72 Y HA 0.446 4.996 4.550 0.000 0.000 0.335 72 Y C 1.116 176.923 175.900 -0.155 0.000 1.046 72 Y CA 0.722 58.724 58.100 -0.164 0.000 1.198 72 Y CB 0.754 39.151 38.460 -0.104 0.000 1.182 72 Y HN 0.857 nan 8.280 nan 0.000 0.502 73 D N 0.270 120.633 120.400 -0.061 0.000 2.414 73 D HA -0.021 4.619 4.640 0.000 0.000 0.259 73 D C 0.342 176.633 176.300 -0.016 0.000 1.269 73 D CA -0.294 53.657 54.000 -0.081 0.000 1.028 73 D CB 0.508 41.227 40.800 -0.135 0.000 1.093 73 D HN 0.418 nan 8.370 nan 0.000 0.545 74 D N -0.941 119.444 120.400 -0.025 0.000 2.309 74 D HA -0.049 4.591 4.640 0.000 0.000 0.212 74 D C 1.456 177.769 176.300 0.021 0.000 0.968 74 D CA 1.471 55.471 54.000 -0.001 0.000 0.882 74 D CB -0.301 40.495 40.800 -0.006 0.000 0.918 74 D HN 0.522 nan 8.370 nan 0.000 0.503 75 A N -0.687 122.139 122.820 0.011 0.000 2.267 75 A HA 0.479 4.799 4.320 0.000 0.000 0.213 75 A C 1.707 179.361 177.584 0.116 0.000 1.192 75 A CA 0.807 52.870 52.037 0.043 0.000 0.851 75 A CB 0.151 19.137 19.000 -0.023 0.000 0.881 75 A HN 0.199 nan 8.150 nan 0.000 0.494 76 G N -1.119 107.739 108.800 0.096 0.000 2.130 76 G HA2 -0.154 3.807 3.960 0.000 0.000 0.216 76 G HA3 -0.154 3.807 3.960 0.000 0.000 0.216 76 G C 0.010 175.036 174.900 0.210 0.000 0.999 76 G CA 0.043 45.266 45.100 0.205 0.000 0.686 76 G HN 0.767 nan 8.290 nan 0.000 0.515 77 V N 1.156 121.027 119.914 -0.071 0.000 2.509 77 V HA 0.592 4.712 4.120 0.000 0.000 0.284 77 V C 0.798 176.740 176.094 -0.253 0.000 1.047 77 V CA -0.817 61.354 62.300 -0.214 0.000 0.952 77 V CB 1.658 33.282 31.823 -0.333 0.000 0.988 77 V HN 0.452 nan 8.190 nan 0.000 0.469 78 L N 7.747 128.723 121.223 -0.412 0.000 2.369 78 L HA 0.494 4.834 4.340 0.000 0.000 0.279 78 L C -0.242 176.279 176.870 -0.582 0.000 1.108 78 L CA 0.630 55.017 54.840 -0.755 0.000 0.852 78 L CB -0.163 41.455 42.059 -0.735 0.000 1.169 78 L HN 0.646 nan 8.230 nan 0.000 0.452 79 I N 0.827 120.983 120.570 -0.690 0.000 3.108 79 I HA 0.536 4.707 4.170 0.000 0.000 0.312 79 I C -0.943 174.638 176.117 -0.894 0.000 1.095 79 I CA -0.815 59.804 61.300 -1.134 0.000 1.000 79 I CB 2.056 39.535 38.000 -0.868 0.000 1.229 79 I HN 0.553 nan 8.210 nan 0.000 0.454 80 H N 2.240 120.493 119.070 -1.362 0.000 2.623 80 H HA 0.302 4.858 4.556 0.000 0.000 0.299 80 H C -2.112 172.985 175.328 -0.385 0.000 1.052 80 H CA -1.955 53.742 56.048 -0.584 0.000 1.231 80 H CB 1.088 30.750 29.762 -0.168 0.000 1.389 80 H HN 0.436 nan 8.280 nan 0.000 0.469 81 P HA -0.188 nan 4.420 nan 0.000 0.219 81 P C -0.066 176.782 177.300 -0.753 0.000 1.146 81 P CA 1.366 64.149 63.100 -0.528 0.000 0.808 81 P CB 0.096 31.356 31.700 -0.733 0.000 0.779 82 Y N -0.884 119.172 120.300 -0.408 0.000 2.746 82 Y HA 0.507 5.057 4.550 0.000 0.000 0.312 82 Y C 1.370 176.924 175.900 -0.576 0.000 1.117 82 Y CA -0.097 57.530 58.100 -0.788 0.000 1.324 82 Y CB -0.171 38.119 38.460 -0.282 0.000 1.173 82 Y HN -0.078 nan 8.280 nan 0.000 0.529 83 G N 1.145 109.775 108.800 -0.283 0.000 2.662 83 G HA2 -0.150 3.810 3.960 0.000 0.000 0.686 83 G HA3 -0.150 3.810 3.960 0.000 0.000 0.686 83 G C -3.132 172.083 174.900 0.524 0.000 1.271 83 G CA -1.528 43.714 45.100 0.237 0.000 0.816 83 G HN -0.037 nan 8.290 nan 0.000 0.608 84 P HA 0.232 nan 4.420 nan 0.000 0.270 84 P C -0.677 176.886 177.300 0.438 0.000 1.242 84 P CA 0.448 63.842 63.100 0.489 0.000 0.768 84 P CB 0.221 32.023 31.700 0.170 0.000 0.820 85 H N 3.246 122.694 119.070 0.630 0.000 2.623 85 H HA 0.443 4.999 4.556 0.000 0.000 0.299 85 H C -0.018 175.597 175.328 0.479 0.000 1.052 85 H CA -0.326 55.917 56.048 0.325 0.000 1.231 85 H CB 0.166 29.877 29.762 -0.085 0.000 1.389 85 H HN 0.270 nan 8.280 nan 0.000 0.469 86 I N 3.654 124.492 120.570 0.447 0.000 2.362 86 I HA 0.134 4.304 4.170 0.000 0.000 0.289 86 I C -0.350 176.051 176.117 0.473 0.000 0.994 86 I CA -0.549 61.051 61.300 0.499 0.000 1.158 86 I CB 0.659 38.879 38.000 0.368 0.000 1.315 86 I HN 0.402 nan 8.210 nan 0.000 0.451 87 F N 7.279 127.488 119.950 0.431 0.000 2.412 87 F HA 0.500 5.027 4.527 0.000 0.000 0.348 87 F C 0.108 176.004 175.800 0.160 0.000 1.102 87 F CA 0.237 58.403 58.000 0.276 0.000 1.196 87 F CB 0.267 39.537 39.000 0.450 0.000 1.144 87 F HN 0.656 nan 8.300 nan 0.000 0.541 88 H N 1.266 119.781 119.070 -0.926 0.000 3.086 88 H HA 0.571 5.127 4.556 0.000 0.000 0.353 88 H C -1.349 173.495 175.328 -0.806 0.000 1.134 88 H CA -0.978 54.645 56.048 -0.709 0.000 1.248 88 H CB 1.562 30.857 29.762 -0.779 0.000 1.878 88 H HN 0.590 nan 8.280 nan 0.000 0.527 89 T N 1.137 115.478 114.554 -0.356 0.000 2.885 89 T HA 0.272 4.622 4.350 0.000 0.000 0.322 89 T C -0.440 174.269 174.700 0.015 0.000 1.387 89 T CA -0.766 61.204 62.100 -0.218 0.000 1.041 89 T CB 1.340 70.100 68.868 -0.181 0.000 1.287 89 T HN 0.735 nan 8.240 nan 0.000 0.491 90 N N 1.033 119.747 118.700 0.022 0.000 2.280 90 N HA 0.123 4.863 4.740 0.000 0.000 0.192 90 N C 0.148 175.754 175.510 0.160 0.000 1.109 90 N CA 0.112 53.202 53.050 0.067 0.000 0.855 90 N CB 0.765 39.253 38.487 0.001 0.000 0.974 90 N HN 0.480 nan 8.380 nan 0.000 0.482 91 S N 0.913 116.687 115.700 0.123 0.000 2.399 91 S HA 0.149 4.619 4.470 0.000 0.000 0.301 91 S C 1.280 175.908 174.600 0.046 0.000 1.093 91 S CA -0.580 57.674 58.200 0.090 0.000 1.077 91 S CB 0.996 64.216 63.200 0.032 0.000 0.980 91 S HN 0.161 nan 8.310 nan 0.000 0.494 92 K N 3.946 124.392 120.400 0.077 0.000 2.113 92 K HA -0.185 4.135 4.320 0.000 0.000 0.208 92 K C 0.819 177.381 176.600 -0.063 0.000 1.047 92 K CA 2.188 58.407 56.287 -0.113 0.000 0.928 92 K CB -0.160 32.391 32.500 0.085 0.000 0.716 92 K HN 0.615 nan 8.250 nan 0.000 0.446 93 D N 0.300 120.708 120.400 0.015 0.000 2.087 93 D HA -0.156 4.484 4.640 0.000 0.000 0.192 93 D C 2.002 178.351 176.300 0.082 0.000 0.993 93 D CA 1.465 55.490 54.000 0.042 0.000 0.828 93 D CB -0.408 40.416 40.800 0.039 0.000 0.968 93 D HN 0.058 nan 8.370 nan 0.000 0.448 94 V N 0.658 120.629 119.914 0.094 0.000 2.332 94 V HA -0.241 3.879 4.120 0.000 0.000 0.248 94 V C 2.199 178.435 176.094 0.238 0.000 1.055 94 V CA 1.400 63.810 62.300 0.183 0.000 1.038 94 V CB -0.593 31.333 31.823 0.171 0.000 0.651 94 V HN 0.138 nan 8.190 nan 0.000 0.450 95 F N 0.688 120.607 119.950 -0.051 0.000 2.171 95 F HA -0.165 4.362 4.527 0.000 0.000 0.300 95 F C 2.402 178.142 175.800 -0.100 0.000 1.090 95 F CA 1.904 59.802 58.000 -0.170 0.000 1.293 95 F CB 0.086 38.700 39.000 -0.644 0.000 1.013 95 F HN 0.185 nan 8.300 nan 0.000 0.486 96 E N -1.147 119.003 120.200 -0.084 0.000 2.112 96 E HA -0.218 4.132 4.350 0.000 0.000 0.190 96 E C 1.815 178.367 176.600 -0.082 0.000 0.979 96 E CA 1.048 57.383 56.400 -0.109 0.000 0.814 96 E CB -0.373 29.306 29.700 -0.035 0.000 0.762 96 E HN 0.588 nan 8.360 nan 0.000 0.460 97 Y N 1.247 121.500 120.300 -0.079 0.000 2.097 97 Y HA -0.257 4.293 4.550 0.000 0.000 0.282 97 Y C 1.897 177.752 175.900 -0.074 0.000 1.152 97 Y CA 1.263 59.328 58.100 -0.059 0.000 1.136 97 Y CB -0.279 38.199 38.460 0.031 0.000 0.975 97 Y HN -0.017 nan 8.280 nan 0.000 0.498 98 L N 0.059 121.225 121.223 -0.096 0.000 2.131 98 L HA -0.192 4.148 4.340 0.000 0.000 0.210 98 L C 2.510 179.244 176.870 -0.227 0.000 1.092 98 L CA 1.840 56.617 54.840 -0.105 0.000 0.759 98 L CB -1.390 40.716 42.059 0.079 0.000 0.903 98 L HN 0.217 nan 8.230 nan 0.000 0.435 99 S N -0.862 114.717 115.700 -0.202 0.000 2.469 99 S HA -0.141 4.329 4.470 0.000 0.000 0.238 99 S C 1.907 176.277 174.600 -0.383 0.000 0.998 99 S CA 0.666 58.755 58.200 -0.184 0.000 0.957 99 S CB -0.239 62.879 63.200 -0.137 0.000 0.764 99 S HN 0.450 nan 8.310 nan 0.000 0.514 100 R N -0.224 119.892 120.500 -0.640 0.000 2.237 100 R HA 0.028 4.368 4.340 0.000 0.000 0.219 100 R C 0.712 176.455 176.300 -0.928 0.000 1.080 100 R CA 1.011 56.582 56.100 -0.883 0.000 0.995 100 R CB -0.195 29.305 30.300 -1.333 0.000 0.875 100 R HN 0.465 nan 8.270 nan 0.000 0.462 101 F N -1.326 118.405 119.950 -0.366 0.000 2.706 101 F HA 0.254 4.781 4.527 0.000 0.000 0.313 101 F C 0.522 176.086 175.800 -0.394 0.000 1.096 101 F CA -0.418 57.369 58.000 -0.356 0.000 1.219 101 F CB 1.326 40.089 39.000 -0.396 0.000 1.051 101 F HN -0.208 nan 8.300 nan 0.000 0.568 102 T N -0.372 113.952 114.554 -0.382 0.000 2.827 102 T HA 0.279 4.629 4.350 0.000 0.000 0.328 102 T C -1.155 173.128 174.700 -0.695 0.000 1.598 102 T CA -0.563 61.216 62.100 -0.535 0.000 1.043 102 T CB 1.502 69.917 68.868 -0.756 0.000 1.447 102 T HN 0.046 nan 8.240 nan 0.000 0.491 103 E N 0.800 120.656 120.200 -0.574 0.000 2.330 103 E HA 0.579 4.929 4.350 0.000 0.000 0.256 103 E C -1.061 175.119 176.600 -0.699 0.000 1.146 103 E CA -0.627 55.475 56.400 -0.496 0.000 0.945 103 E CB 1.028 30.589 29.700 -0.232 0.000 1.182 103 E HN 0.503 nan 8.360 nan 0.000 0.480 104 W N 0.273 121.510 121.300 -0.105 0.000 2.844 104 W HA 0.408 5.068 4.660 0.000 0.000 0.340 104 W C -0.294 176.220 176.519 -0.008 0.000 1.093 104 W CA -0.777 56.546 57.345 -0.037 0.000 1.212 104 W CB 1.192 30.710 29.460 0.096 0.000 1.422 104 W HN 0.138 nan 8.180 nan 0.000 0.515 105 R N 3.418 124.082 120.500 0.273 0.000 2.239 105 R HA 0.392 4.732 4.340 0.000 0.000 0.332 105 R C -2.543 173.941 176.300 0.306 0.000 0.988 105 R CA -1.775 54.452 56.100 0.211 0.000 0.859 105 R CB 0.891 31.255 30.300 0.106 0.000 1.148 105 R HN 0.104 nan 8.270 nan 0.000 0.482 106 P HA -0.079 nan 4.420 nan 0.000 0.264 106 P C -1.590 175.911 177.300 0.335 0.000 1.183 106 P CA 0.470 63.723 63.100 0.256 0.000 0.763 106 P CB 0.122 31.925 31.700 0.171 0.000 0.807 107 Y N 1.408 121.814 120.300 0.176 0.000 2.376 107 Y HA 0.262 4.812 4.550 0.000 0.000 0.321 107 Y C -1.493 174.531 175.900 0.207 0.000 1.189 107 Y CA -0.540 57.674 58.100 0.191 0.000 1.069 107 Y CB 1.523 40.120 38.460 0.229 0.000 1.292 107 Y HN 0.310 nan 8.280 nan 0.000 0.430 108 Q N 5.129 124.680 119.800 -0.415 0.000 2.394 108 Q HA 0.220 4.560 4.340 0.000 0.000 0.259 108 Q C -1.214 174.421 176.000 -0.608 0.000 1.021 108 Q CA -0.968 54.620 55.803 -0.358 0.000 0.805 108 Q CB 1.183 29.838 28.738 -0.139 0.000 1.226 108 Q HN 0.672 nan 8.270 nan 0.000 0.476 109 H N 2.600 121.306 119.070 -0.608 0.000 2.928 109 H HA 0.151 4.707 4.556 0.000 0.000 0.338 109 H C -0.719 174.480 175.328 -0.216 0.000 1.047 109 H CA 0.707 56.523 56.048 -0.385 0.000 1.435 109 H CB 0.473 30.285 29.762 0.084 0.000 1.428 109 H HN 0.417 nan 8.280 nan 0.000 0.590 110 R N 3.445 123.608 120.500 -0.562 0.000 2.561 110 R HA 0.507 4.848 4.340 0.000 0.000 0.297 110 R C -1.331 174.589 176.300 -0.633 0.000 0.969 110 R CA -1.027 54.792 56.100 -0.468 0.000 0.879 110 R CB 2.077 32.221 30.300 -0.260 0.000 1.178 110 R HN 0.331 nan 8.270 nan 0.000 0.445 111 V N 4.248 123.871 119.914 -0.485 0.000 2.555 111 V HA 0.441 4.561 4.120 0.000 0.000 0.302 111 V C -0.802 175.145 176.094 -0.246 0.000 1.038 111 V CA -0.908 61.126 62.300 -0.442 0.000 0.887 111 V CB 1.862 33.338 31.823 -0.578 0.000 0.991 111 V HN 0.444 nan 8.190 nan 0.000 0.434 112 L N 3.415 124.501 121.223 -0.228 0.000 2.334 112 L HA 0.877 5.217 4.340 0.000 0.000 0.273 112 L C 0.259 177.029 176.870 -0.167 0.000 1.013 112 L CA -0.416 54.325 