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 1aqi_1_B DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTGYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VXXXXXXXXX DATA SEQUENCE XXKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPST DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 175.797 176.094 -0.496 0.000 1.182 21 V CA 0.000 61.952 62.300 -0.580 0.000 1.235 21 V CB 0.000 31.142 31.823 -1.135 0.000 1.184 22 E N 2.254 122.329 120.200 -0.209 0.000 2.331 22 E HA 0.511 4.861 4.350 -0.001 0.000 0.272 22 E C -0.044 176.634 176.600 0.130 0.000 1.036 22 E CA -0.098 56.269 56.400 -0.054 0.000 0.864 22 E CB 1.816 31.515 29.700 -0.001 0.000 1.035 22 E HN 0.926 nan 8.360 nan 0.000 0.408 23 T N 4.868 119.498 114.554 0.126 0.000 2.727 23 T HA 0.336 4.686 4.350 -0.001 0.000 0.298 23 T C -2.212 172.570 174.700 0.138 0.000 0.942 23 T CA -1.440 60.799 62.100 0.232 0.000 0.997 23 T CB 0.798 69.777 68.868 0.185 0.000 0.917 23 T HN 0.144 nan 8.240 nan 0.000 0.487 24 P HA 0.120 nan 4.420 nan 0.000 0.269 24 P C -1.465 175.875 177.300 0.065 0.000 1.215 24 P CA -1.460 61.695 63.100 0.093 0.000 0.780 24 P CB 0.320 32.077 31.700 0.094 0.000 0.898 25 P HA -0.221 nan 4.420 nan 0.000 0.215 25 P C 1.099 178.431 177.300 0.053 0.000 1.157 25 P CA 1.748 64.856 63.100 0.015 0.000 0.868 25 P CB -0.029 31.673 31.700 0.003 0.000 0.788 26 E N 0.256 120.501 120.200 0.074 0.000 2.153 26 E HA -0.084 4.265 4.350 -0.001 0.000 0.194 26 E C 2.131 178.906 176.600 0.292 0.000 0.988 26 E CA 0.966 57.439 56.400 0.122 0.000 0.811 26 E CB -1.614 28.091 29.700 0.008 0.000 0.746 26 E HN 0.146 nan 8.360 nan 0.000 0.466 27 V N 1.622 121.712 119.914 0.294 0.000 2.379 27 V HA -0.184 3.935 4.120 -0.001 0.000 0.245 27 V C 2.680 178.928 176.094 0.256 0.000 1.044 27 V CA 1.299 63.769 62.300 0.282 0.000 1.036 27 V CB -0.353 31.553 31.823 0.137 0.000 0.664 27 V HN 0.086 nan 8.190 nan 0.000 0.453 28 V N 0.291 120.301 119.914 0.160 0.000 2.343 28 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 28 V C 2.302 178.476 176.094 0.133 0.000 1.051 28 V CA 2.167 64.519 62.300 0.087 0.000 1.036 28 V CB -0.704 31.005 31.823 -0.190 0.000 0.654 28 V HN 0.548 nan 8.190 nan 0.000 0.451 29 D N -0.477 120.003 120.400 0.134 0.000 2.117 29 D HA -0.183 4.457 4.640 -0.001 0.000 0.197 29 D C 1.881 178.292 176.300 0.185 0.000 0.987 29 D CA 1.275 55.356 54.000 0.136 0.000 0.829 29 D CB -0.338 40.535 40.800 0.122 0.000 0.961 29 D HN 0.440 nan 8.370 nan 0.000 0.460 30 F N 1.052 121.060 119.950 0.097 0.000 2.126 30 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 30 F C 2.306 178.099 175.800 -0.011 0.000 1.096 30 F CA 1.279 59.309 58.000 0.049 0.000 1.255 30 F CB -0.311 38.729 39.000 0.066 0.000 0.997 30 F HN -0.128 nan 8.300 nan 0.000 0.479 31 M N -0.944 118.621 119.600 -0.059 0.000 2.175 31 M HA -0.163 4.316 4.480 -0.001 0.000 0.264 31 M C 2.037 178.319 176.300 -0.030 0.000 1.063 31 M CA 1.247 56.474 55.300 -0.120 0.000 1.119 31 M CB -0.552 32.125 32.600 0.127 0.000 1.377 31 M HN -0.018 nan 8.290 nan 0.000 0.415 32 V N 0.327 120.306 119.914 0.108 0.000 2.490 32 V HA -0.213 3.907 4.120 -0.001 0.000 0.250 32 V C 2.394 178.581 176.094 0.155 0.000 1.061 32 V CA 2.092 64.504 62.300 0.187 0.000 1.064 32 V CB -0.833 31.120 31.823 0.216 0.000 0.670 32 V HN 0.607 nan 8.190 nan 0.000 0.461 33 S N -0.925 114.794 115.700 0.031 0.000 2.561 33 S HA 0.094 4.563 4.470 -0.001 0.000 0.225 33 S C 1.627 176.178 174.600 -0.081 0.000 0.977 33 S CA 0.674 58.879 58.200 0.009 0.000 0.926 33 S CB -0.242 62.941 63.200 -0.027 0.000 0.769 33 S HN 0.542 nan 8.310 nan 0.000 0.533 34 L N 0.719 121.822 121.223 -0.200 0.000 2.554 34 L HA 0.412 4.752 4.340 -0.001 0.000 0.225 34 L C 1.234 178.047 176.870 -0.094 0.000 1.104 34 L CA 0.042 54.733 54.840 -0.248 0.000 0.866 34 L CB -0.211 41.561 42.059 -0.479 0.000 1.047 34 L HN 0.351 nan 8.230 nan 0.000 0.468 35 A N 1.440 124.248 122.820 -0.019 0.000 2.331 35 A HA 0.491 4.811 4.320 -0.001 0.000 0.283 35 A C -0.154 177.456 177.584 0.043 0.000 1.142 35 A CA -0.179 51.869 52.037 0.019 0.000 0.812 35 A CB 0.254 19.299 19.000 0.075 0.000 1.074 35 A HN 0.359 nan 8.150 nan 0.000 0.497 36 E N 0.554 120.780 120.200 0.043 0.000 2.366 36 E HA 0.744 5.093 4.350 -0.001 0.000 0.278 36 E C -1.007 175.639 176.600 0.077 0.000 0.923 36 E CA -0.915 55.540 56.400 0.090 0.000 0.761 36 E CB 1.992 31.754 29.700 0.104 0.000 1.231 36 E HN 1.161 nan 8.360 nan 0.000 0.443 37 A N 2.426 125.339 122.820 0.156 0.000 2.589 37 A HA 0.644 4.964 4.320 -0.001 0.000 0.296 37 A C -2.799 174.968 177.584 0.306 0.000 1.062 37 A CA -1.244 50.882 52.037 0.149 0.000 0.686 37 A CB 1.282 20.285 19.000 0.005 0.000 1.282 37 A HN 0.590 nan 8.150 nan 0.000 0.404 38 P HA 0.279 nan 4.420 nan 0.000 0.274 38 P C -0.580 176.861 177.300 0.236 0.000 1.231 38 P CA -0.237 62.983 63.100 0.199 0.000 0.790 38 P CB 0.555 32.320 31.700 0.108 0.000 0.951 39 R N 0.534 121.076 120.500 0.070 0.000 2.570 39 R HA 0.279 4.619 4.340 -0.001 0.000 0.277 39 R C 1.404 177.642 176.300 -0.103 0.000 1.039 39 R CA 1.103 57.097 56.100 -0.177 0.000 1.065 39 R CB -0.407 29.787 30.300 -0.175 0.000 0.964 39 R HN 0.907 nan 8.270 nan 0.000 0.428 40 G N 1.632 110.329 108.800 -0.172 0.000 2.199 40 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.254 40 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.254 40 G C 0.513 175.427 174.900 0.023 0.000 0.982 40 G CA -0.111 44.952 45.100 -0.062 0.000 0.632 40 G HN 0.894 nan 8.290 nan 0.000 0.529 41 G N -0.172 108.701 108.800 0.123 0.000 2.527 41 G HA2 0.506 4.466 3.960 -0.001 0.000 0.248 41 G HA3 0.506 4.466 3.960 -0.001 0.000 0.248 41 G C 0.182 175.143 174.900 0.101 0.000 1.231 41 G CA -0.428 44.747 45.100 0.125 0.000 0.838 41 G HN 0.513 nan 8.290 nan 0.000 0.570 42 R N 0.108 120.643 120.500 0.058 0.000 2.298 42 R HA 0.345 4.684 4.340 -0.001 0.000 0.310 42 R C -0.603 175.796 176.300 0.166 0.000 1.068 42 R CA -0.324 55.840 56.100 0.106 0.000 0.957 42 R CB 1.331 31.666 30.300 0.057 0.000 1.003 42 R HN 0.246 nan 8.270 nan 0.000 0.454 43 V N 5.299 125.255 119.914 0.070 0.000 2.417 43 V HA 0.383 4.503 4.120 -0.001 0.000 0.291 43 V C -0.330 175.816 176.094 0.087 0.000 1.024 43 V CA -0.754 61.516 62.300 -0.051 0.000 0.861 43 V CB 1.734 33.372 31.823 -0.308 0.000 0.985 43 V HN 0.538 nan 8.190 nan 0.000 0.436 44 L N 4.343 125.540 121.223 -0.043 0.000 2.381 44 L HA 0.694 5.034 4.340 -0.001 0.000 0.268 44 L C -0.715 176.066 176.870 -0.147 0.000 0.997 44 L CA -0.328 54.413 54.840 -0.165 0.000 0.818 44 L CB 2.196 43.855 42.059 -0.667 0.000 1.310 44 L HN 0.894 nan 8.230 nan 0.000 0.416 45 E N 5.864 125.984 120.200 -0.133 0.000 2.235 45 E HA 0.484 4.834 4.350 -0.001 0.000 0.252 45 E C -2.567 173.884 176.600 -0.248 0.000 0.886 45 E CA -1.994 54.316 56.400 -0.149 0.000 0.767 45 E CB 1.907 31.573 29.700 -0.056 0.000 1.205 45 E HN 0.366 nan 8.360 nan 0.000 0.421 46 P HA 0.134 nan 4.420 nan 0.000 0.276 46 P C -0.783 176.325 177.300 -0.319 0.000 1.230 46 P CA 0.272 63.025 63.100 -0.580 0.000 0.776 46 P CB 1.273 32.365 31.700 -1.013 0.000 0.888 47 A N 2.238 124.949 122.820 -0.182 0.000 2.800 47 A HA -0.246 4.073 4.320 -0.001 0.000 0.292 47 A C 1.556 179.047 177.584 -0.156 0.000 1.474 47 A CA 0.859 52.821 52.037 -0.126 0.000 0.744 47 A CB -2.404 16.480 19.000 -0.194 0.000 1.044 47 A HN 0.802 nan 8.150 nan 0.000 0.489 48 C N -2.642 116.574 119.300 -0.141 0.000 2.435 48 C HA 0.366 4.826 4.460 -0.001 0.000 0.279 48 C C 2.414 177.336 174.990 -0.113 0.000 1.321 48 C CA 1.100 60.044 59.018 -0.124 0.000 1.752 48 C CB -1.368 26.300 27.740 -0.120 0.000 1.959 48 C HN 2.717 nan 8.230 nan 0.000 0.500 49 A N 2.015 124.793 122.820 -0.070 0.000 5.122 49 A HA -0.373 3.947 4.320 -0.001 0.000 0.315 49 A C 1.249 178.841 177.584 0.014 0.000 1.926 49 A CA 2.264 54.300 52.037 -0.002 0.000 0.712 49 A CB -2.540 16.500 19.000 0.067 0.000 1.325 49 A HN 1.457 nan 8.150 nan 0.000 0.371 50 H N 0.131 119.158 119.070 -0.072 0.000 2.524 50 H HA 0.490 5.046 4.556 -0.000 0.000 0.280 50 H C 1.170 176.448 175.328 -0.083 0.000 1.018 50 H CA 0.765 56.764 56.048 -0.081 0.000 1.165 50 H CB -0.497 29.222 29.762 -0.071 0.000 1.411 50 H HN 2.366 nan 8.280 nan 0.000 0.569 51 G N 1.596 110.191 108.800 -0.341 0.000 2.353 51 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.294 51 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.294 51 G C -1.715 173.020 174.900 -0.275 0.000 1.077 51 G CA 0.027 44.978 45.100 -0.249 0.000 1.098 51 G HN 0.413 nan 8.290 nan 0.000 0.511 52 P HA -0.064 nan 4.420 nan 0.000 0.216 52 P C 1.657 178.765 177.300 -0.320 0.000 1.150 52 P CA 0.961 63.816 63.100 -0.408 0.000 0.837 52 P CB -0.045 31.351 31.700 -0.507 0.000 0.786 53 F N -2.032 117.875 119.950 -0.073 0.000 2.293 53 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 53 F C 2.041 177.888 175.800 0.078 0.000 1.089 53 F CA 0.571 58.575 58.000 0.007 0.000 1.377 53 F CB -1.056 37.930 39.000 -0.022 0.000 1.051 53 F HN -0.205 nan 8.300 nan 0.000 0.511 54 L N 0.292 121.645 121.223 0.216 0.000 2.017 54 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 54 L C 2.369 179.388 176.870 0.248 0.000 1.073 54 L CA 1.672 56.656 54.840 0.240 0.000 0.745 54 L CB -0.898 41.264 42.059 0.172 0.000 0.894 54 L HN 0.012 nan 8.230 nan 0.000 0.432 55 R N -1.074 119.559 120.500 0.222 0.000 2.073 55 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 55 R C 2.241 178.592 176.300 0.085 0.000 1.134 55 R CA 1.349 57.572 56.100 0.206 0.000 0.952 55 R CB -0.675 29.710 30.300 0.142 0.000 0.850 55 R HN 0.370 nan 8.270 nan 0.000 0.433 56 A N 0.723 123.582 122.820 0.064 0.000 1.933 56 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 56 A C 1.984 179.646 177.584 0.130 0.000 1.175 56 A CA 1.062 53.131 52.037 0.054 0.000 0.628 56 A CB -0.599 18.399 19.000 -0.002 0.000 0.814 56 A HN 0.355 nan 8.150 nan 0.000 0.444 57 F N 0.315 120.306 119.950 0.068 0.000 2.102 57 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 57 F C 2.398 178.267 175.800 0.115 0.000 1.105 57 F CA 1.989 60.053 58.000 0.106 0.000 1.239 57 F CB -0.205 38.846 39.000 0.084 0.000 0.991 57 F HN 0.164 nan 8.300 nan 0.000 0.474 58 R N 0.484 121.080 120.500 0.161 0.000 2.091 58 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 58 R C 2.095 178.342 176.300 -0.088 0.000 1.136 58 R CA 2.103 58.187 56.100 -0.027 0.000 0.959 58 R CB -0.346 29.611 30.300 -0.572 0.000 0.856 58 R HN 0.425 nan 8.270 nan 0.000 0.437 59 E N -0.819 119.328 120.200 -0.089 0.000 2.204 59 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 59 E C 1.641 178.192 176.600 -0.083 0.000 0.989 59 E CA 1.033 57.386 56.400 -0.079 0.000 0.824 59 E CB 0.094 29.763 29.700 -0.051 0.000 0.756 59 E HN 0.428 nan 8.360 nan 0.000 0.477 60 A N 0.091 122.854 122.820 -0.095 0.000 2.014 60 A HA 0.009 4.329 4.320 -0.001 0.000 0.210 60 A C 1.226 178.613 177.584 -0.327 0.000 1.188 60 A CA 0.627 52.564 52.037 -0.167 0.000 0.731 60 A CB -0.094 18.839 19.000 -0.111 0.000 0.858 60 A HN 0.134 nan 8.150 nan 0.000 0.464 61 H N -1.346 117.490 119.070 -0.390 0.000 2.827 61 H HA 0.443 4.998 4.556 -0.001 0.000 0.269 61 H C 0.996 176.324 175.328 -0.000 0.000 1.031 61 H CA 0.403 56.234 56.048 -0.362 0.000 1.202 61 H CB 0.754 29.903 29.762 -1.021 0.000 1.511 61 H HN 0.729 nan 8.280 nan 0.000 0.517 62 G N -0.151 108.721 108.800 0.121 0.000 2.592 62 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.684 62 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.684 62 G C 0.908 176.008 174.900 0.334 0.000 1.291 62 G CA -0.113 45.092 45.100 0.175 0.000 0.891 62 G HN 0.316 nan 8.290 nan 0.000 0.544 63 T N -2.388 112.272 114.554 0.177 0.000 3.081 63 T HA 0.388 4.737 4.350 -0.001 0.000 0.250 63 T C 1.845 176.643 174.700 0.162 0.000 1.100 63 T CA 1.423 63.654 62.100 0.219 0.000 1.038 63 T CB 0.462 69.359 68.868 0.049 0.000 0.962 63 T HN 1.948 nan 8.240 nan 0.000 0.516 64 G N 0.953 109.677 108.800 -0.125 0.000 3.325 64 G HA2 0.433 4.392 3.960 -0.001 0.000 0.242 64 G HA3 0.433 4.392 3.960 -0.001 0.000 0.242 64 G C -0.876 173.611 174.900 -0.689 0.000 1.120 64 G CA -0.336 44.535 45.100 -0.381 0.000 1.778 64 G HN 0.566 nan 8.290 nan 0.000 0.610 65 Y N -1.967 118.270 120.300 -0.105 0.000 2.655 65 Y HA 0.522 5.072 4.550 -0.001 0.000 0.336 65 Y C 0.116 175.730 175.900 -0.476 0.000 1.154 65 Y CA -1.542 56.368 58.100 -0.316 0.000 1.055 65 Y CB 1.523 39.702 38.460 -0.467 0.000 1.295 65 Y HN 0.000 nan 8.280 nan 0.000 0.465 66 R N 1.577 121.963 120.500 -0.189 0.000 2.207 66 R HA 0.525 4.864 4.340 -0.001 0.000 0.334 66 R C -2.039 174.182 176.300 -0.132 0.000 1.013 66 R CA -0.332 55.719 56.100 -0.082 0.000 0.858 66 R CB 0.206 30.529 30.300 0.038 0.000 1.094 66 R HN 0.552 nan 8.270 nan 0.000 0.457 67 F N 4.092 124.225 119.950 0.304 0.000 2.415 67 F HA 0.407 4.934 4.527 -0.000 0.000 0.348 67 F C -0.089 175.841 175.800 0.216 0.000 1.119 67 F CA -0.683 57.491 58.000 0.289 0.000 1.069 67 F CB 1.840 41.111 39.000 0.451 0.000 1.124 67 F HN 0.071 nan 8.300 nan 0.000 0.472 68 V N 1.645 121.766 119.914 0.344 0.000 2.876 68 V HA 0.920 5.039 4.120 -0.001 0.000 0.312 68 V C -0.104 176.038 176.094 0.080 0.000 1.085 68 V CA -0.927 61.507 62.300 0.224 0.000 0.945 68 V CB 2.032 34.060 31.823 0.341 0.000 1.017 68 V HN 0.911 nan 8.190 nan 