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 2fo0_1_A DATA FIRST_RESID 65 DATA SEQUENCE ARWNXKENLL AGPSENDPNL FVALYDFVAS GDNTLSITKG EKLRVLGYNH DATA SEQUENCE NGEWCEAQTK NGQGWVPSNY ITPVNSLEKH SWYHGPVSRN AAEYLLSSGI DATA SEQUENCE NGSFLVRESE SSPGQRSISL RYEGRVYHYR INTASDGKLY VSSESRFNTL DATA SEQUENCE AELVHHHSTV ADGLITTLHY PAPKRNKPTV YGVSPNYDKW EMERTDITMK DATA SEQUENCE HKLGGGQYGE VYEGVWKKYS LTVAVKTLKE DTMEVEEFLK EAAVMKEIKH DATA SEQUENCE PNLVQLLGVC TREPPFYIIT EFMTYGNLLD YLRECNRQEV NAVVLLYMAT DATA SEQUENCE QISSAMEYLE KKNFIHRNLA ARNCLVGENH LVKVADFGLS RLMTGDTYTA DATA SEQUENCE HAGAKFPIKW TAPESLAYNK FSIKSDVWAF GVLLWEIATY GMSPYPGIDL DATA SEQUENCE SQVYELLEKD YRMERPEGCP EKVYELMRAC WQWNPSDRPS FAEIHQAFET DATA SEQUENCE MFQESSISDE VEKELG 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 65 A HA 0.000 nan 4.320 nan 0.000 0.244 65 A C 0.000 177.520 177.584 -0.107 0.000 1.274 65 A CA 0.000 51.903 52.037 -0.224 0.000 0.836 65 A CB 0.000 18.695 19.000 -0.509 0.000 0.831 66 R N 0.319 120.920 120.500 0.168 0.000 2.795 66 R HA 0.511 4.843 4.340 -0.014 0.000 0.275 66 R C -1.219 175.330 176.300 0.415 0.000 0.981 66 R CA -0.745 55.499 56.100 0.240 0.000 0.917 66 R CB 1.817 32.216 30.300 0.165 0.000 1.202 66 R HN 0.544 nan 8.270 nan 0.000 0.469 67 W N 3.948 125.345 121.300 0.162 0.000 2.147 67 W HA 0.261 4.913 4.660 -0.014 0.000 0.325 67 W C -0.751 175.834 176.519 0.111 0.000 0.855 67 W CA -1.499 55.933 57.345 0.144 0.000 1.642 67 W CB -0.719 28.823 29.460 0.136 0.000 1.750 67 W HN 0.568 nan 8.180 nan 0.000 0.359 71 E N 0.730 120.822 120.200 -0.180 0.000 2.461 71 E HA -0.002 4.340 4.350 -0.014 0.000 0.196 71 E C 0.211 176.781 176.600 -0.050 0.000 1.129 71 E CA 0.842 57.184 56.400 -0.096 0.000 0.902 71 E CB -0.238 29.425 29.700 -0.061 0.000 0.963 71 E HN 0.348 nan 8.360 nan 0.000 0.503 72 N N -0.406 118.279 118.700 -0.026 0.000 2.143 72 N HA 0.064 4.796 4.740 -0.014 0.000 0.222 72 N C 0.839 176.386 175.510 0.060 0.000 1.264 72 N CA -0.274 52.788 53.050 0.020 0.000 0.897 72 N CB 0.306 38.822 38.487 0.048 0.000 1.092 72 N HN -0.010 nan 8.380 nan 0.000 0.516 73 L N 1.188 122.445 121.223 0.056 0.000 2.051 73 L HA -0.081 4.250 4.340 -0.014 0.000 0.214 73 L C 1.176 178.079 176.870 0.056 0.000 1.076 73 L CA 1.793 56.705 54.840 0.120 0.000 0.758 73 L CB -0.262 41.856 42.059 0.098 0.000 0.890 73 L HN 0.266 nan 8.230 nan 0.000 0.433 74 L N -0.607 120.581 121.223 -0.058 0.000 2.688 74 L HA 0.270 4.601 4.340 -0.014 0.000 0.234 74 L C 0.673 177.520 