54.840 -0.165 0.000 0.816 112 L CB 1.691 43.652 42.059 -0.164 0.000 1.278 112 L HN 0.812 nan 8.230 nan 0.000 0.431 113 A N 1.375 124.133 122.820 -0.102 0.000 2.330 113 A HA 0.602 4.922 4.320 0.000 0.000 0.327 113 A C -0.251 177.223 177.584 -0.183 0.000 1.155 113 A CA -0.437 51.524 52.037 -0.126 0.000 0.803 113 A CB 1.041 20.053 19.000 0.021 0.000 1.208 113 A HN 0.607 nan 8.150 nan 0.000 0.477 114 S N 2.116 117.632 115.700 -0.307 0.000 2.494 114 S HA 0.468 4.938 4.470 0.000 0.000 0.312 114 S C -0.611 173.875 174.600 -0.190 0.000 1.121 114 S CA -0.274 57.775 58.200 -0.252 0.000 1.068 114 S CB -0.838 62.149 63.200 -0.356 0.000 1.141 114 S HN 0.670 nan 8.310 nan 0.000 0.527 115 V N 4.982 124.774 119.914 -0.204 0.000 2.588 115 V HA 0.381 4.501 4.120 0.000 0.000 0.304 115 V C -0.397 175.595 176.094 -0.170 0.000 1.042 115 V CA -0.861 61.274 62.300 -0.274 0.000 0.877 115 V CB 1.732 33.208 31.823 -0.579 0.000 0.996 115 V HN 0.843 nan 8.190 nan 0.000 0.425 116 D N 3.761 124.082 120.400 -0.131 0.000 2.708 116 D HA -0.186 4.454 4.640 0.000 0.000 0.236 116 D C 1.328 177.599 176.300 -0.050 0.000 1.146 116 D CA 1.830 55.783 54.000 -0.079 0.000 0.662 116 D CB -1.092 39.662 40.800 -0.078 0.000 1.059 116 D HN 1.525 nan 8.370 nan 0.000 0.428 117 G N -0.552 108.226 108.800 -0.035 0.000 2.168 117 G HA2 -0.354 3.606 3.960 0.000 0.000 0.257 117 G HA3 -0.354 3.606 3.960 0.000 0.000 0.257 117 G C 0.172 175.061 174.900 -0.017 0.000 0.997 117 G CA 0.890 45.985 45.100 -0.009 0.000 0.708 117 G HN 0.540 nan 8.290 nan 0.000 0.520 118 Q N -1.314 118.461 119.800 -0.041 0.000 2.399 118 Q HA 0.742 5.082 4.340 0.000 0.000 0.276 118 Q C -0.119 175.846 176.000 -0.058 0.000 1.098 118 Q CA -0.958 54.821 55.803 -0.041 0.000 0.827 118 Q CB 1.925 30.638 28.738 -0.042 0.000 1.386 118 Q HN 0.252 nan 8.270 nan 0.000 0.443 119 L N 2.478 123.669 121.223 -0.054 0.000 2.262 119 L HA 0.409 4.750 4.340 0.000 0.000 0.288 119 L C -1.189 175.651 176.870 -0.051 0.000 1.035 119 L CA -0.574 54.222 54.840 -0.073 0.000 0.820 119 L CB 0.372 42.382 42.059 -0.082 0.000 1.204 119 L HN 0.243 nan 8.230 nan 0.000 0.424 120 L N 5.489 126.698 121.223 -0.023 0.000 2.354 120 L HA 0.654 4.994 4.340 0.000 0.000 0.269 120 L C -2.253 174.621 176.870 0.007 0.000 1.005 120 L CA -2.473 52.378 54.840 0.019 0.000 0.819 120 L CB 1.597 43.728 42.059 0.119 0.000 1.311 120 L HN 0.222 nan 8.230 nan 0.000 0.423 121 P HA 0.257 nan 4.420 nan 0.000 0.268 121 P C -0.935 176.313 177.300 -0.087 0.000 1.204 121 P CA 0.030 63.086 63.100 -0.072 0.000 0.768 121 P CB 0.668 32.315 31.700 -0.088 0.000 0.842 122 I N 4.521 125.043 120.570 -0.080 0.000 2.533 122 I HA 0.494 4.664 4.170 0.000 0.000 0.290 122 I C -2.706 173.373 176.117 -0.063 0.000 1.056 122 I CA -3.498 57.737 61.300 -0.108 0.000 1.057 122 I CB 1.893 39.855 38.000 -0.064 0.000 1.240 122 I HN 0.174 nan 8.210 nan 0.000 0.423 123 P HA 0.095 nan 4.420 nan 0.000 0.266 123 P C -0.434 176.747 177.300 -0.198 0.000 1.186 123 P CA 0.286 63.261 63.100 -0.207 0.000 0.767 123 P CB 0.263 31.828 31.700 -0.226 0.000 0.820 124 I N 2.719 123.149 120.570 -0.233 0.000 2.710 124 I HA -0.017 4.153 4.170 0.000 0.000 0.286 124 I C 1.157 177.217 176.117 -0.095 0.000 1.181 124 I CA 0.822 61.964 61.300 -0.264 0.000 1.430 124 I CB -0.104 37.721 38.000 -0.291 0.000 1.367 124 I HN 0.555 nan 8.210 nan 0.000 0.577 125 N N 5.319 123.982 118.700 -0.061 0.000 3.316 125 N HA 0.244 4.985 4.740 0.000 0.000 0.300 125 N C 0.235 175.737 175.510 -0.013 0.000 1.567 125 N CA -0.889 52.154 53.050 -0.012 0.000 0.821 125 N CB 0.565 39.016 38.487 -0.060 0.000 1.748 125 N HN 0.431 nan 8.380 nan 0.000 0.603 126 L N -0.126 121.068 121.223 -0.048 0.000 2.013 126 L HA -0.197 4.143 4.340 0.000 0.000 0.212 126 L C 0.711 177.527 176.870 -0.089 0.000 1.073 126 L CA 2.211 56.994 54.840 -0.094 0.000 0.753 126 L CB -0.418 41.572 42.059 -0.114 0.000 0.890 126 L HN 0.563 nan 8.230 nan 0.000 0.432 127 D N -1.160 119.194 120.400 -0.077 0.000 2.144 127 D HA -0.132 4.508 4.640 0.000 0.000 0.200 127 D C 2.002 178.262 176.300 -0.066 0.000 0.978 127 D CA 1.610 55.567 54.000 -0.071 0.000 0.833 127 D CB -0.135 40.625 40.800 -0.066 0.000 0.961 127 D HN 0.385 nan 8.370 nan 0.000 0.470 128 T N 0.979 115.493 114.554 -0.067 0.000 2.652 128 T HA -0.115 4.236 4.350 0.000 0.000 0.267 128 T C 2.333 176.995 174.700 -0.064 0.000 1.039 128 T CA 0.972 63.035 62.100 -0.062 0.000 1.153 128 T CB -0.463 68.326 68.868 -0.132 0.000 0.863 128 T HN -0.015 nan 8.240 nan 0.000 0.428 129 V N 2.295 122.175 119.914 -0.055 0.000 2.307 129 V HA -0.156 3.964 4.120 0.000 0.000 0.245 129 V C 2.539 178.580 176.094 -0.089 0.000 1.045 129 V CA 1.510 63.779 62.300 -0.052 0.000 1.024 129 V CB -0.669 31.125 31.823 -0.048 0.000 0.651 129 V HN 0.405 nan 8.190 nan 0.000 0.449 130 N N 0.403 119.043 118.700 -0.099 0.000 2.069 130 N HA -0.150 4.590 4.740 0.000 0.000 0.191 130 N C 1.992 177.466 175.510 -0.059 0.000 1.031 130 N CA 1.548 54.547 53.050 -0.084 0.000 0.852 130 N CB -0.324 38.111 38.487 -0.087 0.000 1.018 130 N HN 0.485 nan 8.380 nan 0.000 0.423 131 R N 0.089 120.550 120.500 -0.065 0.000 2.073 131 R HA -0.015 4.325 4.340 0.000 0.000 0.229 131 R C 2.098 178.351 176.300 -0.078 0.000 1.120 131 R CA 0.504 56.571 56.100 -0.056 0.000 0.967 131 R CB -0.507 29.765 30.300 -0.047 0.000 0.862 131 R HN 0.118 nan 8.270 nan 0.000 0.436 132 L N -0.006 121.129 121.223 -0.147 0.000 2.012 132 L HA -0.197 4.143 4.340 0.000 0.000 0.210 132 L C 1.320 178.029 176.870 -0.270 0.000 1.073 132 L CA 1.866 56.540 54.840 -0.277 0.000 0.748 132 L CB -0.244 41.517 42.059 -0.497 0.000 0.891 132 L HN 0.126 nan 8.230 nan 0.000 0.431 133 Y N -0.456 119.847 120.300 0.005 0.000 2.458 133 Y HA 0.457 5.007 4.550 0.000 0.000 0.256 133 Y C 1.651 177.534 175.900 -0.027 0.000 1.159 133 Y CA -0.245 57.850 58.100 -0.007 0.000 1.261 133 Y CB -0.351 38.091 38.460 -0.031 0.000 1.119 133 Y HN 0.212 nan 8.280 nan 0.000 0.524 134 G N 1.193 110.037 108.800 0.074 0.000 2.246 134 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 134 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 134 G C -0.123 174.788 174.900 0.018 0.000 1.055 134 G CA 0.138 45.258 45.100 0.034 0.000 0.851 134 G HN 0.288 nan 8.290 nan 0.000 0.500 135 L N -0.737 120.486 121.223 -0.000 0.000 2.431 135 L HA 0.517 4.857 4.340 0.000 0.000 0.260 135 L C 0.951 177.787 176.870 -0.058 0.000 1.098 135 L CA -0.942 53.870 54.840 -0.047 0.000 0.800 135 L CB 0.897 42.888 42.059 -0.114 0.000 1.210 135 L HN 0.107 nan 8.230 nan 0.000 0.465 136 N N 1.561 120.223 118.700 -0.064 0.000 2.610 136 N HA 0.295 5.035 4.740 0.000 0.000 0.307 136 N C -0.938 174.533 175.510 -0.066 0.000 1.813 136 N CA -0.121 52.894 53.050 -0.057 0.000 0.901 136 N CB 0.764 39.229 38.487 -0.036 0.000 1.354 136 N HN 0.373 nan 8.380 nan 0.000 0.491 137 L N 1.078 122.240 121.223 -0.102 0.000 2.439 137 L HA 0.186 4.526 4.340 0.000 0.000 0.269 137 L C 1.628 178.446 176.870 -0.086 0.000 1.179 137 L CA -0.024 54.754 54.840 -0.103 0.000 0.828 137 L CB 0.472 42.424 42.059 -0.177 0.000 1.106 137 L HN 0.182 nan 8.230 nan 0.000 0.467 138 T N -1.515 113.010 114.554 -0.048 0.000 2.788 138 T HA 0.103 4.453 4.350 0.000 0.000 0.280 138 T C 1.180 175.799 174.700 -0.135 0.000 0.984 138 T CA -0.506 61.564 62.100 -0.049 0.000 0.972 138 T CB 1.319 70.232 68.868 0.076 0.000 1.039 138 T HN 0.534 nan 8.240 nan 0.000 0.530 139 S N 0.040 115.573 115.700 -0.278 0.000 2.383 139 S HA -0.029 4.442 4.470 0.000 0.000 0.229 139 S C 1.483 175.865 174.600 -0.363 0.000 1.030 139 S CA 1.221 59.183 58.200 -0.397 0.000 1.002 139 S CB -0.751 62.089 63.200 -0.600 0.000 0.829 139 S HN 0.658 nan 8.310 nan 0.000 0.467 140 F N 1.570 121.497 119.950 -0.038 0.000 2.206 140 F HA -0.008 4.519 4.527 0.000 0.000 0.298 140 F C 2.552 178.332 175.800 -0.033 0.000 1.090 140 F CA 0.643 58.627 58.000 -0.028 0.000 1.323 140 F CB -0.695 38.293 39.000 -0.021 0.000 1.028 140 F HN 0.190 nan 8.300 nan 0.000 0.492 141 Q N -0.361 119.502 119.800 0.105 0.000 2.123 141 Q HA -0.104 4.236 4.340 0.000 0.000 0.199 141 Q C 2.441 178.428 176.000 -0.021 0.000 0.966 141 Q CA 1.161 56.989 55.803 0.043 0.000 0.845 141 Q CB -0.426 28.323 28.738 0.018 0.000 0.907 141 Q HN 0.328 nan 8.270 nan 0.000 0.439 142 V N 0.945 120.782 119.914 -0.128 0.000 2.667 142 V HA -0.238 3.882 4.120 0.000 0.000 0.252 142 V C 2.097 177.985 176.094 -0.344 0.000 1.065 142 V CA 1.978 64.095 62.300 -0.305 0.000 1.083 142 V CB -0.045 31.520 31.823 -0.430 0.000 0.692 142 V HN 0.376 nan 8.190 nan 0.000 0.468 143 E N 0.286 120.415 120.200 -0.118 0.000 2.051 143 E HA -0.266 4.084 4.350 0.000 0.000 0.192 143 E C 2.071 178.716 176.600 0.076 0.000 0.991 143 E CA 2.157 58.578 56.400 0.035 0.000 0.799 143 E CB -0.252 29.492 29.700 0.073 0.000 0.748 143 E HN 0.745 nan 8.360 nan 0.000 0.449 144 E N -0.536 119.700 120.200 0.061 0.000 2.072 144 E HA -0.157 4.193 4.350 0.000 0.000 0.191 144 E C 1.865 178.510 176.600 0.074 0.000 0.985 144 E CA 0.947 57.388 56.400 0.068 0.000 0.801 144 E CB -0.292 29.447 29.700 0.065 0.000 0.750 144 E HN 0.327 nan 8.360 nan 0.000 0.452 145 F N 1.142 121.041 119.950 -0.086 0.000 2.065 145 F HA -0.275 4.252 4.527 0.000 0.000 0.298 145 F C 1.860 177.678 175.800 0.030 0.000 1.112 145 F CA 1.426 59.374 58.000 -0.087 0.000 1.212 145 F CB -0.243 38.640 39.000 -0.195 0.000 0.975 145 F HN -0.072 nan 8.300 nan 0.000 0.476 146 F N 0.891 120.862 119.950 0.035 0.000 2.154 146 F HA -0.173 4.354 4.527 0.000 0.000 0.301 146 F C 2.650 178.367 175.800 -0.139 0.000 1.087 146 F CA 0.910 58.864 58.000 -0.077 0.000 1.274 146 F CB -1.807 37.217 39.000 0.039 0.000 1.009 146 F HN 0.124 nan 8.300 nan 0.000 0.485 147 A N -0.239 122.644 122.820 0.104 0.000 1.933 147 A HA -0.174 4.146 4.320 0.000 0.000 0.218 147 A C 2.342 179.901 177.584 -0.043 0.000 1.175 147 A CA 1.981 54.034 52.037 0.028 0.000 0.628 147 A CB -1.119 17.900 19.000 0.033 0.000 0.814 147 A HN 0.397 nan 8.150 nan 0.000 0.444 148 S N -0.419 115.223 115.700 -0.096 0.000 2.515 148 S HA 0.007 4.477 4.470 0.000 0.000 0.231 148 S C 1.332 175.820 174.600 -0.187 0.000 0.987 148 S CA 1.191 59.312 58.200 -0.131 0.000 0.936 148 S CB -0.416 62.706 63.200 -0.130 0.000 0.766 148 S HN 1.082 nan 8.310 nan 0.000 0.528 149 V N -2.680 117.090 119.914 -0.241 0.000 3.604 149 V HA 0.663 4.784 4.120 0.000 0.000 0.277 149 V C 0.920 176.945 176.094 -0.116 0.000 1.399 149 V CA -0.284 61.889 62.300 -0.212 0.000 1.034 149 V CB -0.801 30.825 31.823 -0.328 0.000 0.824 149 V HN 0.534 nan 8.190 nan 0.000 0.439 150 A N 0.987 123.752 122.820 -0.092 0.000 2.466 150 A HA 0.421 4.741 4.320 0.000 0.000 0.238 150 A C 0.170 177.708 177.584 -0.076 0.000 1.074 150 A CA 0.154 52.144 52.037 -0.079 0.000 0.774 150 A CB -0.088 18.874 19.000 -0.063 0.000 1.015 150 A HN 0.668 nan 8.150 nan 0.000 0.498 151 E N 1.006 121.155 120.200 -0.086 0.000 2.158 151 E HA 0.334 4.684 4.350 0.000 0.000 0.271 151 E C -0.604 175.947 176.600 -0.081 0.000 0.911 151 E CA -0.771 55.581 56.400 -0.080 0.000 0.767 151 E CB 1.493 31.137 29.700 -0.093 0.000 1.120 151 E HN 