0.000 0.428 69 G N 1.515 110.307 108.800 -0.013 0.000 2.687 69 G HA2 0.628 4.588 3.960 -0.001 0.000 0.301 69 G HA3 0.628 4.588 3.960 -0.001 0.000 0.301 69 G C -1.657 173.134 174.900 -0.181 0.000 1.416 69 G CA -0.503 44.538 45.100 -0.099 0.000 1.005 69 G HN 0.548 nan 8.290 nan 0.000 0.509 70 V N 1.663 121.426 119.914 -0.251 0.000 2.357 70 V HA 0.588 4.707 4.120 -0.001 0.000 0.284 70 V C -0.453 175.536 176.094 -0.176 0.000 1.018 70 V CA -0.635 61.479 62.300 -0.310 0.000 0.841 70 V CB 1.257 32.810 31.823 -0.450 0.000 0.991 70 V HN 0.827 nan 8.190 nan 0.000 0.437 71 E N 3.441 123.562 120.200 -0.132 0.000 2.272 71 E HA 0.456 4.806 4.350 -0.001 0.000 0.269 71 E C 0.030 176.609 176.600 -0.037 0.000 0.877 71 E CA -0.527 55.833 56.400 -0.067 0.000 0.755 71 E CB 2.012 31.674 29.700 -0.064 0.000 1.192 71 E HN 0.513 nan 8.360 nan 0.000 0.422 72 I N 1.920 122.495 120.570 0.009 0.000 3.030 72 I HA 0.107 4.276 4.170 -0.001 0.000 0.270 72 I C -0.117 176.012 176.117 0.019 0.000 1.211 72 I CA 0.452 61.770 61.300 0.030 0.000 1.479 72 I CB 0.516 38.564 38.000 0.079 0.000 1.105 72 I HN 0.451 nan 8.210 nan 0.000 0.447 73 D N 1.524 121.929 120.400 0.008 0.000 2.412 73 D HA 0.172 4.811 4.640 -0.001 0.000 0.224 73 D C -1.581 174.715 176.300 -0.007 0.000 1.093 73 D CA -2.713 51.289 54.000 0.003 0.000 0.850 73 D CB 1.348 42.150 40.800 0.002 0.000 1.046 73 D HN 0.058 nan 8.370 nan 0.000 0.507 74 P HA -0.173 nan 4.420 nan 0.000 0.221 74 P C 1.071 178.363 177.300 -0.014 0.000 1.145 74 P CA 0.832 63.925 63.100 -0.012 0.000 0.795 74 P CB 0.496 32.192 31.700 -0.007 0.000 0.775 75 K N -0.301 120.092 120.400 -0.012 0.000 2.296 75 K HA 0.067 4.386 4.320 -0.001 0.000 0.200 75 K C 2.006 178.595 176.600 -0.017 0.000 1.048 75 K CA 0.866 57.144 56.287 -0.014 0.000 0.966 75 K CB -0.161 32.332 32.500 -0.013 0.000 0.754 75 K HN -0.001 nan 8.250 nan 0.000 0.466 76 A N 0.396 123.207 122.820 -0.015 0.000 2.044 76 A HA 0.077 4.397 4.320 -0.001 0.000 0.213 76 A C 0.533 178.111 177.584 -0.010 0.000 1.169 76 A CA -0.165 51.865 52.037 -0.013 0.000 0.724 76 A CB 0.045 19.038 19.000 -0.012 0.000 0.840 76 A HN 0.230 nan 8.150 nan 0.000 0.463 77 L N 1.743 122.953 121.223 -0.021 0.000 2.638 77 L HA 0.263 4.602 4.340 -0.001 0.000 0.273 77 L C -0.885 175.966 176.870 -0.032 0.000 1.147 77 L CA 0.384 55.205 54.840 -0.033 0.000 0.941 77 L CB -0.384 41.650 42.059 -0.042 0.000 1.251 77 L HN 0.227 nan 8.230 nan 0.000 0.479 78 D N 4.705 125.089 120.400 -0.026 0.000 2.621 78 D HA 0.280 4.920 4.640 -0.001 0.000 0.274 78 D C -1.099 175.168 176.300 -0.055 0.000 1.215 78 D CA -0.203 53.780 54.000 -0.029 0.000 0.810 78 D CB 0.139 40.938 40.800 -0.002 0.000 1.248 78 D HN 0.417 nan 8.370 nan 0.000 0.517 79 L N 2.342 123.494 121.223 -0.119 0.000 2.334 79 L HA 0.622 4.962 4.340 -0.001 0.000 0.275 79 L C -1.607 175.080 176.870 -0.305 0.000 1.036 79 L CA -1.731 52.973 54.840 -0.226 0.000 0.807 79 L CB 1.497 43.408 42.059 -0.246 0.000 1.231 79 L HN 0.200 nan 8.230 nan 0.000 0.438 80 P HA 0.176 nan 4.420 nan 0.000 0.272 80 P C -2.350 174.585 177.300 -0.607 0.000 1.240 80 P CA -1.292 61.480 63.100 -0.547 0.000 0.791 80 P CB 0.214 31.474 31.700 -0.733 0.000 0.978 81 P HA -0.156 nan 4.420 nan 0.000 0.216 81 P C 1.455 178.717 177.300 -0.063 0.000 1.154 81 P CA 1.710 64.731 63.100 -0.132 0.000 0.865 81 P CB -0.486 31.220 31.700 0.010 0.000 0.789 82 W N -1.051 120.284 121.300 0.059 0.000 2.825 82 W HA 0.358 5.017 4.660 -0.000 0.000 0.243 82 W C 0.130 176.750 176.519 0.169 0.000 1.293 82 W CA 0.066 57.477 57.345 0.111 0.000 1.403 82 W CB -1.011 28.511 29.460 0.103 0.000 1.134 82 W HN -0.106 nan 8.180 nan 0.000 0.666 83 A N 1.520 124.218 122.820 -0.203 0.000 2.325 83 A HA 0.410 4.729 4.320 -0.001 0.000 0.333 83 A C -0.618 176.960 177.584 -0.010 0.000 1.155 83 A CA -0.636 51.355 52.037 -0.075 0.000 0.814 83 A CB 1.166 19.880 19.000 -0.477 0.000 1.206 83 A HN 0.225 nan 8.150 nan 0.000 0.482 84 E N 1.557 121.817 120.200 0.100 0.000 2.146 84 E HA 0.478 4.828 4.350 -0.001 0.000 0.282 84 E C 0.101 176.720 176.600 0.030 0.000 0.989 84 E CA -0.381 56.066 56.400 0.079 0.000 0.799 84 E CB 1.033 30.819 29.700 0.143 0.000 1.088 84 E HN 0.756 nan 8.360 nan 0.000 0.397 85 G N 4.954 113.749 108.800 -0.010 0.000 2.343 85 G HA2 0.482 4.442 3.960 -0.001 0.000 0.319 85 G HA3 0.482 4.442 3.960 -0.001 0.000 0.319 85 G C -0.548 174.324 174.900 -0.047 0.000 1.126 85 G CA -0.513 44.560 45.100 -0.045 0.000 0.889 85 G HN 0.466 nan 8.290 nan 0.000 0.457 86 I N 2.478 122.984 120.570 -0.106 0.000 2.406 86 I HA 0.282 4.452 4.170 -0.001 0.000 0.290 86 I C -0.283 175.734 176.117 -0.165 0.000 0.999 86 I CA -0.775 60.435 61.300 -0.150 0.000 1.124 86 I CB 1.825 39.633 38.000 -0.320 0.000 1.289 86 I HN 0.276 nan 8.210 nan 0.000 0.441 87 L N 6.140 127.303 121.223 -0.100 0.000 2.282 87 L HA 0.658 4.998 4.340 -0.001 0.000 0.287 87 L C 0.044 176.873 176.870 -0.068 0.000 1.075 87 L CA 0.048 54.846 54.840 -0.069 0.000 0.839 87 L CB 0.620 42.662 42.059 -0.029 0.000 1.219 87 L HN 0.872 nan 8.230 nan 0.000 0.434 88 A N 2.801 125.571 122.820 -0.084 0.000 2.566 88 A HA 0.309 4.629 4.320 -0.001 0.000 0.290 88 A C -1.614 175.990 177.584 0.034 0.000 1.071 88 A CA -0.719 51.297 52.037 -0.034 0.000 0.658 88 A CB 1.239 20.181 19.000 -0.097 0.000 1.285 88 A HN 0.444 nan 8.150 nan 0.000 0.427 89 D N 0.818 121.285 120.400 0.111 0.000 2.422 89 D HA 0.240 4.880 4.640 -0.001 0.000 0.227 89 D C 0.885 177.313 176.300 0.213 0.000 1.190 89 D CA -0.360 53.748 54.000 0.179 0.000 0.905 89 D CB -0.088 40.832 40.800 0.199 0.000 1.034 89 D HN 0.415 nan 8.370 nan 0.000 0.507 90 F N 4.156 124.129 119.950 0.039 0.000 2.111 90 F HA -0.281 4.245 4.527 -0.000 0.000 0.300 90 F C 1.651 177.483 175.800 0.053 0.000 1.088 90 F CA 1.592 59.612 58.000 0.034 0.000 1.243 90 F CB -0.164 38.788 39.000 -0.081 0.000 0.996 90 F HN 0.455 nan 8.300 nan 0.000 0.483 91 L N -0.453 120.676 121.223 -0.158 0.000 2.265 91 L HA -0.189 4.150 4.340 -0.001 0.000 0.215 91 L C 1.712 178.627 176.870 0.075 0.000 1.117 91 L CA 0.951 55.720 54.840 -0.119 0.000 0.782 91 L CB -0.515 41.469 42.059 -0.124 0.000 0.914 91 L HN 0.250 nan 8.230 nan 0.000 0.441 92 L N -2.497 118.799 121.223 0.121 0.000 2.906 92 L HA 0.134 4.474 4.340 -0.001 0.000 0.255 92 L C 0.029 176.974 176.870 0.125 0.000 1.166 92 L CA -0.569 54.334 54.840 0.105 0.000 0.977 92 L CB 0.160 42.304 42.059 0.142 0.000 1.313 92 L HN 0.198 nan 8.230 nan 0.000 0.549 93 W N 2.603 123.847 121.300 -0.094 0.000 2.316 93 W HA 0.292 4.952 4.660 -0.000 0.000 0.311 93 W C -0.009 176.468 176.519 -0.070 0.000 1.217 93 W CA -0.256 57.058 57.345 -0.051 0.000 1.199 93 W CB 0.797 30.256 29.460 -0.002 0.000 1.202 93 W HN -0.105 nan 8.180 nan 0.000 0.528 94 E N 7.901 127.873 120.200 -0.379 0.000 2.346 94 E HA 0.129 4.478 4.350 -0.001 0.000 0.239 94 E C -1.451 174.762 176.600 -0.644 0.000 0.943 94 E CA -1.519 54.597 56.400 -0.474 0.000 0.751 94 E CB 1.278 30.843 29.700 -0.224 0.000 1.241 94 E HN 0.443 nan 8.360 nan 0.000 0.423 95 P HA -0.029 nan 4.420 nan 0.000 0.225 95 P C 0.861 177.992 177.300 -0.282 0.000 1.156 95 P CA 0.896 63.581 63.100 -0.693 0.000 0.787 95 P CB 0.506 31.659 31.700 -0.912 0.000 0.802 96 G N 1.034 109.681 108.800 -0.256 0.000 2.155 96 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.257 96 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.257 96 G C -0.098 174.718 174.900 -0.140 0.000 0.983 96 G CA 0.580 45.589 45.100 -0.153 0.000 0.676 96 G HN 0.673 nan 8.290 nan 0.000 0.528 97 E N -1.040 119.052 120.200 -0.180 0.000 2.393 97 E HA 0.812 5.162 4.350 -0.001 0.000 0.273 97 E C -0.349 176.103 176.600 -0.247 0.000 0.918 97 E CA -0.723 55.541 56.400 -0.227 0.000 0.773 97 E CB 1.879 31.401 29.700 -0.297 0.000 1.275 97 E HN 1.053 nan 8.360 nan 0.000 0.451 98 A N 1.837 124.495 122.820 -0.270 0.000 2.355 98 A HA 0.716 5.036 4.320 -0.001 0.000 0.324 98 A C -1.391 176.027 177.584 -0.277 0.000 1.117 98 A CA -0.692 51.270 52.037 -0.125 0.000 0.785 98 A CB 0.539 19.516 19.000 -0.039 0.000 1.254 98 A HN 0.475 nan 8.150 nan 0.000 0.453 99 F N 0.011 119.986 119.950 0.042 0.000 2.497 99 F HA 0.375 4.902 4.527 -0.000 0.000 0.331 99 F C 1.116 176.931 175.800 0.026 0.000 1.060 99 F CA -0.531 57.496 58.000 0.046 0.000 0.989 99 F CB 1.565 40.612 39.000 0.079 0.000 1.245 99 F HN 0.687 nan 8.300 nan 0.000 0.486 100 D N 0.243 120.757 120.400 0.190 0.000 2.262 100 D HA 0.074 4.714 4.640 -0.001 0.000 0.212 100 D C -0.240 176.099 176.300 0.064 0.000 0.964 100 D CA 1.073 55.130 54.000 0.095 0.000 0.875 100 D CB 0.744 41.583 40.800 0.064 0.000 0.996 100 D HN 0.144 nan 8.370 nan 0.000 0.497 101 L N 0.748 121.999 121.223 0.046 0.000 2.455 101 L HA 0.456 4.796 4.340 -0.001 0.000 0.264 101 L C -1.824 175.010 176.870 -0.060 0.000 0.968 101 L CA -0.526 54.280 54.840 -0.057 0.000 0.827 101 L CB 2.441 44.366 42.059 -0.222 0.000 1.317 101 L HN -0.214 nan 8.230 nan 0.000 0.407 102 I N 6.083 126.609 120.570 -0.074 0.000 2.499 102 I HA 0.528 4.698 4.170 -0.001 0.000 0.288 102 I C -1.400 174.678 176.117 -0.065 0.000 1.048 102 I CA -0.760 60.491 61.300 -0.081 0.000 1.062 102 I CB 1.869 39.828 38.000 -0.070 0.000 1.238 102 I HN 0.484 nan 8.210 nan 0.000 0.426 103 L N 4.263 125.459 121.223 -0.046 0.000 2.424 103 L HA 1.132 5.472 4.340 -0.001 0.000 0.258 103 L C -0.182 176.517 176.870 -0.286 0.000 0.995 103 L CA -0.774 54.022 54.840 -0.075 0.000 0.821 103 L CB 1.256 43.212 42.059 -0.173 0.000 1.383 103 L HN 0.729 nan 8.230 nan 0.000 0.410 104 G N 0.406 108.813 108.800 -0.655 0.000 2.324 104 G HA2 0.210 4.170 3.960 -0.001 0.000 0.293 104 G HA3 0.210 4.170 3.960 -0.001 0.000 0.293 104 G C -2.173 172.084 174.900 -1.072 0.000 1.297 104 G CA -0.737 43.708 45.100 -1.093 0.000 0.853 104 G HN 0.945 nan 8.290 nan 0.000 0.535 105 N N 1.415 119.670 118.700 -0.743 0.000 2.569 105 N HA 0.557 5.297 4.740 -0.001 0.000 0.254 105 N C -2.423 172.694 175.510 -0.656 0.000 1.004 105 N CA -1.475 51.257 53.050 -0.529 0.000 0.904 105 N CB 2.159 40.531 38.487 -0.191 0.000 1.165 105 N HN 0.404 nan 8.380 nan 0.000 0.513 106 P HA 0.293 nan 4.420 nan 0.000 0.276 106 P C -2.889 173.997 177.300 -0.689 0.000 1.244 106 P CA -1.301 61.245 63.100 -0.922 0.000 0.801 106 P CB 0.842 32.001 31.700 -0.902 0.000 1.006 107 P HA 0.084 nan 4.420 nan 0.000 0.271 107 P C -0.891 176.324 177.300 -0.141 0.000 1.216 107 P CA 0.354 63.172 63.100 -0.469 0.000 0.776 107 P CB 0.166 31.671 31.700 -0.324 0.000 0.881 108 Y N 0.986 121.187 120.300 -0.166 0.000 2.387 108 Y HA 0.680 5.230 4.550 -0.000 0.000 0.330 108 Y C 1.387 177.284 175.900 -0.006 0.000 1.133 108 Y CA -0.719 57.361 58.100 -0.035 0.000 1.152 108 Y CB 1.115 39.527 38.460 -0.079 0.000 1.215 108 Y HN 0.854 nan 8.280 nan 0.000 0.466 109 G N 1.248 110.173 108.800 0.209 0.000 2.357 109 G HA2 0.133 4.092 3.960 -0.001 0.000 0.643 109 G HA3 0.133 4.092 3.960 -0.001 0.000 0.643 109 G C -1.508 173.441 174.900 0.081 0.000 1.358 109 G CA -1.045 44.127 45.100 0.121 0.000 0.986 109 G HN 0.535 nan 8.290 nan 0.000 0.620 110 I N -0.519 120.103 120.570 0.087 0.000 3.076 110 I HA 0.785 4.955 4.170 -0.001 0.000 0.313 110 I C 0.975 177.187 176.117 0.158 0.000 1.053 110 I CA -1.302 60.064 61.300 0.110 0.000 1.048 110 I CB 1.610 39.669 38.000 0.098 0.000 1.264 110 I HN 0.729 nan 8.210 nan 0.000 0.498 124 A N 1.397 124.139 122.820 -0.129 0.000 2.826 124 A HA -0.269 4.051 4.320 -0.001 0.000 0.216 124 A C 1.120 178.560 177.584 -0.241 0.000 0.684 124 A CA 1.497 53.442 52.037 -0.153 0.000 1.579 124 A CB -2.298 16.636 19.000 -0.110 0.000 1.169 124 A HN 1.322 nan 8.150 nan 0.000 0.672 125 V N 0.103 119.852 119.914 -0.274 0.000 2.453 125 V HA -0.040 4.079 4.120 -0.001 0.000 0.247 125 V C 2.143 177.755 176.094 -0.803 0.000 1.048 125 V CA 3.030 65.038 62.300 -0.486 0.000 1.049 125 V CB -0.678 30.948 31.823 -0.327 0.000 0.672 125 V HN 0.949 nan 8.190 nan 0.000 0.457 126 K N 0.317 120.484 120.400 -0.388 0.000 1.965 126 K HA -0.227 4.092 4.320 -0.001 0.000 0.214 126 K C 2.175 178.576 176.600 -0.332 0.000 1.042 126 K CA 2.070 58.227 56.287 -0.218 0.000 0.950 126 K CB -0.922 31.577 32.500 -0.002 0.000 0.733 126 K HN 0.414 nan 8.250 nan 0.000 0.441 127 D N 0.660 120.909 120.400 -0.251 0.000 2.191 127 D HA -0.229 4.411 4.640 -0.001 0.000 0.190 127 D C 1.903 178.043 176.300 -0.268 0.000 1.007 127 D CA 1.299 55.154 54.000 -0.242 0.000 0.865 127 D CB -0.163 40.537 40.800 -0.165 0.000 0.929 127 D HN 0.224 nan 8.370 nan 0.000 0.447 128 L N 0.343 121.402 121.223 -0.273 0.000 1.990 128 L HA -0.244 4.096 4.340 -0.001 0.000 0.213 128 L C 2.433 179.194 176.870 -0.182 0.000 1.072 128 L CA 1.713 56.411 54.840 -0.235 0.000 0.755 128 L CB -1.286 40.608 42.059 -0.275 0.000 0.889 128 L HN 0.149 nan 8.230 nan 0.000 0.432 129 Y N 0.711 120.867 120.300 -0.240 0.000 2.114 129 Y HA -0.274 4.276 4.550 -0.001 0.000 0.282 129 Y C 2.683 178.347 175.900 -0.394 0.000 1.165 129 Y CA 1.150 59.129 58.100 -0.203 0.000 1.148 129 Y CB -0.892 37.429 38.460 -0.232 0.000 0.972 129 Y HN 0.250 nan 8.280 nan 0.000 0.504 130 K N 0.322 120.384 120.400 -0.564 0.000 2.113 130 K HA -0.220 4.100 4.320 -0.001 0.000 0.208 130 K C 1.935 178.366 176.600 -0.281 0.000 1.047 130 K CA 1.799 57.709 56.287 -0.628 0.000 0.928 130 K CB -0.257 31.880 32.500 -0.605 0.000 0.716 130 K HN 