176.870 -0.038 0.000 1.192 74 L CA -0.330 54.450 54.840 -0.100 0.000 0.984 74 L CB -0.721 41.191 42.059 -0.245 0.000 1.232 74 L HN 0.177 nan 8.230 nan 0.000 0.465 75 A N -0.021 122.805 122.820 0.009 0.000 2.316 75 A HA 0.618 4.930 4.320 -0.014 0.000 0.284 75 A C 0.629 178.229 177.584 0.026 0.000 1.115 75 A CA -0.080 51.966 52.037 0.014 0.000 0.812 75 A CB 0.548 19.561 19.000 0.021 0.000 1.064 75 A HN 0.267 nan 8.150 nan 0.000 0.489 76 G N 1.012 109.820 108.800 0.014 0.000 2.503 76 G HA2 0.450 4.402 3.960 -0.014 0.000 0.257 76 G HA3 0.450 4.402 3.960 -0.014 0.000 0.257 76 G C -1.703 173.205 174.900 0.013 0.000 1.214 76 G CA -1.051 44.059 45.100 0.016 0.000 0.839 76 G HN 0.454 nan 8.290 nan 0.000 0.559 77 P HA -0.137 nan 4.420 nan 0.000 0.216 77 P C 2.197 179.493 177.300 -0.007 0.000 1.150 77 P CA 1.767 64.867 63.100 0.001 0.000 0.837 77 P CB 0.271 31.974 31.700 0.005 0.000 0.786 78 S N -0.766 114.933 115.700 -0.002 0.000 2.555 78 S HA -0.077 4.384 4.470 -0.014 0.000 0.230 78 S C 1.480 176.077 174.600 -0.005 0.000 0.978 78 S CA 0.646 58.844 58.200 -0.003 0.000 0.934 78 S CB -0.899 62.300 63.200 -0.000 0.000 0.766 78 S HN 0.222 nan 8.310 nan 0.000 0.533 79 E N 0.898 121.095 120.200 -0.005 0.000 2.489 79 E HA 0.088 4.430 4.350 -0.014 0.000 0.193 79 E C -0.601 175.994 176.600 -0.008 0.000 1.057 79 E CA 0.005 56.402 56.400 -0.005 0.000 0.866 79 E CB 0.020 29.718 29.700 -0.003 0.000 0.916 79 E HN 0.788 nan 8.360 nan 0.000 0.500 80 N N 0.677 119.369 118.700 -0.014 0.000 2.229 80 N HA 0.075 4.807 4.740 -0.014 0.000 0.298 80 N C -1.199 174.300 175.510 -0.018 0.000 1.114 80 N CA -0.913 52.126 53.050 -0.018 0.000 0.776 80 N CB 1.057 39.526 38.487 -0.029 0.000 1.501 80 N HN -0.181 nan 8.380 nan 0.000 0.474 81 D N 1.398 121.791 120.400 -0.012 0.000 2.363 81 D HA 0.129 4.760 4.640 -0.014 0.000 0.263 81 D C -1.515 174.775 176.300 -0.016 0.000 1.258 81 D CA -1.692 52.304 54.000 -0.008 0.000 0.907 81 D CB 0.701 41.503 40.800 0.002 0.000 1.107 81 D HN 0.323 nan 8.370 nan 0.000 0.495 82 P HA -0.221 nan 4.420 nan 0.000 0.220 82 P C 0.525 177.798 177.300 -0.045 0.000 1.155 82 P CA 1.260 64.336 63.100 -0.039 0.000 0.880 82 P CB 0.105 31.793 31.700 -0.021 0.000 0.790 83 N N -1.304 117.398 118.700 0.004 0.000 2.461 83 N HA 0.025 4.757 4.740 -0.014 0.000 0.188 83 N C 0.581 176.181 175.510 0.150 0.000 1.134 83 N CA 0.158 53.245 53.050 0.063 0.000 0.878 83 N CB -0.233 38.297 38.487 0.071 0.000 0.972 83 N HN 0.206 nan 8.380 nan 0.000 0.456 