0.432 nan 8.360 nan 0.000 0.405 152 K N 1.577 121.937 120.400 -0.066 0.000 2.166 152 K HA 0.620 4.940 4.320 0.000 0.000 0.245 152 K C -0.979 175.584 176.600 -0.061 0.000 0.967 152 K CA -0.852 55.397 56.287 -0.065 0.000 0.863 152 K CB 2.001 34.468 32.500 -0.054 0.000 1.107 152 K HN 0.262 nan 8.250 nan 0.000 0.436 153 V N 1.892 121.769 119.914 -0.062 0.000 2.668 153 V HA 0.219 4.339 4.120 0.000 0.000 0.304 153 V C -0.769 175.294 176.094 -0.050 0.000 1.071 153 V CA -0.980 61.283 62.300 -0.060 0.000 0.894 153 V CB 1.896 33.674 31.823 -0.076 0.000 1.008 153 V HN 0.665 nan 8.190 nan 0.000 0.425 154 E N 2.485 122.660 120.200 -0.042 0.000 2.313 154 E HA 0.527 4.877 4.350 0.000 0.000 0.276 154 E C -0.261 176.317 176.600 -0.036 0.000 1.031 154 E CA -0.169 56.210 56.400 -0.035 0.000 0.857 154 E CB 0.620 30.303 29.700 -0.029 0.000 1.040 154 E HN 0.585 nan 8.360 nan 0.000 0.408 155 Q N 0.996 120.775 119.800 -0.034 0.000 2.420 155 Q HA -0.140 4.200 4.340 0.000 0.000 0.359 155 Q C -1.590 174.384 176.000 -0.042 0.000 1.403 155 Q CA 0.125 55.908 55.803 -0.034 0.000 0.982 155 Q CB -1.179 27.543 28.738 -0.028 0.000 1.137 155 Q HN 0.366 nan 8.270 nan 0.000 0.317 156 V N 4.754 124.639 119.914 -0.049 0.000 2.450 156 V HA 0.061 4.181 4.120 0.000 0.000 0.281 156 V C 1.576 177.640 176.094 -0.050 0.000 1.019 156 V CA 1.088 63.352 62.300 -0.059 0.000 1.062 156 V CB 0.785 32.568 31.823 -0.067 0.000 0.979 156 V HN 0.670 nan 8.190 nan 0.000 0.477 157 R N 2.069 122.538 120.500 -0.050 0.000 2.453 157 R HA 0.210 4.550 4.340 0.000 0.000 0.233 157 R C 0.363 176.637 176.300 -0.044 0.000 0.895 157 R CA -0.063 56.013 56.100 -0.040 0.000 1.028 157 R CB 0.823 31.105 30.300 -0.032 0.000 1.255 157 R HN 0.602 nan 8.270 nan 0.000 0.571 158 T N -0.308 114.212 114.554 -0.056 0.000 2.912 158 T HA 0.188 4.538 4.350 0.000 0.000 0.288 158 T C 0.875 175.538 174.700 -0.063 0.000 1.030 158 T CA -0.409 61.658 62.100 -0.054 0.000 1.020 158 T CB 2.232 71.067 68.868 -0.054 0.000 1.056 158 T HN -0.139 nan 8.240 nan 0.000 0.480 159 S N 1.015 116.688 115.700 -0.044 0.000 2.419 159 S HA -0.125 4.345 4.470 0.000 0.000 0.233 159 S C 1.909 176.507 174.600 -0.004 0.000 1.016 159 S CA 1.230 59.417 58.200 -0.022 0.000 0.974 159 S CB -0.129 63.075 63.200 0.006 0.000 0.786 159 S HN 0.803 nan 8.310 nan 0.000 0.492 160 E N 1.039 121.227 120.200 -0.019 0.000 2.047 160 E HA -0.186 4.164 4.350 0.000 0.000 0.191 160 E C 1.235 177.655 176.600 -0.300 0.000 0.987 160 E CA 1.278 57.566 56.400 -0.186 0.000 0.799 160 E CB -0.068 29.523 29.700 -0.182 0.000 0.752 160 E HN 0.314 nan 8.360 nan 0.000 0.449 161 D N 0.512 120.800 120.400 -0.187 0.000 2.106 161 D HA -0.182 4.458 4.640 0.000 0.000 0.191 161 D C 2.150 178.340 176.300 -0.182 0.000 0.997 161 D CA 2.125 56.022 54.000 -0.173 0.000 0.834 161 D CB -0.385 40.346 40.800 -0.115 0.000 0.956 161 D HN 0.261 nan 8.370 nan 0.000 0.448 162 V N -0.118 119.698 119.914 -0.163 0.000 2.490 162 V HA -0.167 3.954 4.120 0.000 0.000 0.250 162 V C 2.501 178.455 176.094 -0.234 0.000 1.061 162 V CA 1.079 63.276 62.300 -0.171 0.000 1.064 162 V CB -0.913 30.822 31.823 -0.147 0.000 0.670 162 V HN 0.013 nan 8.190 nan 0.000 0.461 163 V N -0.818 118.924 119.914 -0.286 0.000 2.426 163 V HA -0.048 4.072 4.120 0.000 0.000 0.242 163 V C 2.503 178.430 176.094 -0.277 0.000 1.036 163 V CA 1.402 63.488 62.300 -0.357 0.000 1.044 163 V CB 0.158 31.730 31.823 -0.417 0.000 0.688 163 V HN 0.361 nan 8.190 nan 0.000 0.462 164 V N 1.466 121.191 119.914 -0.315 0.000 2.407 164 V HA -0.214 3.906 4.120 0.000 0.000 0.248 164 V C 2.653 178.630 176.094 -0.196 0.000 1.055 164 V CA 2.413 64.545 62.300 -0.280 0.000 1.049 164 V CB -0.396 31.184 31.823 -0.405 0.000 0.662 164 V HN 0.777 nan 8.190 nan 0.000 0.455 165 S N -1.282 114.305 115.700 -0.188 0.000 2.547 165 S HA -0.069 4.401 4.470 0.000 0.000 0.235 165 S C 1.597 176.110 174.600 -0.145 0.000 0.980 165 S CA 0.865 58.978 58.200 -0.145 0.000 0.941 165 S CB -0.137 62.988 63.200 -0.126 0.000 0.763 165 S HN 0.669 nan 8.310 nan 0.000 0.532 166 K N 0.427 120.712 120.400 -0.192 0.000 2.362 166 K HA 0.209 4.529 4.320 0.000 0.000 0.203 166 K C 1.549 177.949 176.600 -0.334 0.000 1.198 166 K CA 1.017 57.164 56.287 -0.232 0.000 0.908 166 K CB 0.427 32.769 32.500 -0.263 0.000 1.236 166 K HN 0.363 nan 8.250 nan 0.000 0.487 167 V N -1.910 117.797 119.914 -0.345 0.000 3.528 167 V HA 0.422 4.542 4.120 0.000 0.000 0.294 167 V C 0.571 176.629 176.094 -0.061 0.000 1.404 167 V CA 0.172 62.253 62.300 -0.365 0.000 1.065 167 V CB -0.217 31.360 31.823 -0.410 0.000 0.904 167 V HN 0.427 nan 8.190 nan 0.000 0.435 168 G N 1.561 110.320 108.800 -0.067 0.000 2.725 168 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 168 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 168 G C 0.217 175.156 174.900 0.065 0.000 1.357 168 G CA 0.526 45.617 45.100 -0.016 0.000 0.866 168 G HN 0.663 nan 8.290 nan 0.000 0.548 169 R N -0.331 120.219 120.500 0.084 0.000 2.066 169 R HA 0.091 4.431 4.340 0.000 0.000 0.224 169 R C 2.204 178.656 176.300 0.252 0.000 1.122 169 R CA 2.167 58.359 56.100 0.153 0.000 0.974 169 R CB -0.895 29.460 30.300 0.092 0.000 0.871 169 R HN 0.604 nan 8.270 nan 0.000 0.435 170 D N -0.115 120.420 120.400 0.225 0.000 2.104 170 D HA -0.139 4.501 4.640 0.000 0.000 0.194 170 D C 1.858 178.362 176.300 0.340 0.000 0.994 170 D CA 1.515 55.677 54.000 0.269 0.000 0.830 170 D CB -0.073 40.908 40.800 0.302 0.000 0.959 170 D HN 0.270 nan 8.370 nan 0.000 0.452 171 L N -0.544 120.917 121.223 0.398 0.000 2.046 171 L HA -0.181 4.159 4.340 0.000 0.000 0.208 171 L C 2.367 179.540 176.870 0.505 0.000 1.077 171 L CA 1.162 56.290 54.840 0.479 0.000 0.747 171 L CB -0.677 41.618 42.059 0.394 0.000 0.896 171 L HN 0.198 nan 8.230 nan 0.000 0.432 172 Y N 1.456 121.912 120.300 0.260 0.000 2.128 172 Y HA -0.298 4.252 4.550 0.000 0.000 0.284 172 Y C 2.490 178.557 175.900 0.278 0.000 1.154 172 Y CA 1.852 60.099 58.100 0.246 0.000 1.149 172 Y CB -0.312 38.205 38.460 0.095 0.000 0.976 172 Y HN 0.205 nan 8.280 nan 0.000 0.505 173 N N 0.393 119.174 118.700 0.134 0.000 2.188 173 N HA -0.141 4.599 4.740 0.000 0.000 0.184 173 N C 1.715 177.217 175.510 -0.013 0.000 1.018 173 N CA 1.456 54.495 53.050 -0.018 0.000 0.858 173 N CB -0.246 38.298 38.487 0.095 0.000 0.989 173 N HN 0.447 nan 8.380 nan 0.000 0.426 174 K N -0.607 119.835 120.400 0.069 0.000 2.103 174 K HA -0.007 4.313 4.320 0.000 0.000 0.204 174 K C 1.205 177.623 176.600 -0.303 0.000 1.052 174 K CA 0.959 57.171 56.287 -0.124 0.000 0.945 174 K CB -0.028 32.385 32.500 -0.145 0.000 0.722 174 K HN 0.186 nan 8.250 nan 0.000 0.443 175 F N -1.975 117.977 119.950 0.004 0.000 2.637 175 F HA 0.167 4.694 4.527 0.000 0.000 0.284 175 F C 1.572 177.207 175.800 -0.276 0.000 1.105 175 F CA 0.085 57.997 58.000 -0.147 0.000 1.356 175 F CB 0.201 39.080 39.000 -0.200 0.000 1.096 175 F HN -0.138 nan 8.300 nan 0.000 0.616 176 F N -0.746 119.235 119.950 0.052 0.000 2.557 176 F HA 0.241 4.768 4.527 0.000 0.000 0.278 176 F C 2.401 178.140 175.800 -0.103 0.000 1.051 176 F CA 0.148 58.145 58.000 -0.005 0.000 1.357 176 F CB -0.319 38.699 39.000 0.030 0.000 1.104 176 F HN -0.370 nan 8.300 nan 0.000 0.654 177 R N 0.870 121.219 120.500 -0.251 0.000 2.070 177 R HA -0.102 4.238 4.340 0.000 0.000 0.233 177 R C 2.368 178.657 176.300 -0.019 0.000 1.137 177 R CA 1.785 57.712 56.100 -0.288 0.000 0.945 177 R CB -1.022 28.958 30.300 -0.534 0.000 0.845 177 R HN 0.374 nan 8.270 nan 0.000 0.430 178 G N -0.295 108.495 108.800 -0.017 0.000 2.446 178 G HA2 -0.345 3.615 3.960 0.000 0.000 0.217 178 G HA3 -0.345 3.615 3.960 0.000 0.000 0.217 178 G C 1.358 176.307 174.900 0.081 0.000 1.168 178 G CA 0.958 46.072 45.100 0.022 0.000 0.771 178 G HN 0.517 nan 8.290 nan 0.000 0.551 179 Y N 1.545 121.844 120.300 -0.000 0.000 2.133 179 Y HA -0.141 4.409 4.550 0.000 0.000 0.287 179 Y C 3.207 179.166 175.900 0.100 0.000 1.134 179 Y CA 2.262 60.379 58.100 0.029 0.000 1.133 179 Y CB -0.258 38.200 38.460 -0.004 0.000 0.987 179 Y HN 0.204 nan 8.280 nan 0.000 0.502 180 T N 0.920 115.757 114.554 0.472 0.000 2.684 180 T HA -0.253 4.098 4.350 0.000 0.000 0.267 180 T C 1.935 176.870 174.700 0.392 0.000 1.036 180 T CA 1.791 64.208 62.100 0.528 0.000 1.148 180 T CB -0.373 68.756 68.868 0.435 0.000 0.863 180 T HN 0.330 nan 8.240 nan 0.000 0.436 181 R N 1.080 121.715 120.500 0.225 0.000 2.115 181 R HA -0.064 4.277 4.340 0.000 0.000 0.230 181 R C 2.414 178.772 176.300 0.096 0.000 1.111 181 R CA 1.527 57.725 56.100 0.162 0.000 0.976 181 R CB -0.123 30.239 30.300 0.104 0.000 0.870 181 R HN 0.335 nan 8.270 nan 0.000 0.445 182 K N 0.221 120.632 120.400 0.018 0.000 2.031 182 K HA -0.217 4.103 4.320 0.000 0.000 0.205 182 K C 2.180 178.697 176.600 -0.138 0.000 1.049 182 K CA 1.643 57.885 56.287 -0.075 0.000 0.939 182 K CB -0.046 32.366 32.500 -0.148 0.000 0.717 182 K HN 0.039 nan 8.250 nan 0.000 0.438 183 Q N -0.363 119.307 119.800 -0.217 0.000 2.084 183 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 183 Q C 0.925 176.649 176.000 -0.460 0.000 0.978 183 Q CA 2.080 57.624 55.803 -0.432 0.000 0.844 183 Q CB -0.182 28.234 28.738 -0.536 0.000 0.898 183 Q HN 0.506 nan 8.270 nan 0.000 0.426 184 W N -1.487 119.785 121.300 -0.047 0.000 2.975 184 W HA 0.439 5.099 4.660 0.000 0.000 0.316 184 W C 1.009 177.529 176.519 0.003 0.000 1.131 184 W CA 0.099 57.428 57.345 -0.027 0.000 1.624 184 W CB 0.535 30.001 29.460 0.010 0.000 1.038 184 W HN 0.269 nan 8.180 nan 0.000 0.571 185 G N 1.252 110.165 108.800 0.188 0.000 2.179 185 G HA2 -0.236 3.725 3.960 0.000 0.000 0.257 185 G HA3 -0.236 3.725 3.960 0.000 0.000 0.257 185 G C -0.693 174.294 174.900 0.146 0.000 1.010 185 G CA 0.095 45.274 45.100 0.132 0.000 0.736 185 G HN 0.086 nan 8.290 nan 0.000 0.513 186 L N -0.285 121.048 121.223 0.183 0.000 2.482 186 L HA 0.519 4.859 4.340 0.000 0.000 0.263 186 L C -0.112 176.840 176.870 0.137 0.000 0.957 186 L CA -1.388 53.537 54.840 0.142 0.000 0.836 186 L CB 1.775 43.913 42.059 0.133 0.000 1.324 186 L HN 0.223 nan 8.230 nan 0.000 0.406 187 D N 3.913 124.378 120.400 0.107 0.000 2.449 187 D HA 0.126 4.766 4.640 0.000 0.000 0.236 187 D C -1.553 174.817 176.300 0.116 0.000 1.149 187 D CA -0.554 53.516 54.000 0.118 0.000 0.878 187 D CB 1.280 42.142 40.800 0.104 0.000 1.198 187 D HN 0.313 nan 8.370 nan 0.000 0.446 188 P HA -0.127 nan 4.420 nan 0.000 0.221 188 P C 0.898 178.248 177.300 0.084 0.000 1.145 188 P CA 1.004 64.196 63.100 0.154 0.000 0.795 188 P CB 0.005 31.898 31.700 0.321 0.000 0.775 189 S N -1.428 114.323 115.700 0.085 0.000 2.515 189 S HA -0.042 4.428 4.470 0.000 0.000 0.231 189 S C 1.463 176.071 174.600 0.014 0.000 0.987 189 S CA 0.775 58.994 58.200 0.032 0.000 0.936 189 S CB -0.641 62.579 63.200 0.033 0.000 0.766 189 S HN 0.036 nan 8.310 nan 0.000 0.528 190 E N 0.671 120.883 120.200 0.019 0.000 2.465 190 E HA 0.410 4.760 4.350 0.000 0.000 0.195 190 E C -0.298 176.286 176.600 -0.027 0.000 1.028 190 E CA -0.032 56.372 56.400 0.007 0.000 0.899 190 E CB 0.336 30.052 29.700 0.027 0.000 1.032 190 E HN 0.576 nan 