0.382 nan 8.250 nan 0.000 0.446 131 K N 0.455 120.711 120.400 -0.240 0.000 2.057 131 K HA -0.056 4.264 4.320 -0.001 0.000 0.206 131 K C 2.236 178.704 176.600 -0.220 0.000 1.050 131 K CA 1.154 57.328 56.287 -0.188 0.000 0.935 131 K CB -0.136 32.262 32.500 -0.170 0.000 0.715 131 K HN 0.094 nan 8.250 nan 0.000 0.439 132 A N 1.018 123.653 122.820 -0.308 0.000 1.969 132 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 132 A C 0.379 177.514 177.584 -0.749 0.000 1.169 132 A CA 0.947 52.642 52.037 -0.571 0.000 0.635 132 A CB -0.217 18.315 19.000 -0.780 0.000 0.810 132 A HN 0.147 nan 8.150 nan 0.000 0.445 133 F N -0.379 119.546 119.950 -0.041 0.000 2.426 133 F HA 0.337 4.863 4.527 -0.001 0.000 0.348 133 F C 1.511 177.281 175.800 -0.049 0.000 1.124 133 F CA -0.287 57.700 58.000 -0.022 0.000 1.008 133 F CB 1.689 40.758 39.000 0.116 0.000 1.139 133 F HN 0.104 nan 8.300 nan 0.000 0.452 134 S N -0.511 115.220 115.700 0.052 0.000 2.428 134 S HA -0.148 4.321 4.470 -0.001 0.000 0.230 134 S C 1.683 176.248 174.600 -0.057 0.000 1.014 134 S CA 1.204 59.395 58.200 -0.014 0.000 0.957 134 S CB -0.793 62.395 63.200 -0.020 0.000 0.784 134 S HN 0.738 nan 8.310 nan 0.000 0.499 135 T N -2.960 111.517 114.554 -0.128 0.000 3.129 135 T HA 0.071 4.421 4.350 -0.001 0.000 0.251 135 T C 0.255 174.632 174.700 -0.538 0.000 1.117 135 T CA -0.565 61.405 62.100 -0.217 0.000 1.034 135 T CB -0.567 68.184 68.868 -0.194 0.000 0.968 135 T HN 0.518 nan 8.240 nan 0.000 0.526 136 W N 3.139 124.035 121.300 -0.673 0.000 2.446 136 W HA 0.444 5.103 4.660 -0.001 0.000 0.316 136 W C -0.229 175.874 176.519 -0.693 0.000 1.376 136 W CA -0.453 56.267 57.345 -1.042 0.000 1.300 136 W CB 0.146 29.357 29.460 -0.416 0.000 1.351 136 W HN 0.190 nan 8.180 nan 0.000 0.530 137 K N 4.849 124.788 120.400 -0.768 0.000 2.464 137 K HA 0.485 4.805 4.320 -0.001 0.000 0.253 137 K C 0.575 177.058 176.600 -0.195 0.000 0.933 137 K CA 0.207 56.331 56.287 -0.271 0.000 0.801 137 K CB 1.272 33.634 32.500 -0.230 0.000 1.271 137 K HN 0.681 nan 8.250 nan 0.000 0.430 138 G N 3.621 112.400 108.800 -0.035 0.000 2.582 138 G HA2 -0.444 3.516 3.960 -0.001 0.000 0.288 138 G HA3 -0.444 3.516 3.960 -0.001 0.000 0.288 138 G C 0.565 175.493 174.900 0.047 0.000 1.247 138 G CA 0.757 45.853 45.100 -0.006 0.000 0.972 138 G HN 0.849 nan 8.290 nan 0.000 0.557 139 K N -1.387 119.015 120.400 0.004 0.000 2.148 139 K HA 0.078 4.397 4.320 -0.001 0.000 0.204 139 K C 1.462 178.030 176.600 -0.053 0.000 1.050 139 K CA 1.419 57.731 56.287 0.042 0.000 0.942 139 K CB 0.094 32.604 32.500 0.017 0.000 0.724 139 K HN 1.283 nan 8.250 nan 0.000 0.446 140 Y N 0.913 120.922 120.300 -0.485 0.000 2.930 140 Y HA -0.338 4.212 4.550 -0.000 0.000 0.460 140 Y C -0.530 175.020 175.900 -0.583 0.000 1.220 140 Y CA 0.809 58.398 58.100 -0.851 0.000 2.375 140 Y CB -0.870 36.673 38.460 -1.527 0.000 1.258 140 Y HN 0.564 nan 8.280 nan 0.000 0.628 141 N N 0.102 118.176 118.700 -1.043 0.000 2.555 141 N HA 0.235 4.975 4.740 -0.001 0.000 0.265 141 N C 0.258 175.364 175.510 -0.673 0.000 1.135 141 N CA 0.051 52.730 53.050 -0.618 0.000 0.925 141 N CB 1.042 39.240 38.487 -0.482 0.000 1.662 141 N HN 0.678 nan 8.380 nan 0.000 0.489 142 L N 2.019 123.095 121.223 -0.245 0.000 2.081 142 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 142 L C 2.197 179.065 176.870 -0.003 0.000 1.080 142 L CA 1.766 56.572 54.840 -0.058 0.000 0.754 142 L CB -0.585 41.548 42.059 0.123 0.000 0.893 142 L HN 0.700 nan 8.230 nan 0.000 0.433 143 Y N -0.797 119.452 120.300 -0.085 0.000 2.403 143 Y HA -0.032 4.518 4.550 -0.001 0.000 0.291 143 Y C 2.150 177.984 175.900 -0.109 0.000 1.143 143 Y CA 0.831 58.886 58.100 -0.074 0.000 1.257 143 Y CB -1.310 37.081 38.460 -0.115 0.000 0.984 143 Y HN -0.026 nan 8.280 nan 0.000 0.550 144 G N 0.526 108.912 108.800 -0.691 0.000 2.394 144 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.215 144 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.215 144 G C 1.825 176.555 174.900 -0.283 0.000 1.165 144 G CA 0.869 45.600 45.100 -0.616 0.000 0.784 144 G HN 0.630 nan 8.290 nan 0.000 0.535 145 A N 0.385 123.003 122.820 -0.336 0.000 1.898 145 A HA 0.142 4.462 4.320 -0.001 0.000 0.216 145 A C 2.145 179.458 177.584 -0.451 0.000 1.181 145 A CA 1.171 52.848 52.037 -0.600 0.000 0.620 145 A CB -0.556 17.983 19.000 -0.767 0.000 0.819 145 A HN 0.266 nan 8.150 nan 0.000 0.442 146 F N -0.076 119.765 119.950 -0.182 0.000 2.171 146 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 146 F C 2.126 178.052 175.800 0.209 0.000 1.090 146 F CA 1.373 59.468 58.000 0.157 0.000 1.293 146 F CB -0.321 38.824 39.000 0.240 0.000 1.013 146 F HN 0.121 nan 8.300 nan 0.000 0.486 147 L N -0.306 121.061 121.223 0.239 0.000 1.994 147 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 147 L C 2.551 179.387 176.870 -0.056 0.000 1.071 147 L CA 1.848 56.706 54.840 0.029 0.000 0.745 147 L CB -0.612 41.398 42.059 -0.081 0.000 0.892 147 L HN 0.156 nan 8.230 nan 0.000 0.431 148 E N 0.271 120.395 120.200 -0.126 0.000 2.085 148 E HA -0.322 4.028 4.350 -0.001 0.000 0.194 148 E C 2.142 178.744 176.600 0.004 0.000 0.994 148 E CA 1.591 57.872 56.400 -0.198 0.000 0.801 148 E CB 0.102 29.581 29.700 -0.367 0.000 0.743 148 E HN 0.133 nan 8.360 nan 0.000 0.453 149 K N 0.795 121.211 120.400 0.026 0.000 2.002 149 K HA -0.114 4.206 4.320 -0.001 0.000 0.209 149 K C 1.865 178.521 176.600 0.092 0.000 1.048 149 K CA 1.754 58.079 56.287 0.064 0.000 0.930 149 K CB -0.693 31.730 32.500 -0.129 0.000 0.714 149 K HN 0.198 nan 8.250 nan 0.000 0.438 150 A N 0.123 123.064 122.820 0.201 0.000 1.908 150 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 150 A C 2.340 179.978 177.584 0.090 0.000 1.181 150 A CA 1.975 54.137 52.037 0.209 0.000 0.627 150 A CB -0.864 18.151 19.000 0.024 0.000 0.818 150 A HN 0.148 nan 8.150 nan 0.000 0.445 151 V N -0.029 119.909 119.914 0.040 0.000 2.490 151 V HA -0.253 3.866 4.120 -0.001 0.000 0.250 151 V C 2.526 178.717 176.094 0.161 0.000 1.061 151 V CA 2.173 64.514 62.300 0.069 0.000 1.064 151 V CB -0.848 30.992 31.823 0.030 0.000 0.670 151 V HN 0.526 nan 8.190 nan 0.000 0.461 152 R N -0.483 120.122 120.500 0.174 0.000 2.193 152 R HA 0.116 4.455 4.340 -0.001 0.000 0.213 152 R C 1.748 178.111 176.300 0.105 0.000 1.055 152 R CA 0.699 56.887 56.100 0.147 0.000 0.995 152 R CB -0.104 30.273 30.300 0.129 0.000 0.893 152 R HN 0.422 nan 8.270 nan 0.000 0.459 153 L N 0.879 122.179 121.223 0.127 0.000 2.611 153 L HA 0.133 4.473 4.340 -0.001 0.000 0.229 153 L C -0.159 176.849 176.870 0.230 0.000 1.137 153 L CA -0.336 54.605 54.840 0.169 0.000 0.901 153 L CB 0.164 42.361 42.059 0.230 0.000 1.098 153 L HN 0.038 nan 8.230 nan 0.000 0.456 154 L N 0.843 122.171 121.223 0.176 0.000 2.305 154 L HA 0.232 4.571 4.340 -0.001 0.000 0.281 154 L C 0.410 177.350 176.870 0.116 0.000 1.085 154 L CA 0.135 55.075 54.840 0.167 0.000 0.813 154 L CB 0.953 43.114 42.059 0.171 0.000 1.157 154 L HN -0.014 nan 8.230 nan 0.000 0.436 155 K N 4.593 125.049 120.400 0.095 0.000 2.219 155 K HA 0.251 4.570 4.320 -0.001 0.000 0.258 155 K C -2.246 174.381 176.600 0.046 0.000 1.008 155 K CA -1.423 54.893 56.287 0.049 0.000 0.928 155 K CB 0.141 32.659 32.500 0.029 0.000 0.983 155 K HN 0.379 nan 8.250 nan 0.000 0.484 156 P HA -0.042 nan 4.420 nan 0.000 0.263 156 P C 0.326 177.631 177.300 0.009 0.000 1.195 156 P CA 0.925 64.036 63.100 0.017 0.000 0.762 156 P CB 0.538 32.243 31.700 0.008 0.000 0.799 157 G N 2.247 111.043 108.800 -0.006 0.000 2.176 157 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.253 157 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.253 157 G C 0.646 175.542 174.900 -0.006 0.000 0.979 157 G CA -0.235 44.855 45.100 -0.017 0.000 0.641 157 G HN 0.868 nan 8.290 nan 0.000 0.530 158 G N -0.774 108.037 108.800 0.019 0.000 2.606 158 G HA2 0.646 4.606 3.960 -0.001 0.000 0.252 158 G HA3 0.646 4.606 3.960 -0.001 0.000 0.252 158 G C 0.300 175.218 174.900 0.030 0.000 1.206 158 G CA 0.618 45.741 45.100 0.040 0.000 0.861 158 G HN 1.675 nan 8.290 nan 0.000 0.561 159 V N 0.250 120.182 119.914 0.030 0.000 2.960 159 V HA 0.876 4.996 4.120 -0.001 0.000 0.315 159 V C -0.631 175.478 176.094 0.025 0.000 1.087 159 V CA -1.155 61.160 62.300 0.026 0.000 0.982 159 V CB 1.813 33.634 31.823 -0.003 0.000 1.039 159 V HN 0.935 nan 8.190 nan 0.000 0.437 160 L N 3.895 125.140 121.223 0.036 0.000 2.431 160 L HA 0.884 5.224 4.340 -0.001 0.000 0.266 160 L C -1.793 175.039 176.870 -0.063 0.000 0.978 160 L CA -0.575 54.222 54.840 -0.072 0.000 0.822 160 L CB 2.222 44.195 42.059 -0.144 0.000 1.310 160 L HN 0.667 nan 8.230 nan 0.000 0.409 161 V N 4.910 124.783 119.914 -0.069 0.000 2.447 161 V HA 0.561 4.681 4.120 -0.001 0.000 0.292 161 V C -0.996 175.200 176.094 0.171 0.000 1.021 161 V CA -0.324 61.979 62.300 0.005 0.000 0.850 161 V CB 1.413 33.212 31.823 -0.039 0.000 1.005 161 V HN 0.523 nan 8.190 nan 0.000 0.426 162 F N 3.099 122.979 119.950 -0.115 0.000 2.576 162 F HA 0.722 5.249 4.527 -0.000 0.000 0.313 162 F C -0.111 175.645 175.800 -0.074 0.000 1.078 162 F CA -1.427 56.485 58.000 -0.146 0.000 0.921 162 F CB 2.507 41.439 39.000 -0.113 0.000 1.232 162 F HN 0.224 nan 8.300 nan 0.000 0.459 163 V N 3.841 123.783 119.914 0.048 0.000 2.370 163 V HA 0.757 4.877 4.120 -0.001 0.000 0.279 163 V C -0.364 175.771 176.094 0.069 0.000 1.029 163 V CA -0.799 61.560 62.300 0.097 0.000 0.870 163 V CB 0.957 32.901 31.823 0.201 0.000 0.984 163 V HN 0.602 nan 8.190 nan 0.000 0.451 164 V N 2.718 122.601 119.914 -0.051 0.000 3.181 164 V HA 0.780 4.900 4.120 -0.001 0.000 0.308 164 V C -3.002 172.765 176.094 -0.545 0.000 1.214 164 V CA -2.899 59.133 62.300 -0.447 0.000 1.053 164 V CB 2.185 33.676 31.823 -0.553 0.000 1.069 164 V HN 0.580 nan 8.190 nan 0.000 0.441 165 P HA 0.349 nan 4.420 nan 0.000 0.270 165 P C 0.339 177.444 177.300 -0.326 0.000 1.223 165 P CA 0.392 63.126 63.100 -0.610 0.000 0.785 165 P CB 0.813 32.084 31.700 -0.714 0.000 0.923 166 A N 0.906 123.588 122.820 -0.229 0.000 2.238 166 A HA -0.040 4.279 4.320 -0.001 0.000 0.208 166 A C 1.758 179.087 177.584 -0.426 0.000 1.177 166 A CA 1.251 53.083 52.037 -0.342 0.000 0.804 166 A CB -1.554 17.330 19.000 -0.193 0.000 0.823 166 A HN 0.617 nan 8.150 nan 0.000 0.482 167 T N -1.945 112.470 114.554 -0.231 0.000 2.803 167 T HA -0.228 4.121 4.350 -0.001 0.000 0.269 167 T C 1.766 176.299 174.700 -0.278 0.000 1.052 167 T CA 1.250 63.250 62.100 -0.167 0.000 1.136 167 T CB -0.815 68.030 68.868 -0.038 0.000 0.864 167 T HN 0.864 nan 8.240 nan 0.000 0.467 168 W N 1.996 122.971 121.300 -0.542 0.000 2.538 168 W HA 0.134 4.793 4.660 -0.001 0.000 0.254 168 W C 1.126 177.558 176.519 -0.144 0.000 1.249 168 W CA -0.142 56.870 57.345 -0.555 0.000 1.253 168 W CB -1.022 28.097 29.460 -0.569 0.000 1.130 168 W HN 0.277 nan 8.180 nan 0.000 0.618 169 L N 1.383 122.099 121.223 -0.845 0.000 2.156 169 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 169 L C 2.451 179.176 176.870 -0.243 0.000 1.095 169 L CA 1.565 55.943 54.840 -0.771 0.000 0.770 169 L CB -0.724 40.685 42.059 -1.083 0.000 0.914 169 L HN 0.001 nan 8.230 nan 0.000 0.439 170 V N -4.644 115.216 119.914 -0.090 0.000 3.473 170 V HA 0.225 4.345 4.120 -0.001 0.000 0.253 170 V C 1.027 177.194 176.094 0.121 0.000 1.340 170 V CA -0.361 61.978 62.300 0.066 0.000 1.103 170 V CB -0.035 31.856 31.823 0.113 0.000 0.881 170 V HN 0.035 nan 8.190 nan 0.000 0.451 171 L N 1.690 123.022 121.223 0.180 0.000 2.426 171 L HA 0.311 4.650 4.340 -0.001 0.000 0.271 171 L C 1.623 178.659 176.870 0.277 0.000 1.169 171 L CA -0.150 54.847 54.840 0.263 0.000 0.836 171 L CB 0.565 42.865 42.059 0.402 0.000 1.112 171 L HN 0.190 nan 8.230 nan 0.000 0.465 172 E N 0.885 121.194 120.200 0.181 0.000 2.358 172 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 172 E C 1.035 177.680 176.600 0.075 0.000 1.010 172 E CA 0.613 57.090 56.400 0.129 0.000 0.856 172 E CB 0.017 29.769 29.700 0.087 0.000 0.795 172 E HN 0.576 nan 8.360 nan 0.000 0.504 173 D N -0.402 120.004 120.400 0.009 0.000 2.310 173 D HA -0.087 4.553 4.640 -0.001 0.000 0.212 173 D C 0.563 176.667 176.300 -0.326 0.000 0.965 173 D CA 0.587 54.453 54.000 -0.225 0.000 0.879 173 D CB -0.102 40.441 40.800 -0.428 0.000 0.921 173 D HN 0.179 nan 8.370 nan 0.000 0.510 174 F N -0.619 119.422 119.950 0.151 0.000 2.639 174 F HA 0.392 4.919 4.527 -0.001 0.000 0.302 174 F C 1.930 177.847 175.800 0.195 0.000 1.097 174 F CA -0.391 57.733 58.000 0.206 0.000 1.294 174 F CB -0.037 39.111 39.000 0.247 0.000 1.027 174 F HN -0.140 nan 8.300 nan 0.000 0.550 175 A N 0.390 123.353 122.820 0.238 0.000 1.933 175 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 175 A C 2.146 179.810 177.584 0.133 0.000 1.175 175 A CA 1.410 53.550 52.037 0.173 0.000 0.628 175 A CB -0.669 18.394 19.000 0.106 0.000 0.814 175 A HN 0.431 nan 8.150 nan 0.000 0.444 176 L N -1.181 120.100 121.223 0.096 0.000 2.217 176 L HA -0.096 4.244 4.340 -0.001 0.000 0.211 176 L C 2.482 179.428 176.870 0.127 0.000 1.107 176 L CA 0.638 55.519 54.840 0.068 0.000 0.783 176 L CB -0.431 41.624 42.059 -0.006 0.000 0.919 176 L HN 0.430 nan 8.230 nan 0.000 0.442 177 L N 0.105 121.444 121.223 0.192 0.000 2.027 177 L HA -0.152 4.188 4.340 -0.001 0.000 0.206 177 L C 2.749 179.787 176.870 0.279 0.000 1.074 177 L