84 L N 0.336 121.609 121.223 0.084 0.000 2.421 84 L HA 0.378 4.710 4.340 -0.014 0.000 0.263 84 L C -0.449 176.506 176.870 0.141 0.000 1.122 84 L CA -0.168 54.764 54.840 0.153 0.000 0.804 84 L CB 0.470 42.564 42.059 0.059 0.000 1.150 84 L HN -0.187 nan 8.230 nan 0.000 0.457 85 F N 1.708 121.639 119.950 -0.032 0.000 2.598 85 F HA 0.706 5.224 4.527 -0.014 0.000 0.327 85 F C -0.240 175.538 175.800 -0.038 0.000 1.057 85 F CA -0.757 57.223 58.000 -0.033 0.000 0.957 85 F CB 1.924 40.908 39.000 -0.027 0.000 1.278 85 F HN 0.165 nan 8.300 nan 0.000 0.484 86 V N 1.261 121.255 119.914 0.133 0.000 2.789 86 V HA 0.845 4.957 4.120 -0.014 0.000 0.311 86 V C -0.926 175.202 176.094 0.058 0.000 1.073 86 V CA -0.861 61.470 62.300 0.052 0.000 0.921 86 V CB 1.658 33.463 31.823 -0.030 0.000 1.009 86 V HN 0.982 nan 8.190 nan 0.000 0.426 87 A N 5.791 128.638 122.820 0.045 0.000 2.450 87 A HA 0.504 4.816 4.320 -0.014 0.000 0.255 87 A C 0.634 178.201 177.584 -0.029 0.000 1.096 87 A CA -0.060 52.009 52.037 0.053 0.000 0.778 87 A CB 0.278 19.323 19.000 0.075 0.000 1.031 87 A HN 1.015 nan 8.150 nan 0.000 0.494 88 L N 1.261 122.456 121.223 -0.046 0.000 2.416 88 L HA 0.170 4.501 4.340 -0.014 0.000 0.216 88 L C -0.426 176.058 176.870 -0.644 0.000 1.098 88 L CA 0.632 55.275 54.840 -0.328 0.000 0.840 88 L CB -0.163 41.722 42.059 -0.289 0.000 0.981 88 L HN 0.766 nan 8.230 nan 0.000 0.462 89 Y N -1.906 118.331 120.300 -0.106 0.000 2.597 89 Y HA 0.317 4.858 4.550 -0.014 0.000 0.340 89 Y C -0.506 175.432 175.900 0.064 0.000 1.097 89 Y CA -1.818 56.215 58.100 -0.112 0.000 1.037 89 Y CB 0.790 39.025 38.460 -0.376 0.000 1.305 89 Y HN -0.205 nan 8.280 nan 0.000 0.463 90 D N 1.358 121.907 120.400 0.248 0.000 2.345 90 D HA 0.217 4.849 4.640 -0.014 0.000 0.247 90 D C -1.207 175.326 176.300 0.389 0.000 1.108 90 D CA 0.471 54.615 54.000 0.239 0.000 0.894 90 D CB 1.082 41.968 40.800 0.143 0.000 1.203 90 D HN 0.362 nan 8.370 nan 0.000 0.430 91 F N 1.803 121.862 119.950 0.181 0.000 2.557 91 F HA 0.342 4.862 4.527 -0.013 0.000 0.316 91 F C -1.350 174.488 175.800 0.063 0.000 1.141 91 F CA -0.791 57.290 58.000 0.134 0.000 0.922 91 F CB 1.265 40.300 39.000 0.058 0.000 1.194 91 F HN 0.021 nan 8.300 nan 0.000 0.443 92 V N 6.072 125.493 119.914 -0.822 0.000 2.394 92 V HA 0.640 4.751 4.120 -0.014 0.000 0.282 92 V C 0.437 175.892 176.094 -1.065 0.000 1.031 92 V CA -0.759 61.150 62.300 -0.653 0.000 0.881 92 V CB 1.034 32.663 31.823 -0.323 0.000 0.982 92 V HN 1.066 nan 