8.360 nan 0.000 0.468 191 L N 0.549 121.739 121.223 -0.056 0.000 2.342 191 L HA 0.317 4.657 4.340 0.000 0.000 0.271 191 L C 0.492 177.307 176.870 -0.091 0.000 1.008 191 L CA -0.967 53.798 54.840 -0.125 0.000 0.818 191 L CB 1.853 43.765 42.059 -0.245 0.000 1.296 191 L HN -0.128 nan 8.230 nan 0.000 0.427 192 D N 1.242 121.586 120.400 -0.093 0.000 2.472 192 D HA 0.000 4.640 4.640 0.000 0.000 0.237 192 D C 0.900 177.165 176.300 -0.060 0.000 1.141 192 D CA 0.425 54.390 54.000 -0.058 0.000 0.875 192 D CB 1.791 42.569 40.800 -0.037 0.000 1.192 192 D HN 0.700 nan 8.370 nan 0.000 0.450 193 A N 3.113 125.905 122.820 -0.046 0.000 2.042 193 A HA -0.239 4.082 4.320 0.000 0.000 0.222 193 A C 2.212 179.772 177.584 -0.040 0.000 1.167 193 A CA 2.268 54.275 52.037 -0.050 0.000 0.649 193 A CB -0.633 18.336 19.000 -0.052 0.000 0.809 193 A HN 0.684 nan 8.150 nan 0.000 0.457 194 S N -0.572 115.112 115.700 -0.026 0.000 2.423 194 S HA -0.103 4.367 4.470 0.000 0.000 0.231 194 S C 1.691 176.292 174.600 0.001 0.000 1.014 194 S CA 1.242 59.435 58.200 -0.011 0.000 0.965 194 S CB -0.844 62.362 63.200 0.009 0.000 0.785 194 S HN 0.273 nan 8.310 nan 0.000 0.495 195 V N 3.022 122.939 119.914 0.005 0.000 2.237 195 V HA -0.165 3.955 4.120 0.000 0.000 0.245 195 V C 3.178 179.346 176.094 0.123 0.000 1.046 195 V CA 2.263 64.606 62.300 0.073 0.000 1.007 195 V CB -1.547 30.216 31.823 -0.100 0.000 0.638 195 V HN 0.872 nan 8.190 nan 0.000 0.445 196 T N -1.838 112.769 114.554 0.088 0.000 3.067 196 T HA 0.147 4.497 4.350 0.000 0.000 0.261 196 T C 1.746 176.465 174.700 0.032 0.000 1.110 196 T CA 0.901 63.083 62.100 0.137 0.000 1.113 196 T CB -0.080 68.843 68.868 0.091 0.000 0.917 196 T HN 0.413 nan 8.240 nan 0.000 0.499 197 A N 1.982 124.789 122.820 -0.021 0.000 2.067 197 A HA 0.043 4.363 4.320 0.000 0.000 0.219 197 A C 2.483 180.047 177.584 -0.034 0.000 1.158 197 A CA 0.827 52.832 52.037 -0.053 0.000 0.661 197 A CB -0.646 18.322 19.000 -0.054 0.000 0.801 197 A HN 0.524 nan 8.150 nan 0.000 0.452 198 R N -0.696 119.799 120.500 -0.007 0.000 2.127 198 R HA -0.068 4.272 4.340 0.000 0.000 0.238 198 R C -0.178 176.097 176.300 -0.043 0.000 1.134 198 R CA 1.112 57.199 56.100 -0.022 0.000 0.975 198 R CB -0.286 30.001 30.300 -0.022 0.000 0.865 198 R HN 0.335 nan 8.270 nan 0.000 0.447 199 V N 3.811 123.721 119.914 -0.006 0.000 2.294 199 V HA 0.207 4.327 4.120 0.000 0.000 0.272 199 V C -1.914 174.148 176.094 -0.054 0.000 1.027 199 V CA -1.891 60.364 62.300 -0.075 0.000 0.823 199 V CB 0.934 32.773 31.823 0.028 0.000 1.030 199 V HN 0.075 nan 8.190 nan 0.000 0.457 200 P HA 0.287 nan 4.420 nan 0.000 0.274 200 P C -0.191 177.043 177.300 -0.110 0.000 1.237 200 P CA -0.038 62.994 63.100 -0.113 0.000 0.793 200 P CB 0.987 32.617 31.700 -0.117 0.000 0.977 201 T N 0.707 115.187 114.554 -0.123 0.000 2.907 201 T HA 0.612 4.962 4.350 0.000 0.000 0.284 201 T C 0.196 174.848 174.700 -0.080 0.000 1.004 201 T CA -0.862 61.159 62.100 -0.133 0.000 1.063 201 T CB 1.324 70.041 68.868 -0.252 0.000 0.992 201 T HN 0.355 nan 8.240 nan 0.000 0.483 202 R N 0.254 120.743 120.500 -0.018 0.000 2.807 202 R HA 0.577 4.917 4.340 0.000 0.000 0.276 202 R C 0.896 177.274 176.300 0.130 0.000 0.979 202 R CA -0.762 55.349 56.100 0.019 0.000 0.928 202 R CB 1.648 31.925 30.300 -0.038 0.000 1.191 202 R HN 0.892 nan 8.270 nan 0.000 0.471 203 T N -3.102 111.499 114.554 0.078 0.000 3.001 203 T HA 0.008 4.358 4.350 0.000 0.000 0.251 203 T C 0.754 175.410 174.700 -0.073 0.000 1.040 203 T CA -0.182 61.940 62.100 0.038 0.000 0.985 203 T CB -0.219 68.659 68.868 0.016 0.000 1.011 203 T HN 0.582 nan 8.240 nan 0.000 0.509 204 N N 2.163 120.818 118.700 -0.075 0.000 2.381 204 N HA 0.205 4.945 4.740 0.000 0.000 0.289 204 N C 0.392 175.846 175.510 -0.093 0.000 1.288 204 N CA -0.803 52.183 53.050 -0.107 0.000 0.960 204 N CB 0.285 38.715 38.487 -0.096 0.000 1.116 204 N HN 0.167 nan 8.380 nan 0.000 0.557 205 R N -1.907 118.537 120.500 -0.092 0.000 2.613 205 R HA 0.208 4.548 4.340 0.000 0.000 0.361 205 R C -0.749 175.503 176.300 -0.079 0.000 1.072 205 R CA -0.500 55.550 56.100 -0.083 0.000 1.089 205 R CB -0.147 30.105 30.300 -0.081 0.000 1.343 205 R HN 0.540 nan 8.270 nan 0.000 0.571 206 D N 2.333 122.684 120.400 -0.082 0.000 2.401 206 D HA -0.046 4.594 4.640 0.000 0.000 0.254 206 D C 0.409 176.651 176.300 -0.095 0.000 1.192 206 D CA 0.225 54.174 54.000 -0.085 0.000 0.885 206 D CB 0.738 41.486 40.800 -0.087 0.000 1.147 206 D HN 0.214 nan 8.370 nan 0.000 0.478 207 N N 2.768 121.411 118.700 -0.096 0.000 2.214 207 N HA 0.014 4.754 4.740 0.000 0.000 0.214 207 N C -0.126 175.311 175.510 -0.122 0.000 1.132 207 N CA -0.346 52.641 53.050 -0.106 0.000 0.856 207 N CB 0.074 38.503 38.487 -0.097 0.000 1.020 207 N HN 0.158 nan 8.380 nan 0.000 0.509 208 R N -0.315 120.112 120.500 -0.123 0.000 2.594 208 R HA 0.104 4.444 4.340 0.000 0.000 0.272 208 R C 0.318 176.512 176.300 -0.178 0.000 1.074 208 R CA -0.448 55.571 56.100 -0.134 0.000 1.105 208 R CB 0.444 30.684 30.300 -0.100 0.000 1.008 208 R HN 0.043 nan 8.270 nan 0.000 0.472 209 Y N 1.110 121.153 120.300 -0.427 0.000 2.395 209 Y HA 0.091 4.641 4.550 0.000 0.000 0.293 209 Y C -0.242 175.167 175.900 -0.819 0.000 1.123 209 Y CA 0.928 58.623 58.100 -0.674 0.000 1.227 209 Y CB 0.431 38.347 38.460 -0.907 0.000 1.012 209 Y HN 0.368 nan 8.280 nan 0.000 0.552 210 F N -1.791 118.095 119.950 -0.107 0.000 2.520 210 F HA 0.547 5.074 4.527 0.000 0.000 0.322 210 F C 0.647 176.345 175.800 -0.170 0.000 1.103 210 F CA -0.699 57.167 58.000 -0.223 0.000 0.926 210 F CB 1.598 40.400 39.000 -0.330 0.000 1.154 210 F HN -0.225 nan 8.300 nan 0.000 0.453 211 A N 0.755 123.585 122.820 0.017 0.000 2.387 211 A HA 0.212 4.532 4.320 0.000 0.000 0.234 211 A C -0.077 177.481 177.584 -0.045 0.000 1.253 211 A CA -0.282 51.734 52.037 -0.035 0.000 0.894 211 A CB -0.686 18.277 19.000 -0.061 0.000 0.963 211 A HN 0.734 nan 8.150 nan 0.000 0.508 212 D N -0.042 120.346 120.400 -0.021 0.000 2.443 212 D HA 0.120 4.760 4.640 0.000 0.000 0.234 212 D C 1.288 177.501 176.300 -0.146 0.000 1.172 212 D CA 0.888 54.851 54.000 -0.062 0.000 0.878 212 D CB 0.588 41.368 40.800 -0.033 0.000 1.204 212 D HN 0.128 nan 8.370 nan 0.000 0.453 213 T N 0.426 114.839 114.554 -0.235 0.000 2.777 213 T HA -0.133 4.217 4.350 0.000 0.000 0.266 213 T C 0.276 174.554 174.700 -0.704 0.000 1.040 213 T CA 1.168 62.974 62.100 -0.490 0.000 1.141 213 T CB -0.210 68.262 68.868 -0.660 0.000 0.868 213 T HN 0.344 nan 8.240 nan 0.000 0.444 214 Y N 1.617 121.723 120.300 -0.323 0.000 2.402 214 Y HA 0.495 5.046 4.550 0.000 0.000 0.332 214 Y C 0.110 175.789 175.900 -0.368 0.000 0.960 214 Y CA -0.981 56.774 58.100 -0.576 0.000 1.228 214 Y CB 0.708 38.537 38.460 -1.052 0.000 1.120 214 Y HN 0.007 nan 8.280 nan 0.000 0.491 215 Q N 3.066 122.788 119.800 -0.130 0.000 2.363 215 Q HA 0.835 5.175 4.340 0.000 0.000 0.265 215 Q C -1.079 175.016 176.000 0.157 0.000 1.032 215 Q CA -0.784 55.050 55.803 0.052 0.000 0.746 215 Q CB 2.110 30.882 28.738 0.056 0.000 1.237 215 Q HN 0.776 nan 8.270 nan 0.000 0.475 216 A N 2.789 125.812 122.820 0.338 0.000 2.608 216 A HA 0.750 5.070 4.320 0.000 0.000 0.292 216 A C -1.420 176.583 177.584 0.700 0.000 1.066 216 A CA -0.763 51.559 52.037 0.475 0.000 0.676 216 A CB 1.554 20.789 19.000 0.393 0.000 1.277 216 A HN 0.518 nan 8.150 nan 0.000 0.413 217 M N 1.361 121.315 119.600 0.591 0.000 2.404 217 M HA 0.396 4.876 4.480 0.000 0.000 0.338 217 M C -2.590 173.798 176.300 0.147 0.000 1.150 217 M CA -2.503 53.017 55.300 0.366 0.000 1.016 217 M CB 0.816 33.522 32.600 0.175 0.000 1.672 217 M HN 0.278 nan 8.290 nan 0.000 0.448 218 P HA -0.018 nan 4.420 nan 0.000 0.261 218 P C 0.850 177.890 177.300 -0.433 0.000 1.183 218 P CA -0.084 62.632 63.100 -0.640 0.000 0.761 218 P CB 0.299 31.550 31.700 -0.748 0.000 0.785 219 L N 4.443 125.382 121.223 -0.473 0.000 2.079 219 L HA -0.167 4.173 4.340 0.000 0.000 0.210 219 L C 1.308 177.857 176.870 -0.535 0.000 1.081 219 L CA 2.084 56.641 54.840 -0.471 0.000 0.752 219 L CB -0.785 40.911 42.059 -0.605 0.000 0.896 219 L HN 0.453 nan 8.230 nan 0.000 0.433 220 H N -0.563 118.398 119.070 -0.182 0.000 2.486 220 H HA 0.537 5.093 4.556 0.000 0.000 0.284 220 H C 0.928 176.157 175.328 -0.166 0.000 1.103 220 H CA 0.335 56.306 56.048 -0.129 0.000 1.089 220 H CB -0.394 29.310 29.762 -0.097 0.000 1.603 220 H HN 0.329 nan 8.280 nan 0.000 0.557 221 G N 0.086 108.768 108.800 -0.196 0.000 2.746 221 G HA2 -0.281 3.679 3.960 0.000 0.000 0.685 221 G HA3 -0.281 3.679 3.960 0.000 0.000 0.685 221 G C 0.194 174.918 174.900 -0.292 0.000 1.350 221 G CA -0.307 44.634 45.100 -0.266 0.000 0.837 221 G HN 0.275 nan 8.290 nan 0.000 0.564 222 Y N 0.232 120.456 120.300 -0.126 0.000 2.200 222 Y HA -0.058 4.492 4.550 0.000 0.000 0.290 222 Y C 3.404 179.330 175.900 0.043 0.000 1.137 222 Y CA 2.271 60.330 58.100 -0.069 0.000 1.163 222 Y CB -0.534 37.938 38.460 0.019 0.000 0.988 222 Y HN 0.633 nan 8.280 nan 0.000 0.518 223 T N 0.260 114.895 114.554 0.135 0.000 2.720 223 T HA -0.184 4.166 4.350 0.000 0.000 0.268 223 T C 1.974 176.721 174.700 0.079 0.000 1.037 223 T CA 1.299 63.468 62.100 0.115 0.000 1.144 223 T CB -0.173 68.654 68.868 -0.068 0.000 0.864 223 T HN 0.216 nan 8.240 nan 0.000 0.444 224 R N 0.728 121.230 120.500 0.004 0.000 2.105 224 R HA 0.001 4.341 4.340 0.000 0.000 0.239 224 R C 2.446 178.712 176.300 -0.058 0.000 1.135 224 R CA 1.140 57.229 56.100 -0.019 0.000 0.967 224 R CB -0.756 29.536 30.300 -0.014 0.000 0.861 224 R HN 0.478 nan 8.270 nan 0.000 0.442 225 M N -0.399 119.130 119.600 -0.119 0.000 2.132 225 M HA -0.116 4.364 4.480 0.000 0.000 0.263 225 M C 1.676 177.808 176.300 -0.280 0.000 1.065 225 M CA 1.667 56.830 55.300 -0.230 0.000 1.122 225 M CB -0.140 32.243 32.600 -0.362 0.000 1.365 225 M HN -0.033 nan 8.290 nan 0.000 0.411 226 F N 0.887 120.720 119.950 -0.196 0.000 2.171 226 F HA -0.213 4.314 4.527 0.000 0.000 0.300 226 F C 2.539 178.215 175.800 -0.206 0.000 1.090 226 F CA 1.614 59.470 58.000 -0.240 0.000 1.293 226 F CB -0.334 38.540 39.000 -0.210 0.000 1.013 226 F HN 0.269 nan 8.300 nan 0.000 0.486 227 Q N -0.117 119.703 119.800 0.033 0.000 2.119 227 Q HA -0.182 4.159 4.340 0.000 0.000 0.201 227 Q C 1.916 177.880 176.000 -0.060 0.000 0.972 227 Q CA 1.313 57.111 55.803 -0.008 0.000 0.847 227 Q CB -0.169 28.572 28.738 0.004 0.000 0.903 227 Q HN 0.321 nan 8.270 nan 0.000 0.433 228 N N 0.225 118.873 118.700 -0.085 0.000 2.120 228 N HA -0.128 4.612 4.740 0.000 0.000 0.188 228 N C 1.551 176.944 175.510 -0.194 0.000 1.024 228 N CA 1.170 54.179 53.050 -0.068 0.000 0.852 228 N CB -0.138 38.360 38.487 0.018 0.000 1.003 228 N HN 0.252 nan 8.380 nan 0.000 0.424 229 M N -0.009 119.308 119.600 -0.472 0.000 2.159 229 M HA -0.066 4.414 4.480 0.000 0.000 0.263 229 M C 0.886 176.982 176.300 -0.340 0.000 1.063 229 M CA 1.240 56.085 55.300 -0.758 0.000 1.110 229 M CB -0.010 32.110 32.600 -0.800 0.000 1.374 229 M HN 0.049 nan 8.290 nan 0.000 0.411 230 L N -0.707 120.408 121.223 -0.180 0.000 2.741 230 L HA 0.094 4.434 4.340 0.000 0.000 0.237 230 L