CA 1.651 56.630 54.840 0.231 0.000 0.745 177 L CB -0.470 41.777 42.059 0.314 0.000 0.898 177 L HN 0.077 nan 8.230 nan 0.000 0.433 178 R N -0.353 120.344 120.500 0.329 0.000 2.091 178 R HA -0.186 4.154 4.340 -0.001 0.000 0.238 178 R C 2.127 178.415 176.300 -0.021 0.000 1.136 178 R CA 1.861 58.156 56.100 0.326 0.000 0.959 178 R CB -0.464 30.060 30.300 0.372 0.000 0.856 178 R HN 0.555 nan 8.270 nan 0.000 0.437 179 E N -0.052 120.140 120.200 -0.014 0.000 2.077 179 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 179 E C 1.742 178.348 176.600 0.010 0.000 0.989 179 E CA 1.079 57.425 56.400 -0.089 0.000 0.800 179 E CB -0.203 29.485 29.700 -0.021 0.000 0.746 179 E HN 0.218 nan 8.360 nan 0.000 0.452 180 F N 1.427 121.360 119.950 -0.029 0.000 2.069 180 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 180 F C 1.984 177.797 175.800 0.022 0.000 1.113 180 F CA 1.161 59.159 58.000 -0.002 0.000 1.214 180 F CB -0.167 38.834 39.000 0.002 0.000 0.978 180 F HN -0.040 nan 8.300 nan 0.000 0.474 181 L N 0.654 121.976 121.223 0.164 0.000 2.046 181 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 181 L C 2.751 179.783 176.870 0.269 0.000 1.077 181 L CA 1.936 56.871 54.840 0.159 0.000 0.747 181 L CB -1.882 40.361 42.059 0.306 0.000 0.896 181 L HN 0.282 nan 8.230 nan 0.000 0.432 182 A N 0.161 123.018 122.820 0.061 0.000 1.940 182 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 182 A C 2.317 179.919 177.584 0.029 0.000 1.176 182 A CA 1.950 53.956 52.037 -0.053 0.000 0.631 182 A CB -0.506 18.095 19.000 -0.665 0.000 0.814 182 A HN 0.597 nan 8.150 nan 0.000 0.446 183 R N -1.466 119.011 120.500 -0.039 0.000 2.290 183 R HA 0.176 4.516 4.340 -0.001 0.000 0.197 183 R C 0.836 177.109 176.300 -0.046 0.000 0.913 183 R CA 0.746 56.822 56.100 -0.040 0.000 1.040 183 R CB 0.014 30.276 30.300 -0.064 0.000 0.992 183 R HN 0.320 nan 8.270 nan 0.000 0.500 184 E N 1.005 121.170 120.200 -0.059 0.000 2.400 184 E HA 0.194 4.544 4.350 -0.001 0.000 0.195 184 E C 0.664 177.354 176.600 0.151 0.000 1.012 184 E CA 0.824 57.212 56.400 -0.020 0.000 0.875 184 E CB 1.200 30.755 29.700 -0.241 0.000 0.859 184 E HN 0.514 nan 8.360 nan 0.000 0.498 185 G N 1.167 110.062 108.800 0.158 0.000 2.341 185 G HA2 0.197 4.156 3.960 -0.001 0.000 0.299 185 G HA3 0.197 4.156 3.960 -0.001 0.000 0.299 185 G C -1.462 173.372 174.900 -0.110 0.000 1.274 185 G CA -0.830 44.155 45.100 -0.192 0.000 0.853 185 G HN -0.032 nan 8.290 nan 0.000 0.493 186 K N 0.189 120.426 120.400 -0.271 0.000 2.156 186 K HA 0.692 5.012 4.320 -0.001 0.000 0.271 186 K C -1.076 175.518 176.600 -0.011 0.000 0.995 186 K CA -0.317 55.942 56.287 -0.048 0.000 0.890 186 K CB 1.532 34.009 32.500 -0.038 0.000 1.073 186 K HN 0.376 nan 8.250 nan 0.000 0.454 187 T N 1.318 115.975 114.554 0.172 0.000 2.829 187 T HA 0.321 4.670 4.350 -0.001 0.000 0.280 187 T C -0.810 173.963 174.700 0.122 0.000 0.999 187 T CA -0.595 61.644 62.100 0.231 0.000 0.983 187 T CB 1.281 70.358 68.868 0.347 0.000 0.968 187 T HN 0.539 nan 8.240 nan 0.000 0.446 188 S N 2.004 117.792 115.700 0.145 0.000 2.552 188 S HA 0.589 5.058 4.470 -0.001 0.000 0.314 188 S C -0.506 174.133 174.600 0.065 0.000 1.099 188 S CA -0.652 57.603 58.200 0.092 0.000 1.070 188 S CB 1.144 64.390 63.200 0.077 0.000 0.998 188 S HN 0.499 nan 8.310 nan 0.000 0.474 189 V N 4.631 124.545 119.914 -0.001 0.000 2.409 189 V HA 0.420 4.539 4.120 -0.001 0.000 0.291 189 V C -1.441 174.657 176.094 0.008 0.000 1.020 189 V CA -0.633 61.700 62.300 0.054 0.000 0.848 189 V CB 0.757 32.559 31.823 -0.035 0.000 0.990 189 V HN 0.825 nan 8.190 nan 0.000 0.430 190 Y N 3.999 124.424 120.300 0.208 0.000 2.342 190 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 190 Y C -0.204 175.820 175.900 0.206 0.000 0.965 190 Y CA -0.816 57.442 58.100 0.263 0.000 1.159 190 Y CB 1.101 39.711 38.460 0.250 0.000 1.157 190 Y HN 0.671 nan 8.280 nan 0.000 0.486 191 Y N 4.467 124.932 120.300 0.276 0.000 2.436 191 Y HA 0.231 4.781 4.550 -0.000 0.000 0.336 191 Y C 0.048 175.971 175.900 0.038 0.000 1.049 191 Y CA -0.068 58.139 58.100 0.179 0.000 1.294 191 Y CB 0.507 39.156 38.460 0.315 0.000 1.179 191 Y HN 0.731 nan 8.280 nan 0.000 0.520 192 L N 5.137 125.992 121.223 -0.613 0.000 2.388 192 L HA 0.365 4.705 4.340 -0.001 0.000 0.209 192 L C 1.365 177.774 176.870 -0.769 0.000 1.061 192 L CA 0.542 54.986 54.840 -0.660 0.000 0.834 192 L CB -0.459 41.217 42.059 -0.638 0.000 1.029 192 L HN 0.991 nan 8.230 nan 0.000 0.473 193 G N 0.869 109.055 108.800 -1.023 0.000 2.482 193 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.214 193 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.214 193 G C -0.445 174.256 174.900 -0.332 0.000 1.271 193 G CA -0.561 44.122 45.100 -0.694 0.000 0.944 193 G HN 0.254 nan 8.290 nan 0.000 0.568 194 E N 1.195 121.298 120.200 -0.163 0.000 1.892 194 E HA 0.303 4.653 4.350 -0.001 0.000 0.271 194 E C 1.557 178.079 176.600 -0.130 0.000 1.146 194 E CA 0.302 56.645 56.400 -0.095 0.000 1.096 194 E CB 0.622 30.317 29.700 -0.010 0.000 1.155 194 E HN 0.917 nan 8.360 nan 0.000 0.458 195 V N -1.231 118.505 119.914 -0.297 0.000 3.506 195 V HA 0.153 4.273 4.120 -0.001 0.000 0.263 195 V C 0.494 176.431 176.094 -0.262 0.000 1.203 195 V CA 0.194 62.320 62.300 -0.290 0.000 1.133 195 V CB -0.554 31.048 31.823 -0.368 0.000 0.802 195 V HN 0.138 nan 8.190 nan 0.000 0.459 196 F N 1.977 121.935 119.950 0.014 0.000 2.382 196 F HA 0.491 5.018 4.527 -0.001 0.000 0.331 196 F C -0.609 175.198 175.800 0.011 0.000 1.121 196 F CA -2.479 55.530 58.000 0.016 0.000 1.183 196 F CB 0.209 39.221 39.000 0.020 0.000 1.207 196 F HN -0.107 nan 8.300 nan 0.000 0.555 197 P HA -0.182 nan 4.420 nan 0.000 0.221 197 P C -0.356 177.003 177.300 0.099 0.000 1.145 197 P CA 1.169 64.335 63.100 0.110 0.000 0.795 197 P CB 0.138 31.885 31.700 0.079 0.000 0.775 198 Q N 0.492 120.369 119.800 0.129 0.000 2.337 198 Q HA 0.126 4.466 4.340 -0.001 0.000 0.255 198 Q C 1.080 177.152 176.000 0.119 0.000 0.997 198 Q CA 0.062 55.921 55.803 0.093 0.000 0.925 198 Q CB 0.535 29.310 28.738 0.061 0.000 1.212 198 Q HN -0.096 nan 8.270 nan 0.000 0.436 199 K N 2.055 122.502 120.400 0.079 0.000 2.525 199 K HA -0.093 4.227 4.320 -0.001 0.000 0.192 199 K C 0.678 177.315 176.600 0.061 0.000 1.029 199 K CA 0.511 56.838 56.287 0.068 0.000 1.029 199 K CB 0.169 32.694 32.500 0.043 0.000 0.814 199 K HN 0.553 nan 8.250 nan 0.000 0.503 200 K N 0.202 120.640 120.400 0.064 0.000 2.417 200 K HA 0.067 4.387 4.320 -0.001 0.000 0.196 200 K C 0.117 176.753 176.600 0.059 0.000 1.023 200 K CA -0.027 56.289 56.287 0.050 0.000 1.122 200 K CB 0.173 32.695 32.500 0.038 0.000 0.850 200 K HN -0.150 nan 8.250 nan 0.000 0.521 201 V N -0.531 119.441 119.914 0.097 0.000 2.407 201 V HA 0.334 4.454 4.120 -0.001 0.000 0.291 201 V C -0.465 175.692 176.094 0.105 0.000 1.018 201 V CA -1.020 61.348 62.300 0.114 0.000 0.842 201 V CB 1.357 33.294 31.823 0.190 0.000 0.996 201 V HN 0.179 nan 8.190 nan 0.000 0.426 202 S N 3.736 119.467 115.700 0.051 0.000 2.452 202 S HA 0.773 5.243 4.470 -0.001 0.000 0.284 202 S C 0.290 174.861 174.600 -0.050 0.000 1.171 202 S CA 0.204 58.410 58.200 0.010 0.000 1.064 202 S CB 0.593 63.870 63.200 0.127 0.000 0.967 202 S HN 1.479 nan 8.310 nan 0.000 0.484 203 A N 4.121 126.843 122.820 -0.162 0.000 2.269 203 A HA 0.861 5.180 4.320 -0.001 0.000 0.319 203 A C -0.638 176.817 177.584 -0.215 0.000 1.110 203 A CA -0.642 51.296 52.037 -0.165 0.000 0.847 203 A CB 1.274 20.131 19.000 -0.238 0.000 1.161 203 A HN 0.820 nan 8.150 nan 0.000 0.497 204 V N 0.936 120.786 119.914 -0.108 0.000 2.932 204 V HA 0.454 4.574 4.120 -0.001 0.000 0.307 204 V C -1.069 175.068 176.094 0.072 0.000 1.147 204 V CA -0.419 61.870 62.300 -0.018 0.000 0.951 204 V CB 2.330 34.154 31.823 0.001 0.000 1.031 204 V HN 0.747 nan 8.190 nan 0.000 0.426 205 V N 6.448 126.454 119.914 0.154 0.000 2.398 205 V HA 0.533 4.653 4.120 -0.001 0.000 0.286 205 V C -0.105 176.166 176.094 0.295 0.000 1.026 205 V CA -0.466 61.949 62.300 0.192 0.000 0.868 205 V CB 1.602 33.529 31.823 0.173 0.000 0.982 205 V HN 0.694 nan 8.190 nan 0.000 0.443 206 I N 5.822 126.536 120.570 0.240 0.000 2.378 206 I HA 0.615 4.785 4.170 -0.001 0.000 0.291 206 I C -0.225 176.010 176.117 0.197 0.000 0.992 206 I CA -0.629 60.824 61.300 0.254 0.000 1.154 206 I CB 0.910 39.035 38.000 0.207 0.000 1.315 206 I HN 0.663 nan 8.210 nan 0.000 0.448 207 R N 7.428 128.070 120.500 0.236 0.000 2.343 207 R HA 0.421 4.761 4.340 -0.001 0.000 0.320 207 R C -2.123 174.304 176.300 0.211 0.000 0.956 207 R CA -0.544 55.658 56.100 0.170 0.000 0.836 207 R CB 1.356 31.753 30.300 0.162 0.000 1.151 207 R HN 0.689 nan 8.270 nan 0.000 0.450 208 F N 3.159 123.114 119.950 0.008 0.000 2.540 208 F HA 0.334 4.861 4.527 -0.000 0.000 0.317 208 F C -1.077 174.726 175.800 0.004 0.000 1.104 208 F CA -0.551 57.458 58.000 0.015 0.000 0.913 208 F CB 2.028 41.022 39.000 -0.009 0.000 1.170 208 F HN 0.495 nan 8.300 nan 0.000 0.450 209 Q N 5.400 124.798 119.800 -0.669 0.000 2.330 209 Q HA 0.281 4.620 4.340 -0.001 0.000 0.269 209 Q C -0.969 174.575 176.000 -0.761 0.000 1.022 209 Q CA -0.887 54.626 55.803 -0.482 0.000 0.796 209 Q CB 1.729 30.330 28.738 -0.229 0.000 1.271 209 Q HN 0.742 nan 8.270 nan 0.000 0.450 210 K N 2.224 122.378 120.400 -0.410 0.000 2.408 210 K HA 0.144 4.464 4.320 -0.001 0.000 0.231 210 K C -1.019 175.486 176.600 -0.159 0.000 1.261 210 K CA 0.245 56.391 56.287 -0.235 0.000 1.193 210 K CB -0.208 32.306 32.500 0.025 0.000 1.431 210 K HN 0.455 nan 8.250 nan 0.000 0.243 211 S N 1.115 116.688 115.700 -0.211 0.000 2.605 211 S HA 0.133 4.603 4.470 -0.001 0.000 0.142 211 S C -0.213 174.330 174.600 -0.095 0.000 1.452 211 S CA -0.762 57.371 58.200 -0.111 0.000 1.240 211 S CB 1.314 64.462 63.200 -0.087 0.000 1.538 211 S HN 0.671 nan 8.310 nan 0.000 0.394 212 G N 2.338 111.096 108.800 -0.070 0.000 2.889 212 G HA2 0.002 3.961 3.960 -0.001 0.000 0.299 212 G HA3 0.002 3.961 3.960 -0.001 0.000 0.299 212 G C 0.227 175.131 174.900 0.005 0.000 0.318 212 G CA 0.528 45.618 45.100 -0.017 0.000 1.186 212 G HN 0.335 nan 8.290 nan 0.000 0.189 213 K N 1.975 122.396 120.400 0.034 0.000 3.520 213 K HA 0.352 4.671 4.320 -0.001 0.000 0.163 213 K C 0.736 177.384 176.600 0.080 0.000 1.113 213 K CA 0.525 56.838 56.287 0.044 0.000 0.736 213 K CB -0.085 32.422 32.500 0.011 0.000 0.884 213 K HN 2.036 nan 8.250 nan 0.000 0.492 214 G N 0.916 109.810 108.800 0.156 0.000 2.645 214 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.239 214 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.239 214 G C -1.289 173.749 174.900 0.230 0.000 1.331 214 G CA -0.192 45.040 45.100 0.221 0.000 0.890 214 G HN 0.267 nan 8.290 nan 0.000 0.572 215 L N -0.220 121.085 121.223 0.135 0.000 2.422 215 L HA 0.785 5.125 4.340 -0.001 0.000 0.264 215 L C -0.511 176.351 176.870 -0.013 0.000 0.984 215 L CA -0.544 54.264 54.840 -0.053 0.000 0.819 215 L CB 1.945 43.682 42.059 -0.536 0.000 1.330 215 L HN 0.969 nan 8.230 nan 0.000 0.410 216 S N 4.761 120.454 115.700 -0.011 0.000 2.561 216 S HA 0.588 5.058 4.470 -0.001 0.000 0.303 216 S C -0.835 173.751 174.600 -0.023 0.000 1.110 216 S CA -0.450 57.738 58.200 -0.020 0.000 1.034 216 S CB 1.938 65.213 63.200 0.125 0.000 1.010 216 S HN 0.493 nan 8.310 nan 0.000 0.482 217 L N 3.781 124.938 121.223 -0.109 0.000 2.296 217 L HA 0.719 5.059 4.340 -0.001 0.000 0.286 217 L C -1.866 174.979 176.870 -0.041 0.000 1.023 217 L CA -0.212 54.579 54.840 -0.082 0.000 0.812 217 L CB 0.301 42.262 42.059 -0.163 0.000 1.223 217 L HN 0.701 nan 8.230 nan 0.000 0.421 218 W N 3.831 125.108 121.300 -0.038 0.000 2.666 218 W HA 0.469 5.128 4.660 -0.000 0.000 0.334 218 W C -0.026 176.684 176.519 0.319 0.000 1.051 218 W CA -0.438 56.974 57.345 0.111 0.000 1.224 218 W CB 1.297 30.676 29.460 -0.135 0.000 1.405 218 W HN 0.455 nan 8.180 nan 0.000 0.513 219 D N 0.142 120.914 120.400 0.621 0.000 2.478 219 D HA 0.619 5.259 4.640 -0.001 0.000 0.263 219 D C -0.859 175.714 176.300 0.454 0.000 1.153 219 D CA -0.123 54.162 54.000 0.476 0.000 1.038 219 D CB 1.820 42.853 40.800 0.389 0.000 1.120 219 D HN 0.195 nan 8.370 nan 0.000 0.564 220 T N 0.756 115.506 114.554 0.326 0.000 2.956 220 T HA 0.250 4.600 4.350 -0.001 0.000 0.312 220 T C -1.423 173.397 174.700 0.200 0.000 1.151 220 T CA -0.596 61.647 62.100 0.238 0.000 1.024 220 T CB 1.601 70.516 68.868 0.080 0.000 1.140 220 T HN 0.151 nan 8.240 nan 0.000 0.473 221 Q N 2.336 122.243 119.800 0.177 0.000 2.316 221 Q HA 0.346 4.685 4.340 -0.001 0.000 0.264 221 Q C -0.849 175.197 176.000 0.075 0.000 0.987 221 Q CA -0.441 55.435 55.803 0.122 0.000 0.852 221 Q CB 1.937 30.733 28.738 0.097 0.000 1.287 221 Q HN 0.758 nan 8.270 nan 0.000 0.448 222 E N 1.931 122.134 120.200 0.005 0.000 2.156 222 E HA 0.487 4.836 4.350 -0.001 0.000 0.279 222 E C -0.944 175.539 176.600 -0.195 0.000 0.965 222 E CA -0.065 56.209 56.400 -0.209 0.000 0.789 222 E CB 0.833 30.446 29.700 -0.145 0.000 1.098 222 E HN 0.754 nan 8.360 nan 0.000 0.397 223 S N 3.172 118.709 115.700 -0.272 0.000 2.973 223 S HA 0.277 4.747 4.470 -0.001 0.000 0.317 223 S C 0.735 175.225 174.600 -0.183 0.000 1.196 223 S CA -0.825 57.272 58.200 -0.171 0.000 0.894 223 S CB 0.876 64.013 63.200 -0.104 0.000 1.292 223 S HN 0.531 nan 8.310 nan 0.000 0.614 224 E N 1.548 