8.190 nan 0.000 0.451 93 A N 4.089 126.573 122.820 -0.561 0.000 2.598 93 A HA 0.213 4.525 4.320 -0.014 0.000 0.239 93 A C 1.194 178.632 177.584 -0.242 0.000 1.032 93 A CA 0.840 52.720 52.037 -0.261 0.000 0.760 93 A CB 0.028 19.029 19.000 0.002 0.000 0.946 93 A HN 1.344 nan 8.150 nan 0.000 0.512 94 S N 1.370 116.989 115.700 -0.135 0.000 2.603 94 S HA 0.526 4.987 4.470 -0.014 0.000 0.232 94 S C 0.581 174.997 174.600 -0.306 0.000 1.016 94 S CA 0.247 58.189 58.200 -0.430 0.000 0.976 94 S CB 0.143 63.222 63.200 -0.201 0.000 0.921 94 S HN 1.868 nan 8.310 nan 0.000 0.516 95 G N 0.256 109.058 108.800 0.003 0.000 2.720 95 G HA2 0.482 4.434 3.960 -0.014 0.000 0.295 95 G HA3 0.482 4.434 3.960 -0.014 0.000 0.295 95 G C -0.873 174.075 174.900 0.080 0.000 1.437 95 G CA -0.647 44.470 45.100 0.028 0.000 0.886 95 G HN -0.061 nan 8.290 nan 0.000 0.509 96 D N 0.338 120.777 120.400 0.065 0.000 2.190 96 D HA -0.130 4.502 4.640 -0.014 0.000 0.200 96 D C 1.977 178.319 176.300 0.070 0.000 0.992 96 D CA 1.746 55.780 54.000 0.057 0.000 0.854 96 D CB 0.241 41.062 40.800 0.035 0.000 0.936 96 D HN 0.504 nan 8.370 nan 0.000 0.462 97 N N 0.020 118.763 118.700 0.072 0.000 2.268 97 N HA -0.049 4.682 4.740 -0.014 0.000 0.204 97 N C -0.151 175.515 175.510 0.261 0.000 1.124 97 N CA 0.033 53.175 53.050 0.153 0.000 0.838 97 N CB -0.395 38.191 38.487 0.165 0.000 0.994 97 N HN 0.105 nan 8.380 nan 0.000 0.489 98 T N -1.574 113.104 114.554 0.208 0.000 2.934 98 T HA 0.553 4.894 4.350 -0.014 0.000 0.283 98 T C -0.303 174.578 174.700 0.301 0.000 1.005 98 T CA -0.963 61.337 62.100 0.334 0.000 1.041 98 T CB 1.654 70.775 68.868 0.422 0.000 1.042 98 T HN 0.076 nan 8.240 nan 0.000 0.505 99 L N 1.888 123.324 121.223 0.355 0.000 2.333 99 L HA 0.596 4.928 4.340 -0.014 0.000 0.280 99 L C -0.152 176.919 176.870 0.336 0.000 1.004 99 L CA -0.253 54.735 54.840 0.247 0.000 0.820 99 L CB 1.968 44.104 42.059 0.127 0.000 1.247 99 L HN 0.844 nan 8.230 nan 0.000 0.416 100 S N 6.128 121.945 115.700 0.196 0.000 2.531 100 S HA 0.599 5.061 4.470 -0.014 0.000 0.279 100 S C -0.097 174.604 174.600 0.168 0.000 1.305 100 S CA -0.242 58.049 58.200 0.151 0.000 1.058 100 S CB -0.057 63.159 63.200 0.027 0.000 0.899 100 S HN 0.589 nan 8.310 nan 0.000 0.493 101 I N -0.202 120.501 120.570 0.222 0.000 3.042 101 I HA 0.715 4.876 4.170 -0.014 0.000 0.310 101 I C -0.628 175.581 176.117 0.152 0.000 1.117 101 I CA -0.787 60.614 61.300 0.168 0.000 1.003 101 I CB 2.474 40.580 38.000 0.176 0.000 1.228 