C 1.913 178.747 176.870 -0.060 0.000 1.178 230 L CA -0.213 54.567 54.840 -0.099 0.000 0.973 230 L CB -0.262 41.758 42.059 -0.064 0.000 1.255 230 L HN 0.265 nan 8.230 nan 0.000 0.498 231 S N -2.233 113.433 115.700 -0.058 0.000 2.527 231 S HA -0.037 4.433 4.470 0.000 0.000 0.222 231 S C 1.158 175.755 174.600 -0.004 0.000 0.985 231 S CA -0.116 58.070 58.200 -0.023 0.000 0.921 231 S CB -0.049 63.142 63.200 -0.015 0.000 0.772 231 S HN 0.335 nan 8.310 nan 0.000 0.529 232 S N 3.166 118.865 115.700 -0.002 0.000 2.558 232 S HA 0.139 4.609 4.470 0.000 0.000 0.291 232 S C -1.594 173.021 174.600 0.026 0.000 1.306 232 S CA -0.906 57.304 58.200 0.017 0.000 1.056 232 S CB 0.549 63.761 63.200 0.020 0.000 0.836 232 S HN 0.188 nan 8.310 nan 0.000 0.504 233 P HA 0.018 nan 4.420 nan 0.000 0.228 233 P C 0.468 177.805 177.300 0.061 0.000 1.151 233 P CA 0.651 63.775 63.100 0.041 0.000 0.770 233 P CB 0.008 31.730 31.700 0.037 0.000 0.786 234 N N -0.586 118.153 118.700 0.066 0.000 2.467 234 N HA 0.058 4.798 4.740 0.000 0.000 0.184 234 N C 0.418 175.997 175.510 0.114 0.000 1.106 234 N CA 0.410 53.517 53.050 0.096 0.000 0.892 234 N CB -0.029 38.514 38.487 0.094 0.000 0.969 234 N HN 0.263 nan 8.380 nan 0.000 0.454 235 I N 1.372 121.985 120.570 0.073 0.000 2.330 235 I HA 0.179 4.349 4.170 0.000 0.000 0.289 235 I C -0.198 175.947 176.117 0.046 0.000 1.001 235 I CA -0.813 60.515 61.300 0.046 0.000 1.193 235 I CB 1.029 39.028 38.000 -0.001 0.000 1.345 235 I HN -0.399 nan 8.210 nan 0.000 0.461 236 K N 6.046 126.474 120.400 0.046 0.000 2.211 236 K HA 0.514 4.834 4.320 0.000 0.000 0.275 236 K C -0.648 175.916 176.600 -0.060 0.000 1.024 236 K CA -0.652 55.652 56.287 0.029 0.000 0.887 236 K CB 2.118 34.682 32.500 0.107 0.000 1.084 236 K HN 0.269 nan 8.250 nan 0.000 0.463 237 V N 4.238 124.127 119.914 -0.042 0.000 2.398 237 V HA 0.460 4.580 4.120 0.000 0.000 0.286 237 V C -0.073 175.982 176.094 -0.065 0.000 1.026 237 V CA -0.720 61.538 62.300 -0.069 0.000 0.868 237 V CB 1.472 33.260 31.823 -0.058 0.000 0.982 237 V HN 0.692 nan 8.190 nan 0.000 0.443 238 M N 5.963 125.508 119.600 -0.091 0.000 2.197 238 M HA 0.609 5.090 4.480 0.000 0.000 0.301 238 M C -1.631 174.614 176.300 -0.091 0.000 0.987 238 M CA -0.345 54.910 55.300 -0.075 0.000 0.921 238 M CB 1.561 34.116 32.600 -0.076 0.000 1.569 238 M HN 0.523 nan 8.290 nan 0.000 0.431 239 L N 3.105 124.280 121.223 -0.080 0.000 2.303 239 L HA 0.531 4.871 4.340 0.000 0.000 0.266 239 L C 0.628 177.447 176.870 -0.085 0.000 1.011 239 L CA -0.774 54.004 54.840 -0.104 0.000 0.818 239 L CB 1.596 43.589 42.059 -0.110 0.000 1.326 239 L HN 0.921 nan 8.230 nan 0.000 0.435 240 N N -0.036 118.601 118.700 -0.105 0.000 2.741 240 N HA -0.158 4.582 4.740 0.000 0.000 0.250 240 N C -0.970 174.505 175.510 -0.058 0.000 1.115 240 N CA 1.070 54.074 53.050 -0.078 0.000 0.724 240 N CB -0.667 37.788 38.487 -0.054 0.000 1.090 240 N HN 0.759 nan 8.380 nan 0.000 0.558 241 T N 0.239 114.753 114.554 -0.066 0.000 2.890 241 T HA 0.165 4.515 4.350 0.000 0.000 0.295 241 T C -0.866 173.805 174.700 -0.048 0.000 0.993 241 T CA -0.746 61.324 62.100 -0.050 0.000 0.979 241 T CB 1.735 70.575 68.868 -0.048 0.000 0.967 241 T HN 0.085 nan 8.240 nan 0.000 0.441 242 D N 1.618 121.987 120.400 -0.051 0.000 2.389 242 D HA 0.041 4.681 4.640 0.000 0.000 0.247 242 D C 1.151 177.401 176.300 -0.084 0.000 1.128 242 D CA -0.294 53.673 54.000 -0.055 0.000 0.884 242 D CB 0.800 41.532 40.800 -0.113 0.000 1.194 242 D HN 0.725 nan 8.370 nan 0.000 0.441 243 Y N 3.121 123.363 120.300 -0.096 0.000 2.315 243 Y HA -0.110 4.441 4.550 0.000 0.000 0.288 243 Y C 2.033 177.849 175.900 -0.142 0.000 1.154 243 Y CA 0.818 58.836 58.100 -0.137 0.000 1.229 243 Y CB -0.189 38.196 38.460 -0.125 0.000 0.980 243 Y HN 0.282 nan 8.280 nan 0.000 0.540 244 R N 0.852 120.804 120.500 -0.913 0.000 2.115 244 R HA -0.093 4.247 4.340 0.000 0.000 0.230 244 R C 1.894 177.994 176.300 -0.333 0.000 1.111 244 R CA 1.549 57.237 56.100 -0.687 0.000 0.976 244 R CB -0.236 29.659 30.300 -0.674 0.000 0.870 244 R HN 0.565 nan 8.270 nan 0.000 0.445 245 E N -0.204 119.856 120.200 -0.233 0.000 2.401 245 E HA -0.162 4.188 4.350 0.000 0.000 0.199 245 E C 0.970 177.477 176.600 -0.155 0.000 1.023 245 E CA 0.660 56.995 56.400 -0.108 0.000 0.859 245 E CB 0.165 29.841 29.700 -0.040 0.000 0.780 245 E HN 0.213 nan 8.360 nan 0.000 0.523 246 I N -0.763 119.627 120.570 -0.300 0.000 4.471 246 I HA 0.130 4.300 4.170 0.000 0.000 0.326 246 I C 1.824 177.594 176.117 -0.578 0.000 1.300 246 I CA 0.124 61.123 61.300 -0.503 0.000 1.237 246 I CB 0.249 38.103 38.000 -0.243 0.000 1.195 246 I HN -0.064 nan 8.210 nan 0.000 0.427 247 A N 0.340 122.979 122.820 -0.301 0.000 1.940 247 A HA -0.225 4.095 4.320 0.000 0.000 0.219 247 A C 1.868 179.428 177.584 -0.040 0.000 1.176 247 A CA 2.320 54.331 52.037 -0.043 0.000 0.631 247 A CB -0.656 18.364 19.000 0.033 0.000 0.814 247 A HN 0.405 nan 8.150 nan 0.000 0.446 248 D N -0.363 119.912 120.400 -0.208 0.000 2.084 248 D HA -0.119 4.521 4.640 0.000 0.000 0.196 248 D C 1.613 177.904 176.300 -0.014 0.000 0.985 248 D CA 1.910 55.865 54.000 -0.075 0.000 0.826 248 D CB -0.505 40.310 40.800 0.026 0.000 0.978 248 D HN 0.696 nan 8.370 nan 0.000 0.456 249 F N -0.491 119.507 119.950 0.079 0.000 2.714 249 F HA 0.338 4.865 4.527 0.000 0.000 0.294 249 F C 0.851 176.717 175.800 0.109 0.000 1.120 249 F CA -0.440 57.603 58.000 0.072 0.000 1.398 249 F CB -0.342 38.688 39.000 0.050 0.000 1.120 249 F HN -0.243 nan 8.300 nan 0.000 0.589 250 I N 4.694 125.285 120.570 0.035 0.000 2.325 250 I HA 0.263 4.433 4.170 0.000 0.000 0.291 250 I C -2.301 173.989 176.117 0.288 0.000 1.019 250 I CA -2.013 59.415 61.300 0.214 0.000 1.302 250 I CB 0.990 39.111 38.000 0.201 0.000 1.401 250 I HN -0.182 nan 8.210 nan 0.000 0.485 251 P HA 0.313 nan 4.420 nan 0.000 0.287 251 P C -1.167 176.310 177.300 0.295 0.000 1.281 251 P CA -0.078 63.110 63.100 0.146 0.000 0.781 251 P CB 0.524 32.261 31.700 0.062 0.000 0.903 252 F N 0.421 120.431 119.950 0.101 0.000 2.599 252 F HA 0.512 5.039 4.527 0.000 0.000 0.311 252 F C 0.867 176.690 175.800 0.038 0.000 1.076 252 F CA -1.011 57.054 58.000 0.109 0.000 0.937 252 F CB 0.994 40.054 39.000 0.100 0.000 1.282 252 F HN -0.013 nan 8.300 nan 0.000 0.460 253 Q N 0.543 120.409 119.800 0.110 0.000 2.250 253 Q HA 0.097 4.437 4.340 0.000 0.000 0.200 253 Q C -0.405 175.641 176.000 0.076 0.000 0.941 253 Q CA 1.159 56.956 55.803 -0.009 0.000 0.872 253 Q CB -0.044 28.666 28.738 -0.048 0.000 0.965 253 Q HN 0.857 nan 8.270 nan 0.000 0.480 254 H N -1.042 118.039 119.070 0.018 0.000 2.954 254 H HA 0.517 5.073 4.556 0.000 0.000 0.361 254 H C -1.555 173.896 175.328 0.205 0.000 1.122 254 H CA -0.465 55.603 56.048 0.034 0.000 1.217 254 H CB 1.306 30.920 29.762 -0.245 0.000 1.776 254 H HN -0.015 nan 8.280 nan 0.000 0.533 255 M N 6.135 125.554 119.600 -0.302 0.000 2.268 255 M HA 0.496 4.977 4.480 0.000 0.000 0.344 255 M C -1.482 174.600 176.300 -0.364 0.000 1.106 255 M CA -0.674 54.469 55.300 -0.261 0.000 1.010 255 M CB 0.754 33.232 32.600 -0.203 0.000 1.649 255 M HN 0.604 nan 8.290 nan 0.000 0.443 256 I N 5.106 125.576 120.570 -0.166 0.000 2.339 256 I HA 0.269 4.439 4.170 0.000 0.000 0.290 256 I C -1.528 174.444 176.117 -0.241 0.000 0.994 256 I CA -0.665 60.545 61.300 -0.149 0.000 1.191 256 I CB 1.260 39.251 38.000 -0.015 0.000 1.343 256 I HN 0.644 nan 8.210 nan 0.000 0.458 257 Y N 5.648 125.634 120.300 -0.524 0.000 2.335 257 Y HA 0.333 4.883 4.550 0.000 0.000 0.338 257 Y C 0.848 176.542 175.900 -0.343 0.000 0.977 257 Y CA -0.591 57.163 58.100 -0.578 0.000 1.114 257 Y CB 1.668 39.531 38.460 -0.994 0.000 1.182 257 Y HN 0.606 nan 8.280 nan 0.000 0.463 258 T N 1.245 115.299 114.554 -0.833 0.000 3.145 258 T HA 0.402 4.752 4.350 0.000 0.000 0.281 258 T C 0.661 174.960 174.700 -0.668 0.000 1.003 258 T CA 0.145 61.922 62.100 -0.538 0.000 0.901 258 T CB -0.430 68.272 68.868 -0.275 0.000 1.112 258 T HN 0.754 nan 8.240 nan 0.000 0.535 259 G N 2.509 110.483 108.800 -1.376 0.000 2.563 259 G HA2 0.579 4.539 3.960 0.000 0.000 0.283 259 G HA3 0.579 4.539 3.960 0.000 0.000 0.283 259 G C -2.730 172.009 174.900 -0.268 0.000 1.309 259 G CA -1.627 43.004 45.100 -0.781 0.000 1.022 259 G HN 0.234 nan 8.290 nan 0.000 0.501 260 P HA 0.110 nan 4.420 nan 0.000 0.276 260 P C 1.342 178.811 177.300 0.282 0.000 1.235 260 P CA -0.284 62.846 63.100 0.049 0.000 0.772 260 P CB 1.391 32.883 31.700 -0.347 0.000 0.871 261 V N 1.340 121.461 119.914 0.345 0.000 2.407 261 V HA -0.243 3.877 4.120 0.000 0.000 0.248 261 V C 1.879 177.933 176.094 -0.067 0.000 1.055 261 V CA 2.318 64.769 62.300 0.252 0.000 1.049 261 V CB -1.614 30.373 31.823 0.272 0.000 0.662 261 V HN 0.464 nan 8.190 nan 0.000 0.455 262 D N 2.371 122.576 120.400 -0.324 0.000 2.117 262 D HA -0.158 4.482 4.640 0.000 0.000 0.197 262 D C 2.094 177.921 176.300 -0.788 0.000 0.987 262 D CA 2.044 55.608 54.000 -0.728 0.000 0.829 262 D CB -0.663 39.883 40.800 -0.423 0.000 0.961 262 D HN 0.570 nan 8.370 nan 0.000 0.460 263 A N 0.311 122.692 122.820 -0.731 0.000 1.892 263 A HA -0.144 4.176 4.320 0.000 0.000 0.218 263 A C 2.224 179.573 177.584 -0.391 0.000 1.188 263 A CA 1.573 53.138 52.037 -0.787 0.000 0.631 263 A CB -1.456 17.440 19.000 -0.174 0.000 0.822 263 A HN 0.303 nan 8.150 nan 0.000 0.447 264 F N -0.998 118.717 119.950 -0.391 0.000 2.216 264 F HA -0.076 4.451 4.527 0.000 0.000 0.300 264 F C 1.081 176.553 175.800 -0.548 0.000 1.085 264 F CA 1.284 58.948 58.000 -0.561 0.000 1.326 264 F CB -0.057 38.334 39.000 -1.015 0.000 1.027 264 F HN 0.189 nan 8.300 nan 0.000 0.497 265 F N 0.695 120.659 119.950 0.025 0.000 2.750 265 F HA 0.173 4.701 4.527 0.000 0.000 0.297 265 F C 0.283 176.058 175.800 -0.042 0.000 1.138 265 F CA -0.514 57.512 58.000 0.044 0.000 1.346 265 F CB -0.310 38.826 39.000 0.227 0.000 0.965 265 F HN -0.125 nan 8.300 nan 0.000 0.514 266 D N -0.085 120.286 120.400 -0.047 0.000 2.811 266 D HA -0.297 4.343 4.640 0.000 0.000 0.231 266 D C 0.301 176.757 176.300 0.261 0.000 1.157 266 D CA 1.034 55.065 54.000 0.051 0.000 0.716 266 D CB -1.815 39.036 40.800 0.084 0.000 1.077 266 D HN 0.468 nan 8.370 nan 0.000 0.428 267 F N -3.134 116.946 119.950 0.218 0.000 3.084 267 F HA -0.390 4.137 4.527 0.000 0.000 0.286 267 F C 2.384 178.321 175.800 0.229 0.000 0.855 267 F CA 0.615 58.776 58.000 0.268 0.000 1.091 267 F CB -2.713 36.390 39.000 0.172 0.000 1.177 267 F HN 0.452 nan 8.300 nan 0.000 0.542 268 C N -2.279 117.157 119.300 0.227 0.000 2.409 268 C HA -0.160 4.300 4.460 0.000 0.000 0.288 268 C C 1.902 176.789 174.990 -0.172 0.000 1.395 268 C CA 1.022 60.005 59.018 -0.058 0.000 1.792 268 C CB -1.376 26.197 27.740 -0.278 0.000 1.847 268 C HN 0.541 nan 8.230 nan 0.000 0.534 269 Y N 2.076 122.434 120.300 0.096 0.000 2.584 269 Y HA 0.495 5.045 4.550 0.000 0.000 0.254 269 Y C 1.446 177.430 175.900 0.141 0.000 1.177 269 Y CA 0.070 58.147 58.100 -0.039 0.000 1.216 269 Y CB -0.396 37.807 38.460 -0.428 0.000 1.172 269 Y HN 0.675 nan 8.280 nan 0.000 0.529 270 G N 0.591 109.631 108.800 0.399 0.000 2.663 