121.676 120.200 -0.119 0.000 2.072 224 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 224 E C 2.300 178.836 176.600 -0.106 0.000 0.985 224 E CA 1.755 58.094 56.400 -0.101 0.000 0.801 224 E CB -0.483 29.178 29.700 -0.065 0.000 0.750 224 E HN 0.707 nan 8.360 nan 0.000 0.452 225 S N -0.336 115.307 115.700 -0.094 0.000 2.402 225 S HA 0.076 4.545 4.470 -0.001 0.000 0.229 225 S C 1.301 175.841 174.600 -0.100 0.000 1.021 225 S CA 0.922 59.079 58.200 -0.072 0.000 0.974 225 S CB 0.262 63.438 63.200 -0.039 0.000 0.800 225 S HN 0.395 nan 8.310 nan 0.000 0.484 226 G N 0.506 109.186 108.800 -0.199 0.000 2.350 226 G HA2 0.257 4.217 3.960 -0.001 0.000 0.085 226 G HA3 0.257 4.217 3.960 -0.001 0.000 0.085 226 G C -1.405 173.164 174.900 -0.552 0.000 1.159 226 G CA -0.730 44.169 45.100 -0.336 0.000 1.146 226 G HN 0.267 nan 8.290 nan 0.000 0.449 227 F N 1.227 121.091 119.950 -0.143 0.000 2.458 227 F HA 0.730 5.256 4.527 -0.001 0.000 0.330 227 F C 0.411 176.110 175.800 -0.167 0.000 1.082 227 F CA -0.448 57.377 58.000 -0.292 0.000 0.995 227 F CB 2.689 41.224 39.000 -0.775 0.000 1.170 227 F HN 0.266 nan 8.300 nan 0.000 0.478 228 T N 4.362 118.970 114.554 0.089 0.000 2.847 228 T HA 0.350 4.700 4.350 -0.001 0.000 0.291 228 T C -2.751 172.074 174.700 0.210 0.000 0.998 228 T CA -1.376 60.814 62.100 0.150 0.000 0.967 228 T CB 1.678 70.615 68.868 0.116 0.000 0.954 228 T HN 0.222 nan 8.240 nan 0.000 0.441 229 P HA 0.534 nan 4.420 nan 0.000 0.277 229 P C -0.974 176.657 177.300 0.551 0.000 1.240 229 P CA -0.553 62.844 63.100 0.494 0.000 0.798 229 P CB 1.144 33.189 31.700 0.574 0.000 0.979 230 I N 1.892 122.845 120.570 0.638 0.000 2.534 230 I HA 0.169 4.339 4.170 -0.001 0.000 0.286 230 I C -0.043 176.301 176.117 0.379 0.000 1.094 230 I CA -1.162 60.408 61.300 0.451 0.000 1.055 230 I CB 1.927 40.109 38.000 0.304 0.000 1.225 230 I HN 0.157 nan 8.210 nan 0.000 0.435 231 L N 6.665 127.872 121.223 -0.027 0.000 2.513 231 L HA 0.016 4.356 4.340 -0.001 0.000 0.272 231 L C 0.374 177.122 176.870 -0.203 0.000 1.187 231 L CA 0.913 55.355 54.840 -0.663 0.000 0.895 231 L CB 0.366 41.824 42.059 -1.002 0.000 1.147 231 L HN 0.746 nan 8.230 nan 0.000 0.483 232 W N 5.686 126.807 121.300 -0.298 0.000 2.780 232 W HA 0.472 5.131 4.660 -0.000 0.000 0.272 232 W C -0.155 176.262 176.519 -0.171 0.000 1.116 232 W CA 0.782 58.065 57.345 -0.104 0.000 1.600 232 W CB 0.437 29.972 29.460 0.125 0.000 1.086 232 W HN 0.655 nan 8.180 nan 0.000 0.584 233 A N 0.696 123.546 122.820 0.049 0.000 2.610 233 A HA 0.524 4.843 4.320 -0.001 0.000 0.291 233 A C -1.505 175.902 177.584 -0.294 0.000 1.086 233 A CA -0.595 51.356 52.037 -0.143 0.000 0.677 233 A CB 1.491 20.493 19.000 0.003 0.000 1.278 233 A HN 0.104 nan 8.150 nan 0.000 0.414 234 E N 0.033 119.954 120.200 -0.465 0.000 2.248 234 E HA 0.485 4.834 4.350 -0.001 0.000 0.267 234 E C -1.993 174.247 176.600 -0.601 0.000 0.877 234 E CA -0.258 55.910 56.400 -0.388 0.000 0.759 234 E CB 2.113 31.657 29.700 -0.261 0.000 1.182 234 E HN 0.537 nan 8.360 nan 0.000 0.418 235 Y N 2.161 122.405 120.300 -0.093 0.000 2.787 235 Y HA 0.200 4.749 4.550 -0.001 0.000 0.352 235 Y C -1.604 174.280 175.900 -0.027 0.000 1.027 235 Y CA -1.843 56.235 58.100 -0.035 0.000 1.219 235 Y CB 1.046 39.500 38.460 -0.011 0.000 1.110 235 Y HN 0.409 nan 8.280 nan 0.000 0.614 236 P HA -0.147 nan 4.420 nan 0.000 0.225 236 P C 0.127 177.323 177.300 -0.172 0.000 1.148 236 P CA 1.586 64.571 63.100 -0.193 0.000 0.779 236 P CB 0.241 31.709 31.700 -0.387 0.000 0.780 237 H N -3.308 115.887 119.070 0.208 0.000 2.487 237 H HA 0.156 4.712 4.556 -0.000 0.000 0.290 237 H C 0.110 175.590 175.328 0.254 0.000 1.081 237 H CA -0.951 55.210 56.048 0.189 0.000 1.116 237 H CB -0.563 29.283 29.762 0.140 0.000 1.560 237 H HN 0.096 nan 8.280 nan 0.000 0.548 238 W N 2.657 124.062 121.300 0.175 0.000 2.347 238 W HA -0.014 4.646 4.660 -0.001 0.000 0.333 238 W C 0.176 176.764 176.519 0.116 0.000 1.383 238 W CA 0.208 57.635 57.345 0.135 0.000 1.283 238 W CB 0.504 30.035 29.460 0.120 0.000 1.253 238 W HN 0.265 nan 8.180 nan 0.000 0.563 239 E N 3.219 123.217 120.200 -0.337 0.000 2.660 239 E HA 0.257 4.606 4.350 -0.001 0.000 0.216 239 E C 1.088 177.282 176.600 -0.677 0.000 0.986 239 E CA 0.404 56.567 56.400 -0.395 0.000 1.037 239 E CB 0.598 30.211 29.700 -0.145 0.000 1.041 239 E HN 0.783 nan 8.360 nan 0.000 0.480 240 G N 1.678 109.645 108.800 -1.389 0.000 2.159 240 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.170 240 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.170 240 G C -0.101 174.641 174.900 -0.263 0.000 1.007 240 G CA -0.563 43.978 45.100 -0.931 0.000 0.672 240 G HN 0.158 nan 8.290 nan 0.000 0.507 241 E N 0.014 120.141 120.200 -0.121 0.000 2.409 241 E HA 0.533 4.882 4.350 -0.001 0.000 0.257 241 E C 1.273 178.045 176.600 0.287 0.000 1.150 241 E CA -0.371 56.111 56.400 0.136 0.000 0.942 241 E CB 0.864 30.649 29.700 0.143 0.000 0.979 241 E HN 0.397 nan 8.360 nan 0.000 0.447 242 I N 1.670 122.337 120.570 0.161 0.000 2.815 242 I HA -0.081 4.089 4.170 -0.001 0.000 0.291 242 I C 0.140 176.271 176.117 0.022 0.000 1.209 242 I CA 0.558 61.927 61.300 0.116 0.000 1.431 242 I CB 0.165 38.238 38.000 0.122 0.000 1.351 242 I HN 0.259 nan 8.210 nan 0.000 0.585 243 I N 6.820 127.328 120.570 -0.104 0.000 2.336 243 I HA 0.395 4.565 4.170 -0.001 0.000 0.292 243 I C -0.007 175.962 176.117 -0.246 0.000 0.991 243 I CA -0.393 60.714 61.300 -0.321 0.000 1.227 243 I CB 0.929 38.616 38.000 -0.522 0.000 1.366 243 I HN 0.564 nan 8.210 nan 0.000 0.466 244 R N 4.397 124.719 120.500 -0.297 0.000 2.808 244 R HA 0.493 4.833 4.340 -0.001 0.000 0.272 244 R C -1.381 174.698 176.300 -0.368 0.000 0.995 244 R CA -0.756 55.194 56.100 -0.251 0.000 0.917 244 R CB 1.891 32.033 30.300 -0.263 0.000 1.217 244 R HN 0.296 nan 8.270 nan 0.000 0.471 245 F N 2.205 121.969 119.950 -0.310 0.000 2.451 245 F HA 0.201 4.728 4.527 -0.001 0.000 0.356 245 F C 0.414 176.141 175.800 -0.121 0.000 1.178 245 F CA -0.156 57.574 58.000 -0.450 0.000 1.210 245 F CB 0.341 38.849 39.000 -0.820 0.000 1.504 245 F HN 0.217 nan 8.300 nan 0.000 0.598 246 E N 1.160 121.519 120.200 0.265 0.000 2.349 246 E HA 0.473 4.822 4.350 -0.001 0.000 0.265 246 E C 0.186 177.029 176.600 0.405 0.000 1.064 246 E CA -0.387 56.170 56.400 0.261 0.000 0.886 246 E CB 1.333 31.158 29.700 0.209 0.000 1.036 246 E HN 0.468 nan 8.360 nan 0.000 0.413 247 T N -2.145 112.541 114.554 0.219 0.000 2.841 247 T HA 0.165 4.515 4.350 -0.001 0.000 0.296 247 T C 0.852 175.599 174.700 0.078 0.000 1.166 247 T CA -0.844 61.338 62.100 0.137 0.000 1.007 247 T CB 1.693 70.642 68.868 0.134 0.000 1.253 247 T HN 0.530 nan 8.240 nan 0.000 0.511 248 E N 0.789 121.006 120.200 0.029 0.000 2.049 248 E HA -0.263 4.086 4.350 -0.001 0.000 0.198 248 E C 1.859 178.492 176.600 0.055 0.000 1.007 248 E CA 2.412 58.828 56.400 0.027 0.000 0.809 248 E CB -0.214 29.485 29.700 -0.002 0.000 0.749 248 E HN 0.842 nan 8.360 nan 0.000 0.450 249 E N -0.361 119.878 120.200 0.064 0.000 2.110 249 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 249 E C 2.067 178.752 176.600 0.142 0.000 0.988 249 E CA 1.753 58.206 56.400 0.089 0.000 0.804 249 E CB -0.614 29.137 29.700 0.085 0.000 0.745 249 E HN 0.414 nan 8.360 nan 0.000 0.458 250 T N -0.871 113.780 114.554 0.161 0.000 2.867 250 T HA -0.052 4.298 4.350 -0.001 0.000 0.268 250 T C 2.022 176.857 174.700 0.225 0.000 1.057 250 T CA 0.825 63.074 62.100 0.248 0.000 1.136 250 T CB -0.193 68.726 68.868 0.085 0.000 0.874 250 T HN 0.103 nan 8.240 nan 0.000 0.466 251 R N 1.026 121.610 120.500 0.141 0.000 2.075 251 R HA 0.091 4.431 4.340 -0.001 0.000 0.232 251 R C 2.781 179.140 176.300 0.099 0.000 1.126 251 R CA 1.192 57.362 56.100 0.116 0.000 0.963 251 R CB -0.170 30.182 30.300 0.087 0.000 0.858 251 R HN 0.425 nan 8.270 nan 0.000 0.435 252 K N 0.690 121.141 120.400 0.085 0.000 2.063 252 K HA -0.126 4.193 4.320 -0.001 0.000 0.208 252 K C 2.141 178.782 176.600 0.067 0.000 1.048 252 K CA 1.072 57.397 56.287 0.063 0.000 0.928 252 K CB -0.158 32.374 32.500 0.054 0.000 0.713 252 K HN 0.162 nan 8.250 nan 0.000 0.442 253 L N 1.145 122.422 121.223 0.090 0.000 2.046 253 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 253 L C 2.037 178.945 176.870 0.063 0.000 1.077 253 L CA 1.597 56.477 54.840 0.066 0.000 0.747 253 L CB -0.189 41.871 42.059 0.001 0.000 0.896 253 L HN 0.298 nan 8.230 nan 0.000 0.432 254 E N -0.134 120.130 120.200 0.106 0.000 2.208 254 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 254 E C 1.869 178.518 176.600 0.081 0.000 0.988 254 E CA 1.325 57.793 56.400 0.113 0.000 0.828 254 E CB -0.013 29.782 29.700 0.158 0.000 0.763 254 E HN 0.635 nan 8.360 nan 0.000 0.478 255 I N -1.426 119.183 120.570 0.065 0.000 3.226 255 I HA -0.022 4.148 4.170 -0.001 0.000 0.277 255 I C 1.573 177.704 176.117 0.023 0.000 1.243 255 I CA 0.431 61.758 61.300 0.045 0.000 1.459 255 I CB 0.179 38.204 38.000 0.041 0.000 1.093 255 I HN -0.152 nan 8.210 nan 0.000 0.453 256 S N -0.037 115.673 115.700 0.016 0.000 2.582 256 S HA 0.745 5.215 4.470 -0.001 0.000 0.249 256 S C 0.464 175.041 174.600 -0.037 0.000 1.072 256 S CA 0.003 58.192 58.200 -0.017 0.000 1.115 256 S CB -0.909 62.274 63.200 -0.028 0.000 0.790 256 S HN 0.743 nan 8.310 nan 0.000 0.459 257 G N 0.748 109.543 108.800 -0.008 0.000 2.451 257 G HA2 0.485 4.445 3.960 -0.001 0.000 0.292 257 G HA3 0.485 4.445 3.960 -0.001 0.000 0.292 257 G C -1.419 173.500 174.900 0.032 0.000 1.427 257 G CA -1.072 44.023 45.100 -0.007 0.000 0.792 257 G HN 0.313 nan 8.290 nan 0.000 0.498 258 M N 1.953 121.582 119.600 0.048 0.000 2.363 258 M HA 0.379 4.859 4.480 -0.001 0.000 0.343 258 M C -2.293 174.062 176.300 0.091 0.000 1.165 258 M CA -1.825 53.511 55.300 0.060 0.000 1.046 258 M CB 2.266 34.897 32.600 0.051 0.000 1.648 258 M HN 0.277 nan 8.290 nan 0.000 0.452 259 P HA 0.011 nan 4.420 nan 0.000 0.271 259 P C 0.446 177.809 177.300 0.105 0.000 1.216 259 P CA -0.336 62.822 63.100 0.097 0.000 0.771 259 P CB 1.006 32.751 31.700 0.075 0.000 0.864 260 L N 4.687 125.991 121.223 0.135 0.000 2.051 260 L HA -0.152 4.188 4.340 -0.001 0.000 0.214 260 L C 2.466 179.434 176.870 0.163 0.000 1.076 260 L CA 2.642 57.595 54.840 0.189 0.000 0.758 260 L CB -1.727 40.395 42.059 0.105 0.000 0.890 260 L HN 0.605 nan 8.230 nan 0.000 0.433 261 G N -2.005 106.835 108.800 0.067 0.000 2.586 261 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.215 261 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.215 261 G C 1.100 175.994 174.900 -0.009 0.000 1.128 261 G CA 0.840 45.956 45.100 0.025 0.000 0.774 261 G HN 0.415 nan 8.290 nan 0.000 0.543 262 D N -0.237 120.155 120.400 -0.013 0.000 2.301 262 D HA 0.098 4.737 4.640 -0.001 0.000 0.206 262 D C 2.456 178.646 176.300 -0.183 0.000 0.979 262 D CA 0.210 54.159 54.000 -0.086 0.000 0.874 262 D CB 0.205 40.972 40.800 -0.055 0.000 0.968 262 D HN 0.328 nan 8.370 nan 0.000 0.510 263 L N -1.303 119.829 121.223 -0.152 0.000 2.463 263 L HA 0.221 4.561 4.340 -0.001 0.000 0.219 263 L C -0.013 176.489 176.870 -0.614 0.000 1.088 263 L CA 0.306 54.918 54.840 -0.380 0.000 0.849 263 L CB 0.212 42.039 42.059 -0.387 0.000 1.012 263 L HN -0.148 nan 8.230 nan 0.000 0.468 264 F N -2.106 117.738 119.950 -0.176 0.000 2.603 264 F HA 0.480 5.006 4.527 -0.000 0.000 0.317 264 F C 0.188 175.827 175.800 -0.268 0.000 1.066 264 F CA -0.960 56.925 58.000 -0.191 0.000 0.941 264 F CB 1.177 40.120 39.000 -0.096 0.000 1.291 264 F HN -0.193 nan 8.300 nan 0.000 0.472 265 H N 2.249 121.401 119.070 0.136 0.000 2.467 265 H HA 0.495 5.051 4.556 -0.001 0.000 0.326 265 H C -0.594 174.702 175.328 -0.054 0.000 1.094 265 H CA -0.312 55.745 56.048 0.014 0.000 1.253 265 H CB 1.763 31.512 29.762 -0.021 0.000 1.439 265 H HN 0.383 nan 8.280 nan 0.000 0.479 266 I N 4.845 125.425 120.570 0.016 0.000 2.328 266 I HA 0.222 4.392 4.170 -0.001 0.000 0.287 266 I C 0.312 176.330 176.117 -0.165 0.000 1.012 266 I CA -0.576 60.635 61.300 -0.148 0.000 1.195 266 I CB 0.429 38.300 38.000 -0.215 0.000 1.350 266 I HN 0.216 nan 8.210 nan 0.000 0.464 267 R N 5.016 125.333 120.500 -0.304 0.000 2.758 267 R HA 0.626 4.966 4.340 -0.001 0.000 0.265 267 R C -1.019 175.128 176.300 -0.256 0.000 1.016 267 R CA -0.854 55.078 56.100 -0.281 0.000 1.040 267 R CB 1.592 31.440 30.300 -0.754 0.000 1.152 267 R HN 0.264 nan 8.270 nan 0.000 0.503 268 F N -0.247 119.772 119.950 0.115 0.000 2.507 268 F HA 0.555 5.081 4.527 -0.001 0.000 0.327 268 F C 0.832 176.845 175.800 0.354 0.000 1.068 268 F CA -0.700 57.439 58.000 0.232 0.000 0.965 268 F CB 1.526 40.631 39.000 0.174 0.000 1.192 268 F HN 0.539 nan 8.300 nan 0.000 0.476 269 A N 1.217 124.385 122.820 0.579 0.000 2.272 269 A HA 0.781 5.101 4.320 -0.001 0.000 0.275 269 A C -0.313 177.520 177.584 0.416 0.000 1.096 269 A CA -0.215 52.146 52.037 0.540 0.000 0.822 269 A CB 0.078 19.456 19.000 0.630 0.000 1.088 269 A HN 0.912 nan 8.150 nan 0.000 0.495 270 A N 0.488 123.545 122.820 0.396 0.000 2.302 270 A HA 0.624 4.944 4.320 -0.001 0.000 0.285 270 A C 0.435 178.246 177.584 0.377 0.000 1.105 270 A CA -0.614 51.557 52.037 0.223 0.000 0.816 270 A CB 0.236 19.190 19.000 -0.076 0.000 1.067 270 A HN 0.763 nan 8.150 nan 0.000 0.489 271 R N 0.763 121.422 120.500 0.265 0.000 2.549 271 R HA 0.398 4.738 4.340 -0.001 