101 I HN 0.278 nan 8.210 nan 0.000 0.443 102 T N 1.924 116.542 114.554 0.106 0.000 2.856 102 T HA 0.300 4.642 4.350 -0.014 0.000 0.283 102 T C -0.428 174.312 174.700 0.067 0.000 1.008 102 T CA -0.664 61.487 62.100 0.085 0.000 0.997 102 T CB 1.606 70.508 68.868 0.056 0.000 0.992 102 T HN 0.657 nan 8.240 nan 0.000 0.454 103 K N 1.198 121.628 120.400 0.051 0.000 2.530 103 K HA 0.209 4.521 4.320 -0.014 0.000 0.280 103 K C 1.318 177.911 176.600 -0.011 0.000 1.004 103 K CA 1.432 57.717 56.287 -0.004 0.000 1.071 103 K CB -0.355 32.118 32.500 -0.045 0.000 0.876 103 K HN 0.925 nan 8.250 nan 0.000 0.487 104 G N 2.658 111.441 108.800 -0.028 0.000 2.217 104 G HA2 -0.315 3.636 3.960 -0.014 0.000 0.246 104 G HA3 -0.315 3.636 3.960 -0.014 0.000 0.246 104 G C 0.005 174.905 174.900 -0.001 0.000 0.990 104 G CA 0.372 45.459 45.100 -0.021 0.000 0.627 104 G HN 0.733 nan 8.290 nan 0.000 0.522 105 E N 1.241 121.451 120.200 0.016 0.000 2.373 105 E HA 0.463 4.805 4.350 -0.014 0.000 0.267 105 E C 0.377 176.994 176.600 0.029 0.000 1.032 105 E CA -0.313 56.102 56.400 0.025 0.000 0.889 105 E CB 0.347 30.070 29.700 0.038 0.000 0.984 105 E HN 0.339 nan 8.360 nan 0.000 0.425 106 K N 3.277 123.693 120.400 0.026 0.000 2.118 106 K HA 0.409 4.721 4.320 -0.014 0.000 0.267 106 K C -0.912 175.710 176.600 0.037 0.000 0.991 106 K CA -0.600 55.708 56.287 0.035 0.000 0.916 106 K CB 0.761 33.275 32.500 0.024 0.000 1.041 106 K HN 0.311 nan 8.250 nan 0.000 0.455 107 L N 0.377 121.634 121.223 0.057 0.000 2.479 107 L HA 0.545 4.876 4.340 -0.014 0.000 0.255 107 L C -0.639 176.250 176.870 0.031 0.000 1.026 107 L CA -0.899 53.953 54.840 0.020 0.000 0.842 107 L CB 1.319 43.369 42.059 -0.015 0.000 1.444 107 L HN 0.474 nan 8.230 nan 0.000 0.409 108 R N 0.333 120.810 120.500 -0.038 0.000 2.437 108 R HA 0.813 5.145 4.340 -0.014 0.000 0.310 108 R C -1.638 174.554 176.300 -0.181 0.000 0.955 108 R CA -0.606 55.466 56.100 -0.047 0.000 0.851 108 R CB 1.829 32.105 30.300 -0.040 0.000 1.161 108 R HN 0.527 nan 8.270 nan 0.000 0.446 109 V N 6.978 126.733 119.914 -0.266 0.000 2.432 109 V HA 0.162 4.273 4.120 -0.014 0.000 0.275 109 V C 1.053 176.964 176.094 -0.305 0.000 1.043 109 V CA -0.235 61.797 62.300 -0.446 0.000 0.925 109 V CB 1.545 32.886 31.823 -0.803 0.000 0.985 109 V HN 0.833 nan 8.190 nan 0.000 0.466 110 L N 3.976 124.993 121.223 -0.342 0.000 2.357 110 L HA 0.548 4.880 4.340 -0.014 0.000 0.211 110 L C 1.055 177.787 176.870 -0.229 0.000 1.075 110 L CA 0.815 55.506 54.840 -0.249 0.000 0.830 110 L CB 0.019 41.923 42.059 -0.259 0.000 0.996 110 L HN 0.814 nan 8.230 nan 0.000 0.467 111 G N -1.864 106.717 108.800 -0.363 0.000 2.328 111 G HA2 0.357 4.309 3.960 -0.014 0.000 0.295 111 G HA3 0.357 4.309 3.960 -0.014 0.000 0.295 111 G C -2.148 172.547 174.900 -0.341 0.000 1.413 111 G CA -0.658 44.310 45.100 -0.221 0.000 0.817 111 G HN -0.212 nan 8.290 nan 0.000 0.546 112 Y N 0.637 121.016 120.300 0.131 0.000 2.567 112 Y HA 0.538 5.079 4.550 -0.014 0.000 0.333 112 Y C 1.009 177.156 175.900 0.413 0.000 1.106 112 Y CA -0.775 57.490 58.100 0.275 0.000 1.157 112 Y CB 1.622 40.174 38.460 0.154 0.000 1.277 112 Y HN 0.763 nan 8.280 nan 0.000 0.490 113 N N 0.590 119.620 118.700 0.550 0.000 2.374 113 N HA -0.062 4.669 4.740 -0.014 0.000 0.284 113 N C 1.039 176.651 175.510 0.170 0.000 1.280 113 N CA 0.101 53.272 53.050 0.201 0.000 0.963 113 N CB -0.211 38.169 38.487 -0.178 0.000 1.141 113 N HN 0.898 nan 8.380 nan 0.000 0.565 114 H N -0.675 118.435 119.070 0.067 0.000 2.422 114 H HA -0.114 4.434 4.556 -0.014 0.000 0.298 114 H C 0.193 175.595 175.328 0.123 0.000 1.098 114 H CA 1.938 58.045 56.048 0.099 0.000 1.315 114 H CB -0.623 29.210 29.762 0.118 0.000 1.382 114 H HN 0.715 nan 8.280 nan 0.000 0.523 115 N N -0.579 117.883 118.700 -0.398 0.000 2.203 115 N HA 0.139 4.871 4.740 -0.014 0.000 0.207 115 N C 1.405 176.894 175.510 -0.034 0.000 1.130 115 N CA 0.430 53.384 53.050 -0.161 0.000 0.861 115 N CB 0.326 38.692 38.487 -0.202 0.000 1.005 115 N HN 0.499 nan 8.380 nan 0.000 0.507 116 G N 0.386 109.205 108.800 0.033 0.000 2.189 116 G HA2 -0.382 3.570 3.960 -0.014 0.000 0.267 116 G HA3 -0.382 3.570 3.960 -0.014 0.000 0.267 116 G C 0.721 175.713 174.900 0.154 0.000 0.975 116 G CA 0.674 45.832 45.100 0.096 0.000 0.644 116 G HN 0.492 nan 8.290 nan 0.000 0.537 117 E N -1.650 118.634 120.200 0.140 0.000 2.285 117 E HA 0.115 4.456 4.350 -0.014 0.000 0.194 117 E C 0.588 177.219 176.600 0.052 0.000 0.997 117 E CA 0.537 56.999 56.400 0.103 0.000 0.845 117 E CB 0.153 29.935 29.700 0.137 0.000 0.782 117 E HN 0.670 nan 8.360 nan 0.000 0.491 118 W N -0.095 121.244 121.300 0.064 0.000 2.882 118 W HA 0.408 5.059 4.660 -0.015 0.000 0.345 118 W C -0.604 176.100 176.519 0.310 0.000 1.125 118 W CA -0.936 56.474 57.345 0.109 0.000 1.167 118 W CB 1.179 30.655 29.460 0.027 0.000 1.431 118 W HN -0.109 nan 8.180 nan 0.000 0.543 119 C N -0.458 119.113 119.300 0.452 0.000 2.888 119 C HA 0.678 5.129 4.460 -0.014 0.000 0.308 119 C