270 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 270 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 270 G C -1.018 174.171 174.900 0.483 0.000 1.288 270 G CA -1.262 44.051 45.100 0.355 0.000 0.836 270 G HN 0.082 nan 8.290 nan 0.000 0.584 271 K N 0.029 120.646 120.400 0.361 0.000 2.416 271 K HA 0.397 4.717 4.320 0.000 0.000 0.283 271 K C 0.731 177.549 176.600 0.363 0.000 1.037 271 K CA -0.294 56.235 56.287 0.402 0.000 0.995 271 K CB 0.360 32.996 32.500 0.227 0.000 0.938 271 K HN 0.573 nan 8.250 nan 0.000 0.475 272 L N 8.008 129.460 121.223 0.381 0.000 2.315 272 L HA 0.273 4.613 4.340 0.000 0.000 0.283 272 L C -2.028 175.005 176.870 0.273 0.000 1.089 272 L CA -2.065 52.915 54.840 0.234 0.000 0.833 272 L CB 0.975 43.084 42.059 0.082 0.000 1.170 272 L HN 0.590 nan 8.230 nan 0.000 0.442 273 P HA 0.064 nan 4.420 nan 0.000 0.266 273 P C -1.557 175.854 177.300 0.185 0.000 1.215 273 P CA 0.513 63.752 63.100 0.232 0.000 0.763 273 P CB 0.140 31.958 31.700 0.197 0.000 0.806 274 Y N 2.050 122.506 120.300 0.259 0.000 2.409 274 Y HA 0.523 5.073 4.550 0.000 0.000 0.343 274 Y C 0.881 176.886 175.900 0.175 0.000 0.973 274 Y CA -0.971 57.262 58.100 0.222 0.000 1.064 274 Y CB 1.771 40.334 38.460 0.172 0.000 1.207 274 Y HN 0.161 nan 8.280 nan 0.000 0.452 275 R N 1.176 121.878 120.500 0.338 0.000 2.459 275 R HA 0.580 4.920 4.340 0.000 0.000 0.281 275 R C -0.238 176.207 176.300 0.241 0.000 1.050 275 R CA -0.062 56.166 56.100 0.214 0.000 1.055 275 R CB 1.219 31.541 30.300 0.038 0.000 1.045 275 R HN 0.706 nan 8.270 nan 0.000 0.495 276 S N 2.153 117.943 115.700 0.150 0.000 2.801 276 S HA 0.791 5.261 4.470 0.000 0.000 0.312 276 S C -1.336 173.416 174.600 0.253 0.000 1.112 276 S CA -0.733 57.559 58.200 0.154 0.000 0.943 276 S CB 0.624 63.825 63.200 0.001 0.000 1.269 276 S HN 0.401 nan 8.310 nan 0.000 0.558 277 L N 1.137 122.552 121.223 0.320 0.000 2.466 277 L HA 0.544 4.884 4.340 0.000 0.000 0.258 277 L C -0.877 175.900 176.870 -0.155 0.000 0.973 277 L CA -0.527 54.327 54.840 0.023 0.000 0.826 277 L CB 2.202 44.148 42.059 -0.189 0.000 1.372 277 L HN 0.682 nan 8.230 nan 0.000 0.409 278 E N 1.551 121.606 120.200 -0.242 0.000 2.195 278 E HA 0.574 4.924 4.350 0.000 0.000 0.271 278 E C -1.813 174.595 176.600 -0.319 0.000 0.923 278 E CA -0.595 55.689 56.400 -0.194 0.000 0.790 278 E CB 1.463 31.131 29.700 -0.055 0.000 1.155 278 E HN 0.344 nan 8.360 nan 0.000 0.402 279 F N 2.733 122.790 119.950 0.179 0.000 2.467 279 F HA 0.437 4.964 4.527 0.000 0.000 0.336 279 F C 0.484 176.315 175.800 0.051 0.000 1.123 279 F CA -0.935 57.122 58.000 0.094 0.000 0.964 279 F CB 1.447 40.445 39.000 -0.003 0.000 1.136 279 F HN 0.199 nan 8.300 nan 0.000 0.447 280 R N 3.718 124.358 120.500 0.234 0.000 2.246 280 R HA 0.291 4.631 4.340 0.000 0.000 0.332 280 R C -0.910 175.454 176.300 0.107 0.000 0.974 280 R CA -0.510 55.694 56.100 0.174 0.000 0.837 280 R CB 0.409 30.830 30.300 0.202 0.000 1.145 280 R HN 0.735 nan 8.270 nan 0.000 0.467 281 H N 2.699 121.889 119.070 0.199 0.000 2.472 281 H HA 0.306 4.862 4.556 0.000 0.000 0.335 281 H C -0.460 174.937 175.328 0.114 0.000 1.136 281 H CA -0.184 55.962 56.048 0.164 0.000 1.264 281 H CB 1.906 31.735 29.762 0.111 0.000 1.486 281 H HN 0.549 nan 8.280 nan 0.000 0.517 282 E N 0.641 120.973 120.200 0.220 0.000 2.356 282 E HA 0.318 4.669 4.350 0.000 0.000 0.275 282 E C -1.025 175.570 176.600 -0.007 0.000 0.904 282 E CA -0.746 55.693 56.400 0.064 0.000 0.757 282 E CB 2.435 32.177 29.700 0.070 0.000 1.232 282 E HN 0.423 nan 8.360 nan 0.000 0.442 283 T N 1.341 115.800 114.554 -0.158 0.000 2.829 283 T HA 0.467 4.817 4.350 0.000 0.000 0.280 283 T C -1.218 173.299 174.700 -0.305 0.000 0.999 283 T CA -0.667 61.351 62.100 -0.136 0.000 0.983 283 T CB 0.708 69.529 68.868 -0.078 0.000 0.968 283 T HN 0.336 nan 8.240 nan 0.000 0.446 284 H N 0.528 119.607 119.070 0.016 0.000 2.622 284 H HA 0.368 4.924 4.556 0.000 0.000 0.363 284 H C -0.553 174.788 175.328 0.021 0.000 1.151 284 H CA -0.709 55.353 56.048 0.023 0.000 1.184 284 H CB 1.349 31.127 29.762 0.026 0.000 1.643 284 H HN 0.449 nan 8.280 nan 0.000 0.531 285 D N 1.569 122.062 120.400 0.154 0.000 2.845 285 D HA 0.133 4.773 4.640 0.000 0.000 0.235 285 D C -0.670 175.696 176.300 0.110 0.000 1.158 285 D CA 0.299 54.367 54.000 0.113 0.000 0.990 285 D CB -0.125 40.733 40.800 0.097 0.000 1.094 285 D HN 0.444 nan 8.370 nan 0.000 0.486 286 T N -0.715 113.902 114.554 0.105 0.000 2.840 286 T HA 0.169 4.519 4.350 0.000 0.000 0.317 286 T C 0.620 175.360 174.700 0.067 0.000 1.401 286 T CA -0.514 61.633 62.100 0.078 0.000 1.028 286 T CB 1.425 70.328 68.868 0.059 0.000 1.317 286 T HN 0.038 nan 8.240 nan 0.000 0.495 287 E N 0.482 120.715 120.200 0.053 0.000 2.158 287 E HA 0.048 4.398 4.350 0.000 0.000 0.191 287 E C 0.444 177.046 176.600 0.004 0.000 0.982 287 E CA 0.522 56.946 56.400 0.040 0.000 0.823 287 E CB 0.330 30.053 29.700 0.038 0.000 0.766 287 E HN 0.450 nan 8.360 nan 0.000 0.468 288 Q N 0.447 120.249 119.800 0.004 0.000 2.269 288 Q HA 0.152 4.492 4.340 0.000 0.000 0.263 288 Q C -0.383 175.624 176.000 0.012 0.000 0.983 288 Q CA -0.242 55.556 55.803 -0.008 0.000 0.777 288 Q CB 1.621 30.352 28.738 -0.011 0.000 1.273 288 Q HN 0.081 nan 8.270 nan 0.000 0.440 289 L N 4.286 125.515 121.223 0.011 0.000 2.145 289 L HA 0.350 4.691 4.340 0.000 0.000 0.201 289 L C -0.369 176.498 176.870 -0.005 0.000 1.075 289 L CA 1.264 56.085 54.840 -0.031 0.000 0.773 289 L CB 0.449 42.451 42.059 -0.094 0.000 0.936 289 L HN 0.612 nan 8.230 nan 0.000 0.451 290 L N 0.196 121.450 121.223 0.052 0.000 2.334 290 L HA 0.383 4.723 4.340 0.000 0.000 0.270 290 L C -1.490 175.419 176.870 0.065 0.000 1.018 290 L CA -1.651 53.198 54.840 0.015 0.000 0.811 290 L CB 0.965 42.982 42.059 -0.070 0.000 1.271 290 L HN -0.142 nan 8.230 nan 0.000 0.443 291 P HA -0.008 nan 4.420 nan 0.000 0.231 291 P C 0.161 177.367 177.300 -0.156 0.000 1.168 291 P CA 0.775 63.856 63.100 -0.032 0.000 0.779 291 P CB 0.288 31.957 31.700 -0.051 0.000 0.844 292 T N -5.883 108.435 114.554 -0.394 0.000 2.681 292 T HA 0.534 4.884 4.350 0.000 0.000 0.296 292 T C 1.376 175.544 174.700 -0.887 0.000 1.157 292 T CA -0.095 61.624 62.100 -0.636 0.000 1.025 292 T CB 0.804 69.456 68.868 -0.360 0.000 1.441 292 T HN -0.122 nan 8.240 nan 0.000 0.504 293 G N 0.086 108.550 108.800 -0.560 0.000 2.422 293 G HA2 0.295 4.255 3.960 0.000 0.000 0.218 293 G HA3 0.295 4.255 3.960 0.000 0.000 0.218 293 G C 0.286 175.125 174.900 -0.101 0.000 1.140 293 G CA 0.826 45.825 45.100 -0.169 0.000 0.775 293 G HN 0.906 nan 8.290 nan 0.000 0.545 294 T N -0.544 113.907 114.554 -0.172 0.000 2.952 294 T HA 0.489 4.839 4.350 0.000 0.000 0.305 294 T C -1.157 173.411 174.700 -0.219 0.000 1.064 294 T CA -0.468 61.537 62.100 -0.157 0.000 1.008 294 T CB 2.811 71.648 68.868 -0.050 0.000 1.078 294 T HN -0.084 nan 8.240 nan 0.000 0.459 295 V N 3.924 123.724 119.914 -0.189 0.000 2.384 295 V HA 0.461 4.581 4.120 0.000 0.000 0.287 295 V C -0.192 175.775 176.094 -0.211 0.000 1.020 295 V CA -0.990 61.171 62.300 -0.232 0.000 0.850 295 V CB 1.562 33.242 31.823 -0.238 0.000 0.987 295 V HN 0.735 nan 8.190 nan 0.000 0.436 296 N N 2.766 121.329 118.700 -0.229 0.000 2.524 296 N HA 0.455 5.195 4.740 0.000 0.000 0.283 296 N C -1.081 174.287 175.510 -0.236 0.000 1.142 296 N CA -0.210 52.806 53.050 -0.057 0.000 0.984 296 N CB 0.996 39.481 38.487 -0.004 0.000 1.155 296 N HN 0.582 nan 8.380 nan 0.000 0.467 297 Y N 1.315 121.730 120.300 0.192 0.000 2.787 297 Y HA 0.282 4.832 4.550 0.000 0.000 0.352 297 Y C -1.437 174.529 175.900 0.110 0.000 1.027 297 Y CA -1.440 56.746 58.100 0.143 0.000 1.219 297 Y CB 1.553 40.129 38.460 0.193 0.000 1.110 297 Y HN 0.517 nan 8.280 nan 0.000 0.614 298 P HA -0.087 nan 4.420 nan 0.000 0.217 298 P C 0.181 177.512 177.300 0.052 0.000 1.151 298 P CA 1.485 64.685 63.100 0.166 0.000 0.828 298 P CB 0.627 32.353 31.700 0.043 0.000 0.788 299 N N -0.364 118.346 118.700 0.017 0.000 2.200 299 N HA 0.129 4.869 4.740 0.000 0.000 0.224 299 N C -0.246 175.232 175.510 -0.054 0.000 1.179 299 N CA 0.140 53.171 53.050 -0.032 0.000 0.877 299 N CB 1.072 39.518 38.487 -0.068 0.000 1.072 299 N HN 0.217 nan 8.380 nan 0.000 0.519 300 D N 0.000 120.388 120.400 -0.019 0.000 2.596 300 D HA 0.326 4.966 4.640 0.000 0.000 0.234 300 D C -0.495 175.659 176.300 -0.243 0.000 1.181 300 D CA -0.193 53.690 54.000 -0.196 0.000 0.856 300 D CB 1.984 42.661 40.800 -0.205 0.000 1.498 300 D HN -0.166 nan 8.370 nan 0.000 0.446 301 Y N -0.608 119.483 120.300 -0.349 0.000 2.502 301 Y HA -0.257 4.293 4.550 0.000 0.000 0.036 301 Y C 1.054 176.632 175.900 -0.536 0.000 1.697 301 Y CA 0.224 57.944 58.100 -0.633 0.000 1.422 301 Y CB -0.948 36.665 38.460 -1.411 0.000 2.067 301 Y HN 0.521 nan 8.280 nan 0.000 0.253 302 A N 0.291 122.899 122.820 -0.352 0.000 2.123 302 A HA 0.157 4.477 4.320 0.000 0.000 0.214 302 A C 0.127 177.547 177.584 -0.273 0.000 1.152 302 A CA 1.184 53.117 52.037 -0.173 0.000 0.728 302 A CB -0.560 18.492 19.000 0.086 0.000 0.814 302 A HN 0.632 nan 8.150 nan 0.000 0.464 303 Y N -2.040 118.051 120.300 -0.347 0.000 2.376 303 Y HA 0.538 5.088 4.550 0.000 0.000 0.325 303 Y C 1.357 177.104 175.900 -0.255 0.000 1.199 303 Y CA -0.573 57.193 58.100 -0.556 0.000 1.206 303 Y CB 0.055 38.038 38.460 -0.796 0.000 1.229 303 Y HN 0.032 nan 8.280 nan 0.000 0.480 304 T N -1.096 113.434 114.554 -0.041 0.000 2.978 304 T HA 0.207 4.557 4.350 0.000 0.000 0.262 304 T C 0.268 175.087 174.700 0.198 0.000 1.063 304 T CA 0.595 62.625 62.100 -0.117 0.000 1.140 304 T CB -0.183 68.433 68.868 -0.421 0.000 0.886 304 T HN 0.848 nan 8.240 nan 0.000 0.470 305 R N -0.284 120.345 120.500 0.215 0.000 2.712 305 R HA 0.635 4.975 4.340 0.000 0.000 0.272 305 R C -2.201 174.058 176.300 -0.069 0.000 1.032 305 R CA -1.151 55.074 56.100 0.208 0.000 0.874 305 R CB 1.342 31.724 30.300 0.138 0.000 1.256 305 R HN 0.033 nan 8.270 nan 0.000 0.468 306 V N 0.140 119.949 119.914 -0.176 0.000 2.555 306 V HA 0.691 4.811 4.120 0.000 0.000 0.302 306 V C -0.341 175.539 176.094 -0.357 0.000 1.038 306 V CA -0.848 61.136 62.300 -0.527 0.000 0.887 306 V CB 1.746 33.128 31.823 -0.733 0.000 0.991 306 V HN 0.821 nan 8.190 nan 0.000 0.434 307 S N 2.150 117.595 115.700 -0.426 0.000 2.536 307 S HA 0.593 5.063 4.470 0.000 0.000 0.298 307 S C -0.722 173.540 174.600 -0.563 0.000 1.083 307 S CA -0.687 57.269 58.200 -0.408 0.000 0.995 307 S CB 2.026 65.004 63.200 -0.370 0.000 1.058 307 S HN 0.901 nan 8.310 nan 0.000 0.488 308 E N 1.401 121.374 120.200 -0.380 0.000 2.155 308 E HA 0.354 4.704 4.350 0.000 0.000 0.264 308 E C -0.465 176.021 176.600 -0.191 0.000 0.886 308 E CA -0.436 55.809 56.400 -0.258 0.000 0.752 308 E CB 0.501 30.223 29.700 0.037 0.000 1.133 308 E HN 0.615 nan 8.360 nan 0.000 0.414 309 F N 3.236 123.149 119.950 -0.062 0.000 2.234 309 F HA -0.070 4.457 4.527 0.000 0.000 0.299 309 F C 2.000 177.722 175.800 -0.131 0.000 1.087 309 F CA 0.670 58.580 58.000 -0.150 0.000 1.340 309 F CB 0.119 38.974 39.000 -0.243 0.000 1.031 309 F HN 0.430 nan 8.300 nan 0.000 0.500 310 