0.000 0.259 271 R C 1.394 177.939 176.300 0.408 0.000 1.095 271 R CA -0.411 55.867 56.100 0.297 0.000 1.148 271 R CB -0.162 30.244 30.300 0.176 0.000 1.181 271 R HN 0.754 nan 8.270 nan 0.000 0.571 272 S N 1.443 117.320 115.700 0.295 0.000 2.370 272 S HA -0.095 4.375 4.470 -0.001 0.000 0.226 272 S C -1.032 173.715 174.600 0.245 0.000 1.033 272 S CA 1.609 59.967 58.200 0.264 0.000 1.011 272 S CB -0.803 62.470 63.200 0.121 0.000 0.852 272 S HN 0.473 nan 8.310 nan 0.000 0.457 273 P HA -0.118 nan 4.420 nan 0.000 0.215 273 P C 1.259 178.631 177.300 0.120 0.000 1.157 273 P CA 1.131 64.304 63.100 0.121 0.000 0.874 273 P CB -0.062 31.690 31.700 0.086 0.000 0.790 274 E N -1.588 118.671 120.200 0.098 0.000 2.085 274 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 274 E C 1.866 178.461 176.600 -0.008 0.000 0.994 274 E CA 1.142 57.544 56.400 0.004 0.000 0.801 274 E CB -0.625 29.019 29.700 -0.093 0.000 0.743 274 E HN 0.272 nan 8.360 nan 0.000 0.453 275 F N 1.343 121.330 119.950 0.061 0.000 2.113 275 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 275 F C 2.295 178.150 175.800 0.091 0.000 1.103 275 F CA 1.124 59.156 58.000 0.053 0.000 1.248 275 F CB -0.082 38.930 39.000 0.020 0.000 0.999 275 F HN -0.170 nan 8.300 nan 0.000 0.475 276 K N -0.091 120.469 120.400 0.265 0.000 2.209 276 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 276 K C 1.478 178.160 176.600 0.136 0.000 1.048 276 K CA 1.064 57.456 56.287 0.175 0.000 0.940 276 K CB -0.161 32.418 32.500 0.131 0.000 0.729 276 K HN 0.042 nan 8.250 nan 0.000 0.451 277 K N 0.153 120.628 120.400 0.125 0.000 2.444 277 K HA 0.010 4.330 4.320 -0.001 0.000 0.193 277 K C -0.163 176.496 176.600 0.097 0.000 1.024 277 K CA 0.224 56.563 56.287 0.086 0.000 1.077 277 K CB -0.015 32.522 32.500 0.062 0.000 0.833 277 K HN 0.149 nan 8.250 nan 0.000 0.517 278 H N 1.297 120.389 119.070 0.036 0.000 2.556 278 H HA 0.222 4.778 4.556 -0.001 0.000 0.310 278 H C -2.426 172.925 175.328 0.039 0.000 1.057 278 H CA -2.520 53.542 56.048 0.023 0.000 1.264 278 H CB 0.804 30.569 29.762 0.004 0.000 1.404 278 H HN -0.093 nan 8.280 nan 0.000 0.462 279 P HA 0.130 nan 4.420 nan 0.000 0.271 279 P C 0.030 177.235 177.300 -0.158 0.000 1.216 279 P CA 1.008 64.002 63.100 -0.176 0.000 0.776 279 P CB 1.587 33.171 31.700 -0.194 0.000 0.881 280 A N 1.613 124.446 122.820 0.022 0.000 3.585 280 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 280 A C 0.347 178.036 177.584 0.174 0.000 0.886 280 A CA 0.374 52.474 52.037 0.105 0.000 1.941 280 A CB -2.131 16.968 19.000 0.164 0.000 0.742 280 A HN 0.362 nan 8.150 nan 0.000 0.694 281 V N 4.269 124.324 119.914 0.235 0.000 2.427 281 V HA 0.470 4.590 4.120 -0.001 0.000 0.268 281 V C 0.864 177.055 176.094 0.161 0.000 1.046 281 V CA -0.038 62.398 62.300 0.227 0.000 0.970 281 V CB 0.689 32.680 31.823 0.280 0.000 1.001 281 V HN 0.521 nan 8.190 nan 0.000 0.476 282 R N 4.035 124.634 120.500 0.166 0.000 2.843 282 R HA 0.600 4.939 4.340 -0.001 0.000 0.232 282 R C 0.189 176.601 176.300 0.187 0.000 1.305 282 R CA -0.783 55.393 56.100 0.126 0.000 1.096 282 R CB 0.907 31.243 30.300 0.060 0.000 1.455 282 R HN 0.509 nan 8.270 nan 0.000 0.520 283 K N -0.276 120.196 120.400 0.121 0.000 2.477 283 K HA 0.215 4.535 4.320 -0.001 0.000 0.208 283 K C 0.066 176.712 176.600 0.076 0.000 1.117 283 K CA -0.012 56.377 56.287 0.170 0.000 1.039 283 K CB 1.434 33.994 32.500 0.100 0.000 0.937 283 K HN 0.325 nan 8.250 nan 0.000 0.570 284 E N 1.767 121.863 120.200 -0.174 0.000 2.317 284 E HA 0.291 4.640 4.350 -0.001 0.000 0.270 284 E C -2.702 173.365 176.600 -0.887 0.000 0.885 284 E CA -2.386 53.787 56.400 -0.379 0.000 0.760 284 E CB 2.118 31.685 29.700 -0.221 0.000 1.227 284 E HN -0.183 nan 8.360 nan 0.000 0.434 285 P HA 0.277 nan 4.420 nan 0.000 0.273 285 P C -0.254 176.638 177.300 -0.680 0.000 1.258 285 P CA -0.030 62.144 63.100 -1.543 0.000 0.802 285 P CB 0.606 31.546 31.700 -1.267 0.000 1.040 286 G N -1.336 107.188 108.800 -0.460 0.000 2.355 286 G HA2 0.394 4.354 3.960 -0.001 0.000 0.296 286 G HA3 0.394 4.354 3.960 -0.001 0.000 0.296 286 G C -3.404 171.420 174.900 -0.127 0.000 1.507 286 G CA -0.867 44.094 45.100 -0.232 0.000 0.823 286 G HN 0.247 nan 8.290 nan 0.000 0.569 287 P HA 0.397 nan 4.420 nan 0.000 0.267 287 P C 0.981 178.265 177.300 -0.026 0.000 1.205 287 P CA 1.708 64.782 63.100 -0.043 0.000 0.765 287 P CB 1.091 32.768 31.700 -0.037 0.000 0.828 288 G N 2.129 110.922 108.800 -0.011 0.000 2.148 288 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.254 288 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.254 288 G C -0.221 174.678 174.900 -0.001 0.000 0.981 288 G CA -0.316 44.780 45.100 -0.008 0.000 0.670 288 G HN 0.458 nan 8.290 nan 0.000 0.528 289 L N 0.622 121.859 121.223 0.024 0.000 2.322 289 L HA 0.743 5.083 4.340 -0.001 0.000 0.281 289 L C 0.630 177.597 176.870 0.161 0.000 1.014 289 L CA -1.400 53.490 54.840 0.085 0.000 0.815 289 L CB 1.934 44.057 42.059 0.107 0.000 1.247 289 L HN 0.174 nan 8.230 nan 0.000 0.421 290 V N 0.812 120.763 119.914 0.061 0.000 2.769 290 V HA 0.690 4.809 4.120 -0.001 0.000 0.312 290 V C -2.495 173.561 176.094 -0.064 0.000 1.058 290 V CA -2.346 59.929 62.300 -0.043 0.000 0.952 290 V CB 1.519 32.996 31.823 -0.576 0.000 1.019 290 V HN 0.543 nan 8.190 nan 0.000 0.445 291 P HA 0.220 nan 4.420 nan 0.000 0.275 291 P C -0.383 176.656 177.300 -0.435 0.000 1.228 291 P CA -0.143 62.581 63.100 -0.628 0.000 0.786 291 P CB 1.465 32.702 31.700 -0.771 0.000 0.927 292 V N 4.808 124.402 119.914 -0.532 0.000 2.415 292 V HA 0.032 4.152 4.120 -0.001 0.000 0.267 292 V C 1.022 176.800 176.094 -0.527 0.000 1.042 292 V CA -0.062 61.906 62.300 -0.554 0.000 1.000 292 V CB -0.414 30.952 31.823 -0.761 0.000 1.015 292 V HN 0.375 nan 8.190 nan 0.000 0.478 293 L N 5.598 126.466 121.223 -0.592 0.000 2.467 293 L HA 0.413 4.752 4.340 -0.001 0.000 0.270 293 L C 0.892 177.491 176.870 -0.452 0.000 1.205 293 L CA 0.261 54.674 54.840 -0.712 0.000 0.828 293 L CB 0.828 42.039 42.059 -1.413 0.000 1.101 293 L HN 0.822 nan 8.230 nan 0.000 0.479 294 T N -2.157 112.238 114.554 -0.265 0.000 2.742 294 T HA 0.376 4.725 4.350 -0.001 0.000 0.282 294 T C 1.007 175.757 174.700 0.085 0.000 1.025 294 T CA -0.152 61.940 62.100 -0.013 0.000 1.020 294 T CB 1.240 70.076 68.868 -0.054 0.000 1.317 294 T HN 0.580 nan 8.240 nan 0.000 0.538 295 G N -0.151 108.684 108.800 0.057 0.000 2.462 295 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.220 295 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.220 295 G C 1.408 176.244 174.900 -0.108 0.000 1.121 295 G CA 0.171 45.273 45.100 0.003 0.000 0.758 295 G HN 0.743 nan 8.290 nan 0.000 0.559 296 R N -0.027 120.331 120.500 -0.236 0.000 2.307 296 R HA 0.043 4.383 4.340 -0.001 0.000 0.199 296 R C 1.579 177.667 176.300 -0.353 0.000 1.000 296 R CA 0.853 56.702 56.100 -0.419 0.000 1.023 296 R CB -0.163 29.609 30.300 -0.880 0.000 0.908 296 R HN 0.384 nan 8.270 nan 0.000 0.473 297 N N 0.219 118.787 118.700 -0.220 0.000 2.424 297 N HA -0.021 4.719 4.740 -0.001 0.000 0.178 297 N C -0.148 175.216 175.510 -0.243 0.000 1.060 297 N CA 0.050 52.975 53.050 -0.209 0.000 0.901 297 N CB 0.294 38.599 38.487 -0.303 0.000 0.979 297 N HN -0.020 nan 8.380 nan 0.000 0.451 298 L N 1.265 122.411 121.223 -0.128 0.000 2.281 298 L HA 0.334 4.673 4.340 -0.001 0.000 0.285 298 L C -0.535 176.130 176.870 -0.342 0.000 1.074 298 L CA -0.062 54.687 54.840 -0.152 0.000 0.817 298 L CB 0.396 42.425 42.059 -0.050 0.000 1.168 298 L HN -0.170 nan 8.230 nan 0.000 0.434 299 K N 6.196 126.263 120.400 -0.556 0.000 2.295 299 K HA 0.622 4.941 4.320 -0.001 0.000 0.239 299 K C -2.562 173.761 176.600 -0.462 0.000 0.991 299 K CA -1.985 53.893 56.287 -0.681 0.000 0.845 299 K CB 1.415 33.034 32.500 -1.469 0.000 1.197 299 K HN 0.350 nan 8.250 nan 0.000 0.441 300 P HA 0.083 nan 4.420 nan 0.000 0.269 300 P C 0.147 177.433 177.300 -0.023 0.000 1.263 300 P CA 0.493 63.516 63.100 -0.128 0.000 0.813 300 P CB 0.364 32.023 31.700 -0.068 0.000 0.868 301 G N 2.541 111.347 108.800 0.010 0.000 2.213 301 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.226 301 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.226 301 G C -0.380 174.706 174.900 0.310 0.000 0.992 301 G CA -0.046 45.151 45.100 0.162 0.000 0.632 301 G HN 0.624 nan 8.290 nan 0.000 0.511 302 W N -1.016 120.284 121.300 0.000 0.000 2.989 302 W HA 0.678 5.337 4.660 -0.001 0.000 0.344 302 W C -1.308 175.178 176.519 -0.054 0.000 1.233 302 W CA -0.899 56.444 57.345 -0.003 0.000 1.187 302 W CB 0.672 30.136 29.460 0.007 0.000 1.443 302 W HN 0.439 nan 8.180 nan 0.000 0.573 303 V N 1.752 121.717 119.914 0.086 0.000 2.495 303 V HA 0.178 4.297 4.120 -0.001 0.000 0.298 303 V C -0.710 175.263 176.094 -0.202 0.000 1.031 303 V CA -0.204 61.927 62.300 -0.282 0.000 0.871 303 V CB 1.522 32.995 31.823 -0.583 0.000 0.988 303 V HN 0.477 nan 8.190 nan 0.000 0.432 304 D N 2.605 122.833 120.400 -0.287 0.000 2.456 304 D HA 0.251 4.891 4.640 -0.001 0.000 0.219 304 D C 0.159 176.356 176.300 -0.173 0.000 1.126 304 D CA -0.129 53.865 54.000 -0.010 0.000 0.890 304 D CB 0.555 41.351 40.800 -0.007 0.000 1.025 304 D HN 0.482 nan 8.370 nan 0.000 0.511 305 Y N 1.754 122.020 120.300 -0.057 0.000 2.529 305 Y HA 0.062 4.612 4.550 -0.000 0.000 0.290 305 Y C 1.892 177.750 175.900 -0.070 0.000 1.177 305 Y CA 0.080 58.060 58.100 -0.200 0.000 1.305 305 Y CB 0.211 38.465 38.460 -0.342 0.000 1.047 305 Y HN 0.401 nan 8.280 nan 0.000 0.522 306 E N 0.757 121.028 120.200 0.119 0.000 2.011 306 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 306 E C 0.568 177.174 176.600 0.010 0.000 0.980 306 E CA 0.668 57.121 56.400 0.090 0.000 0.814 306 E CB -0.249 29.510 29.700 0.098 0.000 0.775 306 E HN 0.147 nan 8.360 nan 0.000 0.454 307 K N 2.086 122.462 120.400 -0.040 0.000 2.401 307 K HA 0.057 4.377 4.320 -0.001 0.000 0.278 307 K C 0.251 176.642 176.600 -0.348 0.000 1.018 307 K CA 0.014 56.181 56.287 -0.200 0.000 0.981 307 K CB 0.293 32.650 32.500 -0.238 0.000 0.933 307 K HN -0.013 nan 8.250 nan 0.000 0.477 308 N N 2.020 120.452 118.700 -0.448 0.000 2.408 308 N HA 0.124 4.863 4.740 -0.001 0.000 0.280 308 N C -0.637 174.559 175.510 -0.524 0.000 1.002 308 N CA -0.176 52.566 53.050 -0.515 0.000 0.907 308 N CB 0.622 38.715 38.487 -0.657 0.000 1.161 308 N HN 0.542 nan 8.380 nan 0.000 0.488 309 H N 0.078 119.011 119.070 -0.230 0.000 2.893 309 H HA 0.159 4.715 4.556 -0.001 0.000 0.270 309 H C 1.168 176.404 175.328 -0.154 0.000 1.095 309 H CA 0.073 56.031 56.048 -0.152 0.000 1.186 309 H CB 0.830 30.513 29.762 -0.130 0.000 1.562 309 H HN 0.605 nan 8.280 nan 0.000 0.536 310 S N -1.508 114.107 115.700 -0.142 0.000 2.527 310 S HA 0.227 4.697 4.470 -0.001 0.000 0.227 310 S C 1.872 176.391 174.600 -0.134 0.000 1.059 310 S CA 0.345 58.452 58.200 -0.155 0.000 0.919 310 S CB 0.504 63.547 63.200 -0.263 0.000 0.805 310 S HN 0.447 nan 8.310 nan 0.000 0.500 311 G N 1.166 109.861 108.800 -0.175 0.000 2.136 311 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.242 311 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.242 311 G C -0.243 174.667 174.900 0.016 0.000 0.989 311 G CA 0.428 45.511 45.100 -0.029 0.000 0.682 311 G HN 0.537 nan 8.290 nan 0.000 0.522 312 L N -1.573 119.536 121.223 -0.189 0.000 2.370 312 L HA 0.899 5.238 4.340 -0.001 0.000 0.266 312 L C -0.360 176.358 176.870 -0.253 0.000 1.002 312 L CA -1.325 53.475 54.840 -0.067 0.000 0.818 312 L CB 1.561 43.534 42.059 -0.144 0.000 1.325 312 L HN 0.132 nan 8.230 nan 0.000 0.418 313 W N 3.109 124.369 121.300 -0.067 0.000 3.083 313 W HA 0.798 5.458 4.660 -0.001 0.000 0.333 313 W C -0.440 176.057 176.519 -0.036 0.000 1.217 313 W CA -0.567 56.736 57.345 -0.070 0.000 1.170 313 W CB 1.656 31.084 29.460 -0.053 0.000 1.437 313 W HN 0.388 nan 8.180 nan 0.000 0.557 314 M N 1.012 120.721 119.600 0.182 0.000 2.694 314 M HA 0.509 4.988 4.480 -0.001 0.000 0.276 314 M C -3.083 173.246 176.300 0.049 0.000 1.167 314 M CA -1.860 53.513 55.300 0.120 0.000 0.849 314 M CB 2.776 35.448 32.600 0.120 0.000 1.705 314 M HN 0.030 nan 8.290 nan 0.000 0.504 315 P HA 0.121 nan 4.420 nan 0.000 0.276 315 P C -0.414 176.862 177.300 -0.041 0.000 1.253 315 P CA 0.187 63.288 63.100 0.002 0.000 0.766 315 P CB 1.421 33.136 31.700 0.026 0.000 0.845 316 K N 3.996 124.328 120.400 -0.113 0.000 2.077 316 K HA -0.228 4.092 4.320 -0.001 0.000 0.213 316 K C 1.805 178.363 176.600 -0.070 0.000 1.051 316 K CA 2.026 58.215 56.287 -0.165 0.000 0.929 316 K CB -0.036 32.319 32.500 -0.242 0.000 0.715 316 K HN 0.480 nan 8.250 nan 0.000 0.451 317 E N 0.409 120.589 120.200 -0.033 0.000 2.267 317 E HA -0.226 4.124 4.350 -0.001 0.000 0.197 317 E C 1.368 177.978 176.600 0.017 0.000 0.998 317 E CA 1.188 57.588 56.400 0.002 0.000 0.830 317 E CB -0.224 29.481 29.700 0.009 0.000 0.751 317 E HN 0.410 nan 8.360 nan 0.000 0.491 318 R N 0.273 120.787 120.500 0.022 0.000 2.317 318 R HA 0.286 4.626 4.340 -0.001 0.000 0.208 318 R C 2.086 178.378 176.300 -0.013 0.000 0.914 318 R CA 0.507 56.637 56.100 0.050 0.000 1.060 318 R CB 0.089 30.473 30.300 0.140 0.000 1.015 318 R HN 0.205 nan 8.270 nan 0.000 0.498 319 A N 2.595 125.402 122.820 -0.022 0.000 1.902 319 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 319 A C 2.001 179.623 177.584 0.063 0.000 1.181 319 A CA 1.601 53.630 52.037 -0.013 0.000 0.623 319 A CB -0.264 18.725 19.000 -0.019 0.000 0.818 319 A HN 0.349 nan 8.150 nan 0.000 0.443 320 K N 0.198 120.625 120.400 0.046 0.000 2.360 320 K HA -0.145 4.175 4.320 -0.001 0.000 0.201 320 K C 1.248 177.810 176.600 -0.062 0.000 1.046 320 K CA 1.699 57.981 56.287 -0.008 0.000 0.940 320 K CB -0.298 32.205 32.500 0.005 0.000 0.748 320 K HN 0.594 nan 8.250 nan 0.000 0.465 321 E N 0.617 120.790 120.200 -0.044 0.000 2.347 321 E HA -0.047 4.303 4.350 -0.001 0.000 0.196 321 E C 1.646 178.186 176.600 -0.100 0.000 1.008 321 E CA 0.632 57.012 56.400 -0.033 0.000 0.852 321 E CB -0.010 29.735 29.700 0.075 0.000 0.783 321 E HN 0.362 nan 8.360 nan 0.000 0.505 322 L N -0.276 120.841 121.223 -0.177 0.000 2.200 322 L HA 0.103 4.443 4.340 -0.001 0.000 0.200 322 L C 0.708 177.383 176.870 -0.325 0.000 1.072 322 L CA 0.513 55.205 54.840 -0.247 0.000 0.787 322 L CB 0.422 42.277 42.059 -0.339 0.000 0.957 322 L HN -0.140 nan 8.230 nan 0.000 0.459 323 R N 0.102 120.299 120.500 -0.505 0.000 2.510 323 R HA 0.123 4.463 4.340 -0.001 0.000 0.287 323 R C -0.359 175.437 176.300 -0.840 0.000 1.084 323 R CA -0.396 55.129 56.100 -0.957 0.000 0.934 323 R CB 1.487 30.552 30.300 -2.058 0.000 1.201 323 R HN 0.073 nan 8.270 nan 0.000 0.431 324 D N 2.424 122.525 120.400 -0.498 0.000 2.133 324 D HA -0.235 4.405 4.640 -0.001 0.000 0.195 324 D C 1.459 177.626 176.300 -0.222 0.000 0.997 324 D CA 1.487 55.336 54.000 -0.252 0.000 0.840 324 D CB -0.551 40.189 40.800 -0.099 0.000 0.947 324 D HN 0.591 nan 8.370 nan 0.000 0.452 325 F N -0.895 118.935 119.950 -0.200 0.000 2.583 325 F HA -0.023 4.504 4.527 -0.001 0.000 0.297 325 F C 1.487 177.268 175.800 -0.032 0.000 1.131 325 F CA 0.034 57.930 58.000 -0.173 0.000 1.467 325 F CB -1.001 37.812 39.000 -0.311 0.000 1.097 325 F HN -0.174 nan 8.300 nan 0.000 0.586 326 Y N 1.312 121.443 120.300 -0.282 0.000 2.421 326 Y HA 0.115 4.664 4.550 -0.001 0.000 0.292 326 Y C 2.473 178.432 175.900 0.098 0.000 1.136 326 Y CA 0.086 58.165 58.100 -0.036 0.000 1.255 326 Y CB -1.084 37.290 38.460 -0.143 0.000 0.991 326 Y HN 0.281 nan 8.280 nan 0.000 0.552 327 A N -1.070 121.871 122.820 0.201 0.000 2.238 327 A HA 0.115 4.435 4.320 -0.001 0.000 0.208 327 A C 0.743 178.440 177.584 0.189 0.000 1.177 327 A CA 0.518 52.653 52.037 0.164 0.000 0.804 327 A CB -0.462 18.596 19.000 0.097 0.000 0.823 327 A HN 0.159 nan 8.150 nan 0.000 0.482 328 T N 1.919 116.624 114.554 0.252 0.000 2.792 328 T HA 0.471 4.821 4.350 -0.001 0.000 0.280 328 T C -2.994 171.892 174.700 0.310 0.000 0.990 328 T CA -1.247 61.004 62.100 0.252 0.000 0.960 328 T CB 1.711 70.714 68.868 0.225 0.000 0.939 328 T HN -0.082 nan 8.240 nan 0.000 0.439 329 P HA 0.216 nan 4.420 nan 0.000 0.264 329 P C -0.663 176.440 177.300 -0.328 0.000 1.193 329 P CA 0.201 63.284 63.100 -0.028 0.000 0.763 329 P CB 0.161 31.961 31.700 0.166 0.000 0.810 330 H N 0.894 119.480 119.070 -0.806 0.000 2.933 330 H HA 0.652 5.207 4.556 -0.001 0.000 0.310 330 H C -1.398 173.264 175.328 -1.110 0.000 1.351 330 H CA -1.333 54.093 56.048 -1.038 0.000 1.137 330 H CB 0.138 29.710 29.762 -0.316 0.000 1.853 330 H HN 0.152 nan 8.280 nan 0.000 0.539 331 L N 1.334 122.244 121.223 -0.521 0.000 2.349 331 L HA 0.527 4.866 4.340 -0.001 0.000 0.275 331 L C -1.035 175.691 176.870 -0.240 0.000 1.115 331 L CA -0.336 54.375 54.840 -0.214 0.000 0.820 331 L CB 1.050 43.074 42.059 -0.058 0.000 1.135 331 L HN 0.588 nan 8.230 nan 0.000 0.445 332 V N 5.565 125.288 119.914 -0.317 0.000 2.531 332 V HA 0.540 4.659 4.120 -0.001 0.000 0.301 332 V C -0.544 175.314 176.094 -0.394 0.000 1.034 332 V CA -0.716 61.290 62.300 -0.490 0.000 0.865 332 V CB 1.742 33.098 31.823 -0.778 0.000 0.995 332 V HN 0.507 nan 8.190 nan 0.000 0.424 333 V N 3.288 122.977 119.914 -0.376 0.000 2.555 333 V HA 0.817 4.936 4.120 -0.001 0.000 0.302 333 V C 0.467 176.430 176.094 -0.218 0.000 1.038 333 V CA -0.643 61.517 62.300 -0.233 0.000 0.887 333 V CB 1.915 33.637 31.823 -0.168 0.000 0.991 333 V HN 1.011 nan 8.190 nan 0.000 0.434 334 A N 2.362 125.074 122.820 -0.180 0.000 2.316 334 A HA 0.554 4.874 4.320 -0.001 0.000 0.284 334 A C 0.630 178.181 177.584 -0.055 0.000 1.115 334 A CA -0.074 51.840 52.037 -0.205 0.000 0.812 334 A CB 0.060 18.964 19.000 -0.160 0.000 1.064 334 A HN 1.202 nan 8.150 nan 0.000 0.489 335 H N -0.603 118.361 119.070 -0.176 0.000 3.170 335 H HA 0.088 4.644 4.556 -0.001 0.000 0.264 335 H C 0.852 176.115 175.328 -0.109 0.000 1.113 335 H CA 0.663 56.619 56.048 -0.154 0.000 1.194 335 H CB 0.169 29.637 29.762 -0.491 0.000 1.553 335 H HN 0.627 nan 8.280 nan 0.000 0.538 336 T N -0.870 113.791 114.554 0.178 0.000 3.086 336 T HA 0.167 4.516 4.350 -0.001 0.000 0.250 336 T C 1.110 175.848 174.700 0.064 0.000 1.074 336 T CA -0.296 61.882 62.100 0.130 0.000 0.988 336 T CB -0.027 68.892 68.868 0.085 0.000 0.988 336 T HN 0.213 nan 8.240 nan 0.000 0.530 337 K N 1.564 121.988 120.400 0.040 0.000 2.570 337 K HA 0.515 4.835 4.320 -0.001 0.000 0.210 337 K C 1.054 177.669 176.600 0.026 0.000 1.048 337 K CA -0.133 56.160 56.287 0.010 0.000 1.167 337 K CB 0.365 32.846 32.500 -0.032 0.000 0.892 337 K HN 0.510 nan 8.250 nan 0.000 0.480 338 G N 0.593 109.433 108.800 0.067 0.000 2.615 338 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 338 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 338 G C -0.280 174.651 174.900 0.053 0.000 1.339 338 G CA -0.778 44.353 45.100 0.053 0.000 0.884 338 G HN 0.103 nan 8.290 nan 0.000 0.559 339 T N 2.192 116.757 114.554 0.018 0.000 3.766 339 T HA 0.542 4.892 4.350 -0.001 0.000 0.327 339 T C 0.538 175.237 174.700 -0.001 0.000 1.595 339 T CA 0.714 62.819 62.100 0.008 0.000 1.204 339 T CB -0.715 68.143 68.868 -0.017 0.000 1.245 339 T HN 0.799 nan 8.240 nan 0.000 0.875 340 R N -1.005 119.496 120.500 0.002 0.000 2.692 340 R HA 0.643 4.982 4.340 -0.001 0.000 0.269 340 R C -1.883 174.402 176.300 -0.025 0.000 1.030 340 R CA -1.088 55.002 56.100 -0.017 0.000 0.882 340 R CB 0.977 31.262 30.300 -0.026 0.000 1.250 340 R HN 0.020 nan 8.270 nan 0.000 0.465 341 V N 1.962 121.846 119.914 -0.050 0.000 2.333 341 V HA 0.348 4.468 4.120 -0.001 0.000 0.274 341 V C -0.371 175.670 176.094 -0.087 0.000 1.028 341 V CA -0.683 61.573 62.300 -0.072 0.000 0.851 341 V CB 1.267 33.028 31.823 -0.103 0.000 1.000 341 V HN 0.506 nan 8.190 nan 0.000 0.456 342 V N 4.684 124.544 119.914 -0.090 0.000 2.350 342 V HA 0.836 4.956 4.120 -0.001 0.000 0.285 342 V C 0.312 176.329 176.094 -0.128 0.000 1.014 342 V CA -0.273 61.963 62.300 -0.107 0.000 0.831 342 V CB 1.397 33.152 31.823 -0.114 0.000 1.000 342 V HN 0.978 nan 8.190 nan 0.000 0.433 343 A N 4.139 126.890 122.820 -0.115 0.000 2.413 343 A HA 1.060 5.379 4.320 -0.001 0.000 0.307 343 A C -0.399 177.141 177.584 -0.072 0.000 1.087 343 A CA -0.210 51.759 52.037 -0.114 0.000 0.750 343 A CB 2.057 20.998 19.000 -0.098 0.000 1.296 343 A HN 1.538 nan 8.150 nan 0.000 0.423 344 A N 0.788 123.569 122.820 -0.065 0.000 2.604 344 A HA 0.628 4.947 4.320 -0.001 0.000 0.295 344 A C -1.545 176.085 177.584 0.076 0.000 1.067 344 A CA -0.312 51.739 52.037 0.023 0.000 0.683 344 A CB 0.864 19.851 19.000 -0.022 0.000 1.281 344 A HN 1.372 nan 8.150 nan 0.000 0.407 345 W N 2.742 124.032 121.300 -0.016 0.000 2.335 345 W HA 0.372 5.032 4.660 -0.000 0.000 0.307 345 W C -1.122 175.422 176.519 0.043 0.000 1.117 345 W CA 0.001 57.345 57.345 -0.000 0.000 1.228 345 W CB 1.402 30.886 29.460 0.041 0.000 1.240 345 W HN 0.790 nan 8.180 nan 0.000 0.468 346 D N 4.678 124.827 120.400 -0.418 0.000 2.508 346 D HA -0.065 4.575 4.640 -0.001 0.000 0.224 346 D C 1.540 177.763 176.300 -0.128 0.000 1.171 346 D CA 0.221 54.132 54.000 -0.148 0.000 1.006 346 D CB 0.310 41.007 40.800 -0.173 0.000 1.073 346 D HN 0.592 nan 8.370 nan 0.000 0.513 347 E N 1.730 122.052 120.200 0.204 0.000 2.265 347 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 347 E C 1.244 177.967 176.600 0.205 0.000 0.996 347 E CA 0.771 57.362 56.400 0.318 0.000 0.832 347 E CB 0.089 30.030 29.700 0.400 0.000 0.756 347 E HN 0.288 nan 8.360 nan 0.000 0.491 348 R N 0.187 120.783 120.500 0.160 0.000 2.290 348 R HA 0.318 4.658 4.340 -0.001 0.000 0.197 348 R C 0.174 176.619 176.300 0.241 0.000 0.913 348 R CA 0.516 56.679 56.100 0.105 0.000 1.040 348 R CB 0.543 30.729 30.300 -0.191 0.000 0.992 348 R HN 0.194 nan 8.270 nan 0.000 0.500 349 A N 0.718 123.702 122.820 0.274 0.000 2.301 349 A HA -0.220 4.100 4.320 -0.001 0.000 0.283 349 A C -0.821 177.009 177.584 0.410 0.000 1.419 349 A CA 0.338 52.566 52.037 0.319 0.000 0.730 349 A CB -1.942 17.209 19.000 0.253 0.000 1.161 349 A HN 0.282 nan 8.150 nan 0.000 0.356 350 Y N 0.921 121.325 120.300 0.172 0.000 2.458 350 Y HA 0.636 5.185 4.550 -0.001 0.000 0.322 350 Y C -1.644 174.180 175.900 -0.127 0.000 1.259 350 Y CA -1.892 56.206 58.100 -0.005 0.000 1.302 350 Y CB 0.846 39.264 38.460 -0.071 0.000 1.314 350 Y HN 0.414 nan 8.280 nan 0.000 0.509 351 P HA 0.079 nan 4.420 nan 0.000 0.279 351 P C -1.327 175.692 177.300 -0.468 0.000 1.239 351 P CA -0.142 62.639 63.100 -0.531 0.000 0.789 351 P CB 0.866 32.370 31.700 -0.326 0.000 0.933 352 W N 1.763 122.813 121.300 -0.417 0.000 2.781 352 W HA 0.503 5.162 4.660 -0.001 0.000 0.345 352 W C 1.550 178.108 176.519 0.065 0.000 1.085 352 W CA -0.528 56.777 57.345 -0.067 0.000 1.198 352 W CB 1.995 31.575 29.460 0.199 0.000 1.423 352 W HN 0.323 nan 8.180 nan 0.000 0.532 353 R N 0.566 121.222 120.500 0.260 0.000 2.365 353 R HA 0.108 4.448 4.340 -0.001 0.000 0.223 353 R C 0.044 176.540 176.300 0.327 0.000 0.899 353 R CA 0.677 56.915 56.100 0.229 0.000 1.059 353 R CB 0.502 30.766 30.300 -0.060 0.000 1.086 353 R HN 0.750 nan 8.270 nan 0.000 0.522 354 E N -0.656 119.774 120.200 0.383 0.000 2.377 354 E HA 0.229 4.579 4.350 -0.001 0.000 0.266 354 E C -1.292 175.336 176.600 0.047 0.000 1.111 354 E CA -0.950 55.590 56.400 0.234 0.000 0.889 354 E CB 1.021 30.805 29.700 0.140 0.000 1.644 354 E HN -0.111 nan 8.360 nan 0.000 0.464 355 E N -1.450 118.435 120.200 -0.524 0.000 9.140 355 E HA -0.145 4.205 4.350 -0.001 0.000 0.500 355 E C -1.279 174.746 176.600 -0.959 0.000 1.410 355 E CA 0.562 56.355 56.400 -1.013 0.000 2.471 355 E CB -1.011 28.230 29.700 -0.765 0.000 1.023 355 E HN 0.418 nan 8.360 nan 0.000 0.270 356 F N 0.658 120.108 119.950 -0.834 0.000 2.396 356 F HA 0.327 4.853 4.527 -0.000 0.000 0.343 356 F C 0.933 176.172 175.800 -0.934 0.000 1.104 356 F CA 0.089 57.638 58.000 -0.753 0.000 1.161 356 F CB 0.722 39.394 39.000 -0.547 0.000 1.146 356 F HN 0.216 nan 8.300 nan 0.000 0.522 357 H N 3.400 122.299 119.070 -0.285 0.000 2.646 357 H HA 0.501 5.057 4.556 -0.001 0.000 0.328 357 H C -1.157 173.914 175.328 -0.430 0.000 0.998 357 H CA -0.710 55.121 56.048 -0.361 0.000 1.225 357 H CB 1.011 30.488 29.762 -0.475 0.000 1.457 357 H HN 0.296 nan 8.280 nan 0.000 0.505 358 L N 4.267 125.347 121.223 -0.239 0.000 2.272 358 L HA 0.247 4.587 4.340 -0.001 0.000 0.289 358 L C -0.820 176.045 176.870 -0.008 0.000 1.032 358 L CA -0.251 54.457 54.840 -0.221 0.000 0.810 358 L CB 0.797 42.537 42.059 -0.532 0.000 1.205 358 L HN 0.483 nan 8.230 nan 0.000 0.422 359 L N 6.055 127.340 121.223 0.103 0.000 2.305 359 L HA 0.522 4.862 4.340 -0.001 0.000 0.284 359 L C -2.104 174.987 176.870 0.369 0.000 1.013 359 L CA -1.741 53.224 54.840 0.209 0.000 0.819 359 L CB 1.695 43.795 42.059 0.068 0.000 1.227 359 L HN 0.342 nan 8.230 nan 0.000 0.417 360 P HA 0.075 nan 4.420 nan 0.000 0.268 360 P C -0.425 176.834 177.300 -0.069 0.000 1.205 360 P CA -0.216 62.835 63.100 -0.081 0.000 0.771 360 P CB 0.996 32.621 31.700 -0.125 0.000 0.858 361 K N 1.630 121.860 120.400 -0.283 0.000 2.168 361 K HA 0.141 4.461 4.320 -0.001 0.000 0.258 361 K C 0.700 177.274 176.600 -0.044 0.000 1.010 361 K CA -0.467 55.683 56.287 -0.229 0.000 0.929 361 K CB 0.398 32.640 32.500 -0.429 0.000 0.998 361 K HN 0.431 nan 8.250 nan 0.000 0.479 362 E N 0.414 120.654 120.200 0.067 0.000 2.414 362 E HA -0.014 4.336 4.350 -0.001 0.000 0.263 362 E C 0.955 177.670 176.600 0.191 0.000 1.000 362 E CA 0.881 57.344 56.400 0.106 0.000 0.914 362 E CB 0.877 30.643 29.700 0.109 0.000 0.948 362 E HN 0.896 nan 8.360 nan 0.000 0.444 363 G N 1.916 110.770 108.800 0.089 0.000 2.195 363 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.246 363 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.246 363 G C 0.251 175.158 174.900 0.012 0.000 0.984 363 G CA 0.132 45.227 45.100 -0.008 0.000 0.633 363 G HN 0.399 nan 8.290 nan 0.000 0.525 364 V N 2.158 122.115 119.914 0.072 0.000 2.461 364 V HA 0.564 4.684 4.120 -0.001 0.000 0.275 364 V C 0.717 176.662 176.094 -0.249 0.000 1.047 364 V CA -0.243 61.999 62.300 -0.097 0.000 0.955 364 V CB 1.232 32.927 31.823 -0.213 0.000 0.988 364 V HN 0.346 nan 8.190 nan 0.000 0.471 365 R N 5.467 125.678 120.500 -0.482 0.000 2.480 365 R HA 0.775 5.114 4.340 -0.001 0.000 0.306 365 R C -0.956 175.012 176.300 -0.554 0.000 0.958 365 R CA -0.625 55.188 56.100 -0.479 0.000 0.861 365 R CB 2.076 32.089 30.300 -0.480 0.000 1.171 365 R HN 0.777 nan 8.270 nan 0.000 0.445 366 L N -1.292 119.777 121.223 -0.257 0.000 2.359 366 L HA 0.687 5.026 4.340 -0.001 0.000 0.256 366 L C -0.970 175.863 176.870 -0.061 0.000 1.026 366 L CA -1.076 53.690 54.840 -0.124 0.000 0.828 366 L CB 2.288 