K N -0.479 119.944 120.400 0.039 0.000 2.152 310 K HA -0.183 4.137 4.320 0.000 0.000 0.206 310 K C 1.782 178.332 176.600 -0.084 0.000 1.048 310 K CA 1.202 57.461 56.287 -0.047 0.000 0.933 310 K CB -0.374 32.072 32.500 -0.090 0.000 0.721 310 K HN 0.372 nan 8.250 nan 0.000 0.447 311 H N 0.388 119.443 119.070 -0.025 0.000 2.387 311 H HA -0.100 4.456 4.556 0.000 0.000 0.299 311 H C 2.118 177.332 175.328 -0.190 0.000 1.099 311 H CA 1.446 57.491 56.048 -0.006 0.000 1.315 311 H CB -0.006 29.799 29.762 0.072 0.000 1.380 311 H HN 0.203 nan 8.280 nan 0.000 0.513 312 I N 0.352 120.843 120.570 -0.132 0.000 2.400 312 I HA -0.148 4.023 4.170 0.000 0.000 0.248 312 I C 2.613 178.491 176.117 -0.399 0.000 1.109 312 I CA 1.386 62.377 61.300 -0.514 0.000 1.425 312 I CB -0.092 37.853 38.000 -0.090 0.000 1.094 312 I HN 0.255 nan 8.210 nan 0.000 0.425 313 T N -2.176 112.286 114.554 -0.152 0.000 3.035 313 T HA 0.164 4.515 4.350 0.000 0.000 0.259 313 T C 1.712 176.366 174.700 -0.077 0.000 1.078 313 T CA 0.679 62.722 62.100 -0.094 0.000 1.132 313 T CB 0.227 69.055 68.868 -0.068 0.000 0.900 313 T HN 0.485 nan 8.240 nan 0.000 0.480 314 G N 1.177 109.932 108.800 -0.075 0.000 2.162 314 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 314 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 314 G C -0.109 174.791 174.900 0.000 0.000 0.976 314 G CA 0.336 45.421 45.100 -0.025 0.000 0.655 314 G HN 0.929 nan 8.290 nan 0.000 0.533 315 Q N 0.114 119.914 119.800 -0.000 0.000 2.361 315 Q HA 0.335 4.675 4.340 0.000 0.000 0.276 315 Q C 0.724 176.758 176.000 0.056 0.000 1.022 315 Q CA -0.243 55.586 55.803 0.042 0.000 0.898 315 Q CB 0.374 29.140 28.738 0.047 0.000 1.246 315 Q HN 0.546 nan 8.270 nan 0.000 0.410 316 R N 3.061 123.612 120.500 0.087 0.000 2.368 316 R HA 0.303 4.643 4.340 0.000 0.000 0.302 316 R C -1.302 175.100 176.300 0.171 0.000 1.002 316 R CA -0.324 55.832 56.100 0.093 0.000 0.929 316 R CB 0.870 31.209 30.300 0.066 0.000 1.073 316 R HN 0.763 nan 8.270 nan 0.000 0.464 317 H N 2.539 121.631 119.070 0.038 0.000 3.094 317 H HA 0.044 4.600 4.556 0.000 0.000 0.335 317 H C 0.077 175.428 175.328 0.038 0.000 1.254 317 H CA -0.452 55.622 56.048 0.043 0.000 1.240 317 H CB 1.074 30.818 29.762 -0.031 0.000 1.936 317 H HN 0.950 nan 8.280 nan 0.000 0.536 318 H N 1.393 120.415 119.070 -0.080 0.000 2.495 318 H HA 0.124 4.680 4.556 0.000 0.000 0.287 318 H C -0.120 175.311 175.328 0.171 0.000 1.033 318 H CA 0.309 56.370 56.048 0.022 0.000 1.307 318 H CB 0.886 30.609 29.762 -0.066 0.000 1.401 318 H HN 0.426 nan 8.280 nan 0.000 0.555 319 Q N 0.028 119.872 119.800 0.073 0.000 2.852 319 Q HA 0.534 4.874 4.340 0.000 0.000 0.262 319 Q C -0.695 175.317 176.000 0.019 0.000 1.051 319 Q CA -0.894 54.938 55.803 0.048 0.000 0.894 319 Q CB 2.354 31.064 28.738 -0.046 0.000 1.381 319 Q HN 0.125 nan 8.270 nan 0.000 0.501 320 T N -0.331 114.212 114.554 -0.019 0.000 2.923 320 T HA 0.488 4.838 4.350 0.000 0.000 0.311 320 T C -1.584 173.119 174.700 0.004 0.000 1.183 320 T CA -0.409 61.673 62.100 -0.029 0.000 1.020 320 T CB 1.579 70.454 68.868 0.013 0.000 1.165 320 T HN 0.427 nan 8.240 nan 0.000 0.482 321 S N 1.658 117.364 115.700 0.011 0.000 2.500 321 S HA 0.806 5.276 4.470 0.000 0.000 0.301 321 S C -0.355 174.307 174.600 0.104 0.000 1.092 321 S CA -0.667 57.583 58.200 0.083 0.000 1.030 321 S CB 1.481 64.729 63.200 0.080 0.000 1.031 321 S HN 0.875 nan 8.310 nan 0.000 0.483 322 V N 0.499 120.465 119.914 0.087 0.000 3.126 322 V HA 0.974 5.095 4.120 0.000 0.000 0.314 322 V C -0.773 175.277 176.094 -0.072 0.000 1.138 322 V CA -0.777 61.450 62.300 -0.121 0.000 1.034 322 V CB 1.788 33.519 31.823 -0.153 0.000 1.075 322 V HN 0.609 nan 8.190 nan 0.000 0.442 323 V N 1.830 121.557 119.914 -0.312 0.000 2.686 323 V HA 0.635 4.755 4.120 0.000 0.000 0.306 323 V C -1.620 174.275 176.094 -0.333 0.000 1.065 323 V CA -0.432 61.736 62.300 -0.220 0.000 0.894 323 V CB 1.946 33.664 31.823 -0.176 0.000 1.004 323 V HN 0.883 nan 8.190 nan 0.000 0.424 324 Y N 3.959 124.155 120.300 -0.173 0.000 2.320 324 Y HA 0.566 5.116 4.550 0.000 0.000 0.334 324 Y C 0.560 176.413 175.900 -0.077 0.000 1.055 324 Y CA -0.326 57.611 58.100 -0.270 0.000 1.143 324 Y CB 1.475 39.676 38.460 -0.431 0.000 1.193 324 Y HN 0.570 nan 8.280 nan 0.000 0.477 325 E N 2.800 122.993 120.200 -0.012 0.000 2.166 325 E HA 0.311 4.661 4.350 0.000 0.000 0.275 325 E C -1.692 174.842 176.600 -0.111 0.000 0.941 325 E CA -0.802 55.610 56.400 0.020 0.000 0.784 325 E CB 1.235 30.968 29.700 0.056 0.000 1.115 325 E HN 0.486 nan 8.360 nan 0.000 0.399 326 Y N 2.610 122.878 120.300 -0.054 0.000 2.345 326 Y HA 0.281 4.831 4.550 0.000 0.000 0.331 326 Y C -2.247 173.593 175.900 -0.100 0.000 0.959 326 Y CA -2.899 55.179 58.100 -0.036 0.000 1.204 326 Y CB 1.185 39.638 38.460 -0.012 0.000 1.135 326 Y HN 0.393 nan 8.280 nan 0.000 0.477 327 P HA 0.157 nan 4.420 nan 0.000 0.268 327 P C -0.417 176.881 177.300 -0.003 0.000 1.205 327 P CA -0.048 63.012 63.100 -0.066 0.000 0.771 327 P CB 0.727 32.336 31.700 -0.152 0.000 0.858 328 R N 1.800 122.300 120.500 -0.000 0.000 2.673 328 R HA 0.533 4.873 4.340 0.000 0.000 0.281 328 R C 0.551 176.871 176.300 0.033 0.000 0.991 328 R CA -0.904 55.210 56.100 0.022 0.000 0.896 328 R CB 1.833 32.150 30.300 0.028 0.000 1.201 328 R HN 0.397 nan 8.270 nan 0.000 0.457 329 A N 1.263 124.107 122.820 0.040 0.000 2.072 329 A HA 0.043 4.363 4.320 0.000 0.000 0.216 329 A C 0.381 178.002 177.584 0.063 0.000 1.156 329 A CA 0.988 53.061 52.037 0.060 0.000 0.701 329 A CB 0.189 19.224 19.000 0.059 0.000 0.816 329 A HN 0.587 nan 8.150 nan 0.000 0.458 330 E N -2.203 118.022 120.200 0.042 0.000 2.277 330 E HA 0.561 4.911 4.350 0.000 0.000 0.266 330 E C -0.004 176.606 176.600 0.017 0.000 0.901 330 E CA 0.525 56.945 56.400 0.032 0.000 0.782 330 E CB 1.926 31.640 29.700 0.024 0.000 1.228 330 E HN 0.717 nan 8.360 nan 0.000 0.424 331 G N 2.080 110.880 108.800 -0.000 0.000 2.353 331 G HA2 -0.078 3.882 3.960 0.000 0.000 0.615 331 G HA3 -0.078 3.882 3.960 0.000 0.000 0.615 331 G C -1.392 173.444 174.900 -0.106 0.000 1.280 331 G CA -0.880 44.206 45.100 -0.025 0.000 1.000 331 G HN 0.528 nan 8.290 nan 0.000 0.516 332 D N 2.150 122.445 120.400 -0.175 0.000 2.525 332 D HA 0.358 4.998 4.640 0.000 0.000 0.235 332 D C -1.700 174.228 176.300 -0.620 0.000 1.137 332 D CA 0.129 53.928 54.000 -0.335 0.000 0.868 332 D CB 0.778 41.401 40.800 -0.294 0.000 1.180 332 D HN 0.291 nan 8.370 nan 0.000 0.465 333 P HA 0.060 nan 4.420 nan 0.000 0.276 333 P C -0.398 176.726 177.300 -0.293 0.000 1.243 333 P CA 0.187 63.095 63.100 -0.321 0.000 0.768 333 P CB 0.318 31.702 31.700 -0.527 0.000 0.856 334 Y N 1.387 121.765 120.300 0.130 0.000 2.638 334 Y HA 0.200 4.750 4.550 0.000 0.000 0.275 334 Y C 0.397 176.187 175.900 -0.185 0.000 1.122 334 Y CA -0.182 57.905 58.100 -0.022 0.000 1.266 334 Y CB 0.466 38.922 38.460 -0.005 0.000 1.317 334 Y HN 0.198 nan 8.280 nan 0.000 0.501 335 Y N 0.952 121.373 120.300 0.201 0.000 2.361 335 Y HA 0.429 4.979 4.550 0.000 0.000 0.337 335 Y C -2.668 173.250 175.900 0.029 0.000 0.965 335 Y CA -3.548 54.564 58.100 0.020 0.000 1.091 335 Y CB 1.132 39.508 38.460 -0.139 0.000 1.182 335 Y HN -0.197 nan 8.280 nan 0.000 0.450 336 P HA 0.085 nan 4.420 nan 0.000 0.269 336 P C -0.783 176.369 177.300 -0.246 0.000 1.215 336 P CA -0.221 62.462 63.100 -0.695 0.000 0.780 336 P CB 0.813 31.753 31.700 -1.267 0.000 0.898 337 V N 4.194 124.005 119.914 -0.171 0.000 2.277 337 V HA 0.242 4.362 4.120 0.000 0.000 0.269 337 V C -2.205 173.865 176.094 -0.041 0.000 1.036 337 V CA -1.770 60.542 62.300 0.021 0.000 0.821 337 V CB 0.856 32.782 31.823 0.172 0.000 1.052 337 V HN 0.489 nan 8.190 nan 0.000 0.462 338 P HA 0.338 nan 4.420 nan 0.000 0.274 338 P C -0.394 176.866 177.300 -0.066 0.000 1.291 338 P CA -0.020 63.041 63.100 -0.065 0.000 0.815 338 P CB 0.220 31.881 31.700 -0.065 0.000 0.897 339 R N 2.804 123.310 120.500 0.009 0.000 2.664 339 R HA 0.399 4.740 4.340 0.000 0.000 0.266 339 R C -2.825 173.496 176.300 0.035 0.000 1.046 339 R CA -1.861 54.241 56.100 0.003 0.000 0.885 339 R CB 0.092 30.388 30.300 -0.007 0.000 1.254 339 R HN -0.060 nan 8.270 nan 0.000 0.465 340 P HA -0.325 nan 4.420 nan 0.000 0.217 340 P C 0.937 178.257 177.300 0.034 0.000 1.162 340 P CA 2.355 65.471 63.100 0.026 0.000 0.901 340 P CB 0.078 31.785 31.700 0.012 0.000 0.793 341 E N -1.126 119.094 120.200 0.033 0.000 2.153 341 E HA -0.213 4.137 4.350 0.000 0.000 0.194 341 E C 1.577 178.206 176.600 0.047 0.000 0.988 341 E CA 1.229 57.649 56.400 0.033 0.000 0.811 341 E CB -0.841 28.880 29.700 0.035 0.000 0.746 341 E HN 0.199 nan 8.360 nan 0.000 0.466 342 N N 1.228 119.973 118.700 0.074 0.000 2.250 342 N HA -0.005 4.735 4.740 0.000 0.000 0.181 342 N C 1.863 177.432 175.510 0.098 0.000 1.017 342 N CA 1.347 54.454 53.050 0.096 0.000 0.866 342 N CB -0.398 38.199 38.487 0.184 0.000 0.985 342 N HN 0.340 nan 8.380 nan 0.000 0.429 343 A N 1.465 124.362 122.820 0.128 0.000 1.917 343 A HA -0.183 4.137 4.320 0.000 0.000 0.219 343 A C 2.078 179.723 177.584 0.103 0.000 1.182 343 A CA 1.558 53.684 52.037 0.150 0.000 0.633 343 A CB -0.515 18.553 19.000 0.113 0.000 0.819 343 A HN 0.344 nan 8.150 nan 0.000 0.448 344 E N -0.671 119.554 120.200 0.042 0.000 2.152 344 E HA -0.048 4.302 4.350 0.000 0.000 0.192 344 E C 1.988 178.553 176.600 -0.059 0.000 0.983 344 E CA 0.644 57.035 56.400 -0.015 0.000 0.818 344 E CB -0.169 29.515 29.700 -0.027 0.000 0.758 344 E HN 0.626 nan 8.360 nan 0.000 0.467 345 L N 0.290 121.498 121.223 -0.025 0.000 2.027 345 L HA -0.199 4.141 4.340 0.000 0.000 0.206 345 L C 2.507 179.379 176.870 0.002 0.000 1.074 345 L CA 1.344 56.164 54.840 -0.033 0.000 0.745 345 L CB -0.234 41.857 42.059 0.052 0.000 0.898 345 L HN 0.229 nan 8.230 nan 0.000 0.433 346 Y N 0.957 121.191 120.300 -0.109 0.000 2.224 346 Y HA -0.327 4.223 4.550 0.000 0.000 0.289 346 Y C 2.471 178.355 175.900 -0.027 0.000 1.146 346 Y CA 1.958 59.993 58.100 -0.107 0.000 1.182 346 Y CB -0.220 38.031 38.460 -0.349 0.000 0.983 346 Y HN 0.040 nan 8.280 nan 0.000 0.524 347 K N 0.893 121.153 120.400 -0.233 0.000 2.113 347 K HA -0.174 4.146 4.320 0.000 0.000 0.208 347 K C 2.003 178.379 176.600 -0.373 0.000 1.047 347 K CA 1.596 57.697 56.287 -0.310 0.000 0.928 347 K CB -0.110 32.307 32.500 -0.139 0.000 0.716 347 K HN 0.199 nan 8.250 nan 0.000 0.446 348 K N -0.744 119.421 120.400 -0.392 0.000 2.026 348 K HA -0.138 4.182 4.320 0.000 0.000 0.208 348 K C 2.307 178.660 176.600 -0.412 0.000 1.048 348 K CA 1.714 57.665 56.287 -0.559 0.000 0.929 348 K CB -0.457 31.430 32.500 -1.022 0.000 0.713 348 K HN 0.303 nan 8.250 nan 0.000 0.439 349 Y N 1.478 121.640 120.300 -0.230 0.000 2.274 349 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 349 Y C 2.588 178.268 175.900 -0.367 0.000 1.145 349 Y CA 1.190 59.200 58.100 -0.149 0.000 1.203 349 Y CB -0.079 38.384 38.460 0.005 0.000 0.984 349 Y HN 0.266 nan 8.280 nan 0.000 0.533 350 E N 0.339 120.245 120.200 -0.491 0.000 2.118 350 E HA -0.253 4.097 4.350 0.000 0.000 0.195 350 E C 2.303 178.724 176.600 -0.298 0.000 0.992 350 E CA 0.944 57.025 56.400 -0.531 0.000 0.804 350 E CB -0.136 29.128 29.700 -0.728 0.000 0.741 350 E HN 0.458 nan 8.360 nan 0.000 0.458 351 A N 1.281 123.941 122.820 -0.267 0.000 1.858 351 A HA -0.172 4.148 4.320 0.000 0.000 0.216 351 A C 2.211 179.676 177.584 -0.197 0.000 1.190 351 A CA 1.309 53.230 52.037 -0.192 0.000 0.617 351 A CB -0.795 18.097 19.000 -0.180 0.000 0.827 351 A HN 0.310 nan 8.150 nan 0.000 0.443 352 L N -0.861 120.184 121.223 -0.297 0.000 2.127 352 L HA -0.246 4.094 4.340 0.000 0.000 0.211 352 L C 3.014 179.701 176.870 -0.304 0.000 1.089 352 L CA 1.255 55.808 54.840 -0.479 0.000 0.757 352 L CB -0.822 40.558 42.059 -1.132 0.000 0.899 352 L HN 0.493 nan 8.230 nan 0.000 0.434 353 A N -0.028 122.644 122.820 -0.247 0.000 1.872 353 A HA -0.168 4.152 4.320 0.000 0.000 0.214 353 A C 1.925 179.489 177.584 -0.033 0.000 1.187 353 A CA 1.531 53.408 52.037 -0.266 0.000 0.614 353 A CB -0.377 18.083 19.000 -0.900 0.000 0.826 353 A HN 0.324 nan 8.150 nan 0.000 0.442 354 D N 0.472 120.841 120.400 -0.051 0.000 2.117 354 D HA -0.087 4.553 4.640 0.000 0.000 0.197 354 D C 2.182 178.532 176.300 0.082 0.000 0.987 354 D CA 1.618 55.643 54.000 0.042 0.000 0.829 354 D CB -0.498 40.304 40.800 0.003 0.000 0.961 354 D HN 0.419 nan 8.370 nan 0.000 0.460 355 A N 1.275 124.122 122.820 0.045 0.000 1.930 355 A HA 0.119 4.439 4.320 0.000 0.000 0.217 355 A C 1.474 179.141 177.584 0.139 0.000 1.175 355 A CA 1.020 53.096 52.037 0.064 0.000 0.627 355 A CB -0.736 18.270 19.000 0.012 0.000 0.815 355 A HN 0.245 nan 8.150 nan 0.000 0.443 356 A N -0.026 122.930 122.820 0.226 0.000 2.591 356 A HA 0.169 4.489 4.320 0.000 0.000 0.244 356 A C 1.186 178.931 177.584 0.268 0.000 1.031 356 A CA 0.200 52.442 52.037 0.342 0.000 0.767 356 A CB 0.130 19.482 19.000 0.587 0.000 0.942 356 A HN 0.505 nan 8.150 nan 0.000 0.514 357 Q N 1.158 121.091 119.800 0.222 0.000 1.864 357 Q HA -0.060 4.280 4.340 0.000 0.000 0.219 357 Q C 0.215 176.344 176.000 0.215 0.000 0.975 357 Q CA 1.397 57.309 55.803 0.181 0.000 0.862 357 Q CB -0.137 28.683 28.738 0.137 0.000 0.913 357 Q HN 0.830 nan 8.270 nan 0.000 0.431 358 D N 0.720 121.239 120.400 0.198 0.000 3.072 358 D HA 0.177 4.817 4.640 0.000 0.000 0.250 358 D C -0.832 175.426 176.300 -0.070 0.000 1.304 358 D CA 0.082 54.246 54.000 0.273 0.000 0.861 358 D CB 0.516 41.459 40.800 0.238 0.000 1.062 358 D HN -0.099 nan 8.370 nan 0.000 0.481 359 V N 0.481 120.377 119.914 -0.029 0.000 2.623 359 V HA 0.286 4.406 4.120 0.000 0.000 0.304 359 V C 0.239 176.262 176.094 -0.117 0.000 1.054 359 V CA -0.621 61.498 62.300 -0.302 0.000 0.882 359 V CB 2.371 34.021 31.823 -0.288 0.000 1.002 359 V HN -0.034 nan 8.190 nan 0.000 0.424 360 T N 5.092 119.534 114.554 -0.187 0.000 2.823 360 T HA 0.707 5.057 4.350 0.000 0.000 0.279 360 T C -0.767 173.842 174.700 -0.153 0.000 0.998 360 T CA -0.139 62.012 62.100 0.085 0.000 0.994 360 T CB 0.844 69.889 68.868 0.296 0.000 0.960 360 T HN 0.282 nan 8.240 nan 0.000 0.448 361 F N 2.129 122.121 119.950 0.069 0.000 2.443 361 F HA 0.717 5.244 4.527 0.000 0.000 0.335 361 F C 0.239 176.093 175.800 0.090 0.000 1.104 361 F CA -0.938 57.104 58.000 0.070 0.000 1.013 361 F CB 1.578 40.637 39.000 0.098 0.000 1.136 361 F HN 0.270 nan 8.300 nan 0.000 0.470 362 V N 2.187 122.216 119.914 0.193 0.000 2.950 362 V HA 0.905 5.025 4.120 0.000 0.000 0.295 362 V C -0.659 175.495 176.094 0.100 0.000 1.297 362 V CA 0.267 62.657 62.300 0.150 0.000 0.962 362 V CB 1.365 33.257 31.823 0.115 0.000 1.081 362 V HN 1.379 nan 8.190 nan 0.000 0.432 363 G N 4.888 113.770 108.800 0.135 0.000 2.392 363 G HA2 -0.010 3.951 3.960 0.000 0.000 0.677 363 G HA3 -0.010 3.951 3.960 0.000 0.000 0.677 363 G C 0.069 175.036 174.900 0.112 0.000 1.334 363 G CA 0.171 45.345 45.100 0.122 0.000 0.961 363 G HN 1.437 nan 8.290 nan 0.000 0.616 364 R N -0.323 120.251 120.500 0.123 0.000 2.103 364 R HA -0.060 4.280 4.340 0.000 0.000 0.242 364 R C 2.128 178.476 176.300 0.080 0.000 1.142 364 R CA 2.288 58.438 56.100 0.084 0.000 0.960 364 R CB -0.341 30.034 30.300 0.125 0.000 0.858 364 R HN 0.554 nan 8.270 nan 0.000 0.439 365 L N -0.478 120.812 121.223 0.111 0.000 2.162 365 L HA 0.117 4.457 4.340 0.000 0.000 0.205 365 L C 2.658 179.683 176.870 0.258 0.000 1.086 365 L CA 0.799 55.762 54.840 0.205 0.000 0.778 365 L CB -0.399 41.678 42.059 0.031 0.000 0.928 365 L HN 0.237 nan 8.230 nan 0.000 0.446 366 A N 0.094 123.012 122.820 0.164 0.000 2.066 366 A HA -0.109 4.211 4.320 0.000 0.000 0.218 366 A C 2.124 179.913 177.584 0.341 0.000 1.157 366 A CA 1.821 54.029 52.037 0.285 0.000 0.670 366 A CB -0.598 18.524 19.000 0.204 0.000 0.804 366 A HN 0.490 nan 8.150 nan 0.000 0.453 367 T N -7.499 107.180 114.554 0.208 0.000 3.044 367 T HA 0.198 4.548 4.350 0.000 0.000 0.260 367 T C 0.312 174.920 174.700 -0.153 0.000 1.019 367 T CA 0.209 62.395 62.100 0.144 0.000 0.921 367 T CB -0.370 68.564 68.868 0.109 0.000 1.053 367 T HN 0.662 nan 8.240 nan 0.000 0.533 368 Y N 2.249 122.397 120.300 -0.253 0.000 3.125 368 Y HA -0.251 4.299 4.550 0.000 0.000 0.200 368 Y C -0.401 175.264 175.900 -0.392 0.000 1.373 368 Y CA -0.035 57.823 58.100 -0.404 0.000 1.180 368 Y CB -1.789 36.149 38.460 -0.870 0.000 1.381 368 Y HN 0.433 nan 8.280 nan 0.000 0.501 369 R N 1.414 121.708 120.500 -0.344 0.000 2.513 369 R HA 0.242 4.582 4.340 0.000 0.000 0.301 369 R C -0.764 175.412 176.300 -0.206 0.000 0.968 369 R CA -1.135 54.710 56.100 -0.425 0.000 0.872 369 R CB 0.935 30.695 30.300 -0.900 0.000 1.177 369 R HN 0.167 nan 8.270 nan 0.000 0.444 370 Y N 4.345 124.546 120.300 -0.165 0.000 2.790 370 Y HA 0.016 4.566 4.550 0.000 0.000 0.348 370 Y C -0.939 175.091 175.900 0.215 0.000 1.183 370 Y CA -0.401 57.737 58.100 0.062 0.000 2.002 370 Y CB -0.451 38.089 38.460 0.134 0.000 2.086 370 Y HN 0.363 nan 8.280 nan 0.000 0.412 371 Y N 1.939 122.398 120.300 0.264 0.000 2.308 371 Y HA 0.224 4.774 4.550 0.000 0.000 0.329 371 Y C 0.781 176.750 175.900 0.115 0.000 1.111 371 Y CA -1.502 56.677 58.100 0.132 0.000 1.179 371 Y CB 0.535 39.043 38.460 0.080 0.000 1.201 371 Y HN 0.319 nan 8.280 nan 0.000 0.483 372 N N 2.533 121.322 118.700 0.149 0.000 2.317 372 N HA 0.110 4.850 4.740 0.000 0.000 0.245 372 N C 1.342 176.786 175.510 -0.109 0.000 1.294 372 N CA -0.073 52.972 53.050 -0.008 0.000 0.924 372 N CB 0.516 38.906 38.487 -0.162 0.000 1.186 372 N HN 0.646 nan 8.380 nan 0.000 0.495 373 M N 0.203 119.681 119.600 -0.203 0.000 2.108 373 M HA -0.193 4.287 4.480 0.000 0.000 0.261 373 M C 1.443 177.518 176.300 -0.374 0.000 1.066 373 M CA 1.500 56.594 55.300 -0.343 0.000 1.107 373 M CB -0.364 32.015 32.600 -0.367 0.000 1.356 373 M HN 0.566 nan 8.290 nan 0.000 0.406 374 D N 0.098 120.266 120.400 -0.387 0.000 2.144 374 D HA -0.213 4.427 4.640 0.000 0.000 0.199 374 D C 1.644 177.808 176.300 -0.226 0.000 0.984 374 D CA 1.428 55.270 54.000 -0.263 0.000 0.834 374 D CB -0.670 39.866 40.800 -0.440 0.000 0.955 374 D HN 0.492 nan 8.370 nan 0.000 0.465 375 Q N 0.269 119.881 119.800 -0.313 0.000 2.170 375 Q HA -0.051 4.289 4.340 0.000 0.000 0.203 375 Q C 2.594 178.403 176.000 -0.319 0.000 0.976 375 Q CA 0.992 56.534 55.803 -0.435 0.000 0.858 375 Q CB 0.103 28.368 28.738 -0.788 0.000 0.907 375 Q HN 0.215 nan 8.270 nan 0.000 0.433 376 V N 0.015 119.849 119.914 -0.134 0.000 2.379 376 V HA -0.196 3.924 4.120 0.000 0.000 0.245 376 V C 2.188 178.310 176.094 0.046 0.000 1.044 376 V CA 1.178 63.512 62.300 0.057 0.000 1.036 376 V CB -0.320 31.582 31.823 0.131 0.000 0.664 376 V HN 0.175 nan 8.190 nan 0.000 0.453 377 V N 0.524 120.433 119.914 -0.009 0.000 2.287 377 V HA -0.298 3.822 4.120 0.000 0.000 0.248 377 V C 2.719 178.802 176.094 -0.018 0.000 1.053 377 V CA 2.215 64.538 62.300 0.038 0.000 1.027 377 V CB -1.141 30.732 31.823 0.082 0.000 0.646 377 V HN 0.565 nan 8.190 nan 0.000 0.447 378 A N -0.985 121.808 122.820 -0.044 0.000 1.877 378 A HA -0.303 4.017 4.320 0.000 0.000 0.216 378 A C 2.266 179.842 177.584 -0.013 0.000 1.186 378 A CA 2.064 54.072 52.037 -0.048 0.000 0.620 378 A CB -0.617 18.338 19.000 -0.075 0.000 0.822 378 A HN 0.586 nan 8.150 nan 0.000 0.443 379 Q N -0.565 119.240 119.800 0.008 0.000 2.112 379 Q HA -0.204 4.136 4.340 0.000 0.000 0.206 379 Q C 2.190 178.245 176.000 0.090 0.000 0.987 379 Q CA 1.848 57.705 55.803 0.091 0.000 0.858 379 Q CB -0.321 28.538 28.738 0.202 0.000 0.905 379 Q HN 0.625 nan 8.270 nan 0.000 0.420 380 A N 0.485 123.348 122.820 0.072 0.000 1.897 380 A HA -0.107 4.213 4.320 0.000 0.000 0.215 380 A C 2.048 179.656 177.584 0.041 0.000 1.181 380 A CA 0.915 52.990 52.037 0.064 0.000 0.620 380 A CB -0.595 18.441 19.000 0.060 0.000 0.821 380 A HN 0.429 nan 8.150 nan 0.000 0.443 381 L N -0.680 120.529 121.223 -0.024 0.000 2.046 381 L HA -0.218 4.122 4.340 0.000 0.000 0.208 381 L C 3.091 180.009 176.870 0.080 0.000 1.077 381 L CA 1.103 55.925 54.840 -0.029 0.000 0.747 381 L CB -0.544 41.431 42.059 -0.140 0.000 0.896 381 L HN 0.450 nan 8.230 nan 0.000 0.432 382 A N -0.619 122.235 122.820 0.057 0.000 1.933 382 A HA -0.191 4.129 4.320 0.000 0.000 0.218 382 A C 2.357 179.989 177.584 0.079 0.000 1.175 382 A CA 2.270 54.346 52.037 0.064 0.000 0.628 382 A CB -0.836 18.198 19.000 0.057 0.000 0.814 382 A HN 0.367 nan 8.150 nan 0.000 0.444 383 T N -0.757 113.858 114.554 0.101 0.000 2.746 383 T HA -0.121 4.229 4.350 0.000 0.000 0.267 383 T C 1.583 176.350 174.700 0.112 0.000 1.039 383 T CA 1.532 63.697 62.100 0.108 0.000 1.142 383 T CB -0.394 68.549 68.868 0.124 0.000 0.866 383 T HN 0.520 nan 8.240 nan 0.000 0.444 384 F N 2.233 122.174 119.950 -0.016 0.000 2.161 384 F HA -0.085 4.442 4.527 0.000 0.000 0.300 384 F C 2.303 178.094 175.800 -0.015 0.000 1.089 384 F CA 1.231 59.210 58.000 -0.036 0.000 1.282 384 F CB -0.216 38.749 39.000 -0.058 0.000 1.010 384 F HN -0.051 nan 8.300 nan 0.000 0.485 385 R N -0.004 120.412 120.500 -0.141 0.000 2.066 385 R HA -0.096 4.244 4.340 0.000 0.000 0.232 385 R C 2.466 178.656 176.300 -0.182 0.000 1.131 385 R CA 1.521 57.480 56.100 -0.234 0.000 0.955 385 R CB -0.374 29.892 30.300 -0.057 0.000 0.851 385 R HN 0.257 nan 8.270 nan 0.000 0.432 386 R N 0.311 120.764 120.500 -0.079 0.000 2.094 386 R HA -0.173 4.168 4.340 0.000 0.000 0.239 386 R C 2.071 178.325 176.300 -0.076 0.000 1.137 386 R CA 1.381 57.454 56.100 -0.046 0.000 0.943 386 R CB -0.547 29.759 30.300 0.010 0.000 0.850 386 R HN 0.091 nan 8.270 nan 0.000 0.433 387 L N 1.084 122.253 121.223 -0.090 0.000 2.349 387 L HA -0.196 4.144 4.340 0.000 0.000 0.220 387 L C 2.232 179.014 176.870 -0.147 0.000 1.130 387 L CA 1.636 56.425 54.840 -0.084 0.000 0.791 387 L CB -0.457 41.581 42.059 -0.035 0.000 0.918 387 L HN 0.216 nan 8.230 nan 0.000 0.444 388 Q N -1.567 118.079 119.800 -0.256 0.000 2.388 388 Q HA 0.282 4.622 4.340 0.000 0.000 0.204 388 Q C 1.092 177.008 176.000 -0.141 0.000 0.946 388 Q CA 0.971 56.619 55.803 -0.258 0.000 0.880 388 Q CB -0.064 28.393 28.738 -0.469 0.000 0.997 388 Q HN 0.393 nan 8.270 nan 0.000 0.552 389 G N 0.000 108.725 108.800 -0.125 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925