44.336 42.059 -0.018 0.000 1.406 366 L HN 0.291 nan 8.230 nan 0.000 0.413 367 D N 0.863 121.264 120.400 0.001 0.000 2.473 367 D HA 0.436 5.075 4.640 -0.001 0.000 0.226 367 D C -1.930 174.311 176.300 -0.097 0.000 1.089 367 D CA -2.138 51.841 54.000 -0.036 0.000 0.883 367 D CB 1.727 42.550 40.800 0.039 0.000 1.029 367 D HN 0.294 nan 8.370 nan 0.000 0.517 368 P HA -0.208 nan 4.420 nan 0.000 0.217 368 P C 1.234 178.396 177.300 -0.229 0.000 1.162 368 P CA 1.367 64.225 63.100 -0.403 0.000 0.901 368 P CB 0.254 31.359 31.700 -0.993 0.000 0.793 369 S N -0.751 114.826 115.700 -0.205 0.000 2.365 369 S HA -0.190 4.279 4.470 -0.001 0.000 0.225 369 S C 1.977 176.513 174.600 -0.106 0.000 1.039 369 S CA 2.267 60.397 58.200 -0.117 0.000 1.033 369 S CB -1.829 61.318 63.200 -0.088 0.000 0.887 369 S HN 0.430 nan 8.310 nan 0.000 0.447 370 T N 0.395 114.863 114.554 -0.143 0.000 2.978 370 T HA 0.164 4.513 4.350 -0.001 0.000 0.262 370 T C 1.709 176.114 174.700 -0.491 0.000 1.063 370 T CA 0.496 62.425 62.100 -0.285 0.000 1.140 370 T CB -0.440 68.281 68.868 -0.246 0.000 0.886 370 T HN 0.168 nan 8.240 nan 0.000 0.470 371 L N 1.798 122.862 121.223 -0.264 0.000 2.017 371 L HA 0.051 4.390 4.340 -0.001 0.000 0.208 371 L C 2.588 179.453 176.870 -0.008 0.000 1.073 371 L CA 1.411 56.198 54.840 -0.089 0.000 0.745 371 L CB -0.934 41.190 42.059 0.109 0.000 0.894 371 L HN 0.151 nan 8.230 nan 0.000 0.432 372 V N 0.420 120.325 119.914 -0.015 0.000 2.255 372 V HA -0.352 3.767 4.120 -0.001 0.000 0.247 372 V C 2.697 178.785 176.094 -0.010 0.000 1.051 372 V CA 2.137 64.442 62.300 0.010 0.000 1.018 372 V CB -1.006 30.843 31.823 0.043 0.000 0.641 372 V HN 0.734 nan 8.190 nan 0.000 0.445 373 Q N -0.541 119.242 119.800 -0.029 0.000 2.112 373 Q HA -0.295 4.045 4.340 -0.001 0.000 0.206 373 Q C 2.237 178.259 176.000 0.036 0.000 0.987 373 Q CA 2.563 58.363 55.803 -0.006 0.000 0.858 373 Q CB -0.474 28.253 28.738 -0.020 0.000 0.905 373 Q HN 0.850 nan 8.270 nan 0.000 0.420 374 W N 0.591 121.769 121.300 -0.204 0.000 2.354 374 W HA -0.238 4.422 4.660 -0.000 0.000 0.315 374 W C 1.697 178.194 176.519 -0.036 0.000 1.206 374 W CA 0.615 57.888 57.345 -0.120 0.000 1.290 374 W CB -0.171 29.163 29.460 -0.211 0.000 1.152 374 W HN 0.243 nan 8.180 nan 0.000 0.489 375 L N 1.968 123.048 121.223 -0.238 0.000 2.079 375 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 375 L C 1.848 178.560 176.870 -0.263 0.000 1.081 375 L CA 1.803 56.450 54.840 -0.322 0.000 0.752 375 L CB -1.509 40.466 42.059 -0.140 0.000 0.896 375 L HN 0.060 nan 8.230 nan 0.000 0.433 376 N N -0.846 117.758 118.700 -0.160 0.000 2.398 376 N HA 0.014 4.754 4.740 -0.001 0.000 0.188 376 N C 0.684 176.128 175.510 -0.110 0.000 1.122 376 N CA 0.395 53.377 53.050 -0.113 0.000 0.866 376 N CB -0.008 38.446 38.487 -0.055 0.000 0.970 376 N HN 0.378 nan 8.380 nan 0.000 0.462 377 S N 0.174 115.781 115.700 -0.155 0.000 2.576 377 S HA 0.014 4.484 4.470 -0.001 0.000 0.272 377 S C 1.186 175.723 174.600 -0.106 0.000 1.352 377 S CA -0.391 57.747 58.200 -0.103 0.000 1.021 377 S CB 1.571 64.726 63.200 -0.075 0.000 0.887 377 S HN 0.231 nan 8.310 nan 0.000 0.542 378 E N 1.274 121.448 120.200 -0.043 0.000 2.268 378 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 378 E C 1.984 178.563 176.600 -0.035 0.000 0.995 378 E CA 0.914 57.295 56.400 -0.030 0.000 0.836 378 E CB -0.434 29.265 29.700 -0.001 0.000 0.763 378 E HN 0.843 nan 8.360 nan 0.000 0.491 379 A N 0.514 123.307 122.820 -0.045 0.000 1.930 379 A HA -0.118 4.202 4.320 -0.001 0.000 0.215 379 A C 2.007 179.522 177.584 -0.115 0.000 1.176 379 A CA 1.077 53.094 52.037 -0.033 0.000 0.632 379 A CB -0.312 18.715 19.000 0.044 0.000 0.819 379 A HN 0.311 nan 8.150 nan 0.000 0.445 380 M N -0.289 119.139 119.600 -0.288 0.000 2.229 380 M HA -0.103 4.377 4.480 -0.001 0.000 0.264 380 M C 1.900 178.140 176.300 -0.101 0.000 1.063 380 M CA 1.442 56.552 55.300 -0.318 0.000 1.114 380 M CB -0.417 31.853 32.600 -0.551 0.000 1.387 380 M HN 0.385 nan 8.290 nan 0.000 0.420 381 Q N 0.030 119.778 119.800 -0.087 0.000 2.079 381 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 381 Q C 2.145 178.137 176.000 -0.014 0.000 0.974 381 Q CA 1.587 57.363 55.803 -0.044 0.000 0.840 381 Q CB -0.795 27.915 28.738 -0.048 0.000 0.898 381 Q HN 0.628 nan 8.270 nan 0.000 0.430 382 K N 0.074 120.472 120.400 -0.004 0.000 2.147 382 K HA -0.217 4.102 4.320 -0.001 0.000 0.205 382 K C 2.035 178.651 176.600 0.026 0.000 1.049 382 K CA 1.306 57.596 56.287 0.005 0.000 0.936 382 K CB -0.093 32.418 32.500 0.017 0.000 0.722 382 K HN 0.199 nan 8.250 nan 0.000 0.446 383 H N 0.077 119.120 119.070 -0.045 0.000 2.293 383 H HA -0.079 4.476 4.556 -0.000 0.000 0.300 383 H C 1.757 177.061 175.328 -0.041 0.000 1.082 383 H CA 2.190 58.218 56.048 -0.033 0.000 1.308 383 H CB -0.209 29.537 29.762 -0.026 0.000 1.375 383 H HN -0.021 nan 8.280 nan 0.000 0.495 384 V N 0.383 120.306 119.914 0.015 0.000 2.490 384 V HA -0.195 3.925 4.120 -0.001 0.000 0.250 384 V C 2.594 178.671 176.094 -0.028 0.000 1.061 384 V CA 2.080 64.400 62.300 0.034 0.000 1.064 384 V CB -0.481 31.403 31.823 0.101 0.000 0.670 384 V HN 0.309 nan 8.190 nan 0.000 0.461 385 R N -0.294 120.163 120.500 -0.072 0.000 2.073 385 R HA -0.105 4.235 4.340 -0.001 0.000 0.229 385 R C 2.470 178.644 176.300 -0.211 0.000 1.120 385 R CA 1.896 57.923 56.100 -0.121 0.000 0.967 385 R CB -0.582 29.663 30.300 -0.092 0.000 0.862 385 R HN 0.501 nan 8.270 nan 0.000 0.436 386 T N 0.916 115.350 114.554 -0.199 0.000 2.708 386 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 386 T C 1.700 176.212 174.700 -0.313 0.000 1.037 386 T CA 1.278 63.247 62.100 -0.219 0.000 1.146 386 T CB -0.150 68.650 68.868 -0.114 0.000 0.865 386 T HN 0.110 nan 8.240 nan 0.000 0.435 387 L N -0.722 120.247 121.223 -0.424 0.000 2.005 387 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 387 L C 1.881 178.304 176.870 -0.746 0.000 1.072 387 L CA 1.503 55.956 54.840 -0.645 0.000 0.744 387 L CB -0.348 41.080 42.059 -1.052 0.000 0.895 387 L HN 0.349 nan 8.230 nan 0.000 0.433 388 Y N -1.635 118.453 120.300 -0.353 0.000 2.467 388 Y HA 0.238 4.788 4.550 -0.001 0.000 0.250 388 Y C 1.336 176.649 175.900 -0.977 0.000 1.155 388 Y CA -0.901 56.852 58.100 -0.578 0.000 1.249 388 Y CB -0.135 38.170 38.460 -0.258 0.000 1.146 388 Y HN 0.004 nan 8.280 nan 0.000 0.524 389 R N 0.934 121.047 120.500 -0.646 0.000 3.488 389 R HA -0.293 4.046 4.340 -0.001 0.000 0.590 389 R C 0.053 176.128 176.300 -0.375 0.000 0.241 389 R CA 2.038 57.791 56.100 -0.578 0.000 1.822 389 R CB -1.223 28.581 30.300 -0.826 0.000 0.845 389 R HN 0.451 nan 8.270 nan 0.000 0.628 390 D N -0.096 120.150 120.400 -0.256 0.000 2.643 390 D HA 0.130 4.769 4.640 -0.001 0.000 0.244 390 D C 0.866 177.237 176.300 0.118 0.000 1.257 390 D CA -0.184 53.793 54.000 -0.040 0.000 0.831 390 D CB -0.105 40.718 40.800 0.038 0.000 1.043 390 D HN 0.186 nan 8.370 nan 0.000 0.488 391 F N 1.409 121.388 119.950 0.049 0.000 2.065 391 F HA -0.072 4.454 4.527 -0.001 0.000 0.298 391 F C 1.534 177.309 175.800 -0.041 0.000 1.112 391 F CA 0.516 58.524 58.000 0.014 0.000 1.212 391 F CB -0.895 38.099 39.000 -0.010 0.000 0.975 391 F HN 0.060 nan 8.300 nan 0.000 0.476 392 V N -3.132 116.857 119.914 0.125 0.000 2.960 392 V HA 0.445 4.565 4.120 -0.001 0.000 0.315 392 V C -1.915 174.091 176.094 -0.146 0.000 1.087 392 V CA -1.567 60.704 62.300 -0.048 0.000 0.982 392 V CB 1.734 33.509 31.823 -0.080 0.000 1.039 392 V HN -0.126 nan 8.190 nan 0.000 0.437 393 P HA 0.087 nan 4.420 nan 0.000 0.242 393 P C -0.288 176.890 177.300 -0.204 0.000 1.197 393 P CA 1.038 63.993 63.100 -0.241 0.000 0.765 393 P CB -0.307 31.270 31.700 -0.206 0.000 0.936 394 H N -3.132 115.949 119.070 0.018 0.000 3.064 394 H HA 0.468 5.023 4.556 -0.001 0.000 0.352 394 H C -0.902 174.442 175.328 0.028 0.000 1.260 394 H CA -1.600 54.460 56.048 0.020 0.000 1.160 394 H CB -0.285 29.483 29.762 0.010 0.000 1.879 394 H HN -0.238 nan 8.280 nan 0.000 0.544 395 L N 2.002 123.369 121.223 0.239 0.000 2.525 395 L HA 0.334 4.674 4.340 -0.001 0.000 0.278 395 L C 0.305 177.343 176.870 0.280 0.000 1.218 395 L CA 0.824 55.766 54.840 0.170 0.000 0.878 395 L CB 0.307 42.459 42.059 0.154 0.000 1.127 395 L HN 1.089 nan 8.230 nan 0.000 0.492 396 T N 1.810 116.459 114.554 0.158 0.000 2.950 396 T HA 0.312 4.662 4.350 -0.001 0.000 0.288 396 T C 0.906 175.666 174.700 0.101 0.000 1.035 396 T CA -0.580 61.651 62.100 0.218 0.000 1.028 396 T CB 1.094 70.050 68.868 0.147 0.000 1.109 396 T HN 0.601 nan 8.240 nan 0.000 0.514 397 L N 0.927 122.258 121.223 0.180 0.000 2.021 397 L HA -0.060 4.279 4.340 -0.001 0.000 0.215 397 L C 2.686 179.501 176.870 -0.091 0.000 1.074 397 L CA 1.775 56.583 54.840 -0.054 0.000 0.760 397 L CB -0.737 41.428 42.059 0.176 0.000 0.889 397 L HN 0.634 nan 8.230 nan 0.000 0.433 398 R N -0.879 119.612 120.500 -0.014 0.000 2.096 398 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 398 R C 2.150 178.417 176.300 -0.056 0.000 1.127 398 R CA 1.939 58.030 56.100 -0.014 0.000 0.968 398 R CB -0.651 29.664 30.300 0.025 0.000 0.861 398 R HN 0.497 nan 8.270 nan 0.000 0.440 399 M N -0.103 119.403 119.600 -0.156 0.000 2.156 399 M HA -0.137 4.342 4.480 -0.001 0.000 0.264 399 M C 2.234 178.475 176.300 -0.099 0.000 1.067 399 M CA 1.121 56.280 55.300 -0.235 0.000 1.131 399 M CB -0.405 31.882 32.600 -0.523 0.000 1.368 399 M HN 0.025 nan 8.290 nan 0.000 0.416 400 L N 1.598 122.718 121.223 -0.171 0.000 1.989 400 L HA -0.218 4.122 4.340 -0.001 0.000 0.211 400 L C 2.404 179.187 176.870 -0.144 0.000 1.071 400 L CA 2.126 56.836 54.840 -0.216 0.000 0.749 400 L CB -0.742 41.020 42.059 -0.495 0.000 0.890 400 L HN 0.430 nan 8.230 nan 0.000 0.431 401 E N -0.916 119.205 120.200 -0.133 0.000 2.401 401 E HA -0.228 4.122 4.350 -0.001 0.000 0.199 401 E C 1.650 178.260 176.600 0.016 0.000 1.023 401 E CA 0.942 57.306 56.400 -0.059 0.000 0.859 401 E CB -0.301 29.369 29.700 -0.050 0.000 0.780 401 E HN 0.567 nan 8.360 nan 0.000 0.523 402 R N 0.517 121.047 120.500 0.049 0.000 2.397 402 R HA 0.281 4.621 4.340 -0.001 0.000 0.241 402 R C 0.281 176.666 176.300 0.142 0.000 0.914 402 R CA -0.268 55.895 56.100 0.105 0.000 1.071 402 R CB 0.343 30.729 30.300 0.143 0.000 1.116 402 R HN 0.146 nan 8.270 nan 0.000 0.524 403 L N 4.453 125.746 121.223 0.117 0.000 2.499 403 L HA 0.098 4.438 4.340 -0.001 0.000 0.273 403 L C -1.929 175.035 176.870 0.157 0.000 1.195 403 L CA -1.407 53.514 54.840 0.135 0.000 0.882 403 L CB 0.100 42.199 42.059 0.066 0.000 1.133 403 L HN -0.226 nan 8.230 nan 0.000 0.483 404 P HA 0.112 nan 4.420 nan 0.000 0.282 404 P C -0.706 176.842 177.300 0.413 0.000 1.262 404 P CA -0.256 62.977 63.100 0.220 0.000 0.773 404 P CB 1.467 33.261 31.700 0.157 0.000 0.879 405 V N 5.633 125.733 119.914 0.310 0.000 2.333 405 V HA 0.239 4.359 4.120 -0.001 0.000 0.274 405 V C 1.226 177.341 176.094 0.036 0.000 1.028 405 V CA -0.661 61.839 62.300 0.334 0.000 0.851 405 V CB 0.489 32.492 31.823 0.300 0.000 1.000 405 V HN 0.547 nan 8.190 nan 0.000 0.456 406 R N 4.741 125.058 120.500 -0.305 0.000 2.480 406 R HA 0.062 4.402 4.340 -0.001 0.000 0.303 406 R C 1.505 177.481 176.300 -0.540 0.000 0.985 406 R CA -0.370 55.370 56.100 -0.600 0.000 1.051 406 R CB 0.313 29.901 30.300 -1.187 0.000 0.935 406 R HN 0.583 nan 8.270 nan 0.000 0.410 407 R N 2.756 123.062 120.500 -0.323 0.000 2.279 407 R HA -0.257 4.082 4.340 -0.001 0.000 0.264 407 R C 1.268 177.452 176.300 -0.194 0.000 1.138 407 R CA 2.342 58.319 56.100 -0.204 0.000 0.981 407 R CB -0.583 29.612 30.300 -0.176 0.000 0.909 407 R HN 0.786 nan 8.270 nan 0.000 0.462 408 E N -0.115 119.853 120.200 -0.387 0.000 2.494 408 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 408 E C 0.845 177.402 176.600 -0.071 0.000 1.074 408 E CA 0.558 56.812 56.400 -0.243 0.000 0.867 408 E CB -0.104 29.444 29.700 -0.255 0.000 0.924 408 E HN 0.401 nan 8.360 nan 0.000 0.502 409 Y N 1.238 121.539 120.300 0.002 0.000 2.441 409 Y HA 0.421 4.971 4.550 -0.000 0.000 0.288 409 Y C 1.470 177.407 175.900 0.063 0.000 1.118 409 Y CA 0.146 58.260 58.100 0.022 0.000 1.215 409 Y CB 0.380 38.833 38.460 -0.011 0.000 1.118 409 Y HN 0.107 nan 8.280 nan 0.000 0.547 410 G N -0.181 108.749 108.800 0.217 0.000 2.755 410 G HA2 0.508 4.468 3.960 -0.001 0.000 0.297 410 G HA3 0.508 4.468 3.960 -0.001 0.000 0.297 410 G C -1.680 173.281 174.900 0.102 0.000 1.441 410 G CA -0.677 44.458 45.100 0.059 0.000 0.964 410 G HN 0.009 nan 8.290 nan 0.000 0.540 411 F N -0.420 119.526 119.950 -0.007 0.000 2.645 411 F HA 0.663 5.190 4.527 -0.000 0.000 0.310 411 F C -0.770 175.054 175.800 0.040 0.000 1.102 411 F CA -1.463 56.538 58.000 0.002 0.000 0.952 411 F CB 1.576 40.567 39.000 -0.015 0.000 1.326 411 F HN 0.594 nan 8.300 nan 0.000 0.456 412 H N 1.267 120.394 119.070 0.094 0.000 2.552 412 H HA 0.503 5.058 4.556 -0.000 0.000 0.311 412 H C -0.930 174.482 175.328 0.140 0.000 1.071 412 H CA -0.139 55.917 56.048 0.013 0.000 1.307 412 H CB 1.356 31.110 29.762 -0.012 0.000 1.416 412 H HN 0.877 nan 8.280 nan 0.000 0.464 413 T N 0.000 114.445 114.554 -0.182 0.000 3.816 413 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 413 T CA 0.000 62.038 62.100 -0.103 0.000 1.349 413 T CB 0.000 68.914 68.868 0.076 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658