C -0.563 174.233 174.990 -0.322 0.000 1.213 119 C CA -0.989 58.003 59.018 -0.043 0.000 1.461 119 C CB 1.351 28.668 27.740 -0.704 0.000 1.934 119 C HN 0.791 nan 8.230 nan 0.000 0.474 120 E N 1.521 121.132 120.200 -0.982 0.000 2.229 120 E HA 0.597 4.938 4.350 -0.014 0.000 0.283 120 E C -0.013 176.192 176.600 -0.659 0.000 1.030 120 E CA -0.001 55.664 56.400 -1.225 0.000 0.836 120 E CB 1.076 29.823 29.700 -1.588 0.000 1.068 120 E HN 1.042 nan 8.360 nan 0.000 0.401 121 A N 4.315 126.854 122.820 -0.467 0.000 2.430 121 A HA 0.505 4.817 4.320 -0.014 0.000 0.300 121 A C -1.087 176.366 177.584 -0.218 0.000 1.124 121 A CA -0.715 51.130 52.037 -0.319 0.000 0.766 121 A CB 1.685 20.532 19.000 -0.256 0.000 1.328 121 A HN 0.678 nan 8.150 nan 0.000 0.424 122 Q N 0.398 120.102 119.800 -0.160 0.000 2.321 122 Q HA 0.576 4.908 4.340 -0.014 0.000 0.270 122 Q C -0.585 175.378 176.000 -0.061 0.000 1.032 122 Q CA -0.604 55.137 55.803 -0.103 0.000 0.784 122 Q CB 2.331 31.013 28.738 -0.093 0.000 1.264 122 Q HN 0.933 nan 8.270 nan 0.000 0.448 123 T N -2.113 112.418 114.554 -0.037 0.000 2.742 123 T HA 0.386 4.728 4.350 -0.014 0.000 0.282 123 T C 0.714 175.408 174.700 -0.009 0.000 1.025 123 T CA -0.816 61.276 62.100 -0.014 0.000 1.020 123 T CB 1.196 70.065 68.868 0.002 0.000 1.317 123 T HN 0.215 nan 8.240 nan 0.000 0.538 124 K N 0.484 120.884 120.400 -0.000 0.000 2.362 124 K HA 0.086 4.397 4.320 -0.014 0.000 0.200 124 K C 1.428 178.029 176.600 0.001 0.000 1.046 124 K CA 0.663 56.950 56.287 -0.000 0.000 0.952 124 K CB -0.473 32.030 32.500 0.004 0.000 0.753 124 K HN 0.486 nan 8.250 nan 0.000 0.466 125 N N -0.069 118.634 118.700 0.005 0.000 2.422 125 N HA 0.005 4.737 4.740 -0.014 0.000 0.181 125 N C 0.925 176.437 175.510 0.004 0.000 1.080 125 N CA 0.794 53.849 53.050 0.008 0.000 0.893 125 N CB 1.014 39.512 38.487 0.017 0.000 0.973 125 N HN 0.235 nan 8.380 nan 0.000 0.456 126 G N -0.066 108.731 108.800 -0.005 0.000 2.350 126 G HA2 0.026 3.977 3.960 -0.014 0.000 0.276 126 G HA3 0.026 3.977 3.960 -0.014 0.000 0.276 126 G C -1.989 172.892 174.900 -0.032 0.000 1.313 126 G CA -0.751 44.341 45.100 -0.013 0.000 0.903 126 G HN 0.103 nan 8.290 nan 0.000 0.490 127 Q N -0.420 119.354 119.800 -0.043 0.000 2.356 127 Q HA 0.655 4.987 4.340 -0.014 0.000 0.270 127 Q C -0.103 175.845 176.000 -0.087 0.000 1.058 127 Q CA -0.103 55.647 55.803 -0.088 0.000 0.802 127 Q CB 1.921 30.597 28.738 -0.103 0.000 1.303 127 Q HN 1.889 nan 8.270 nan 0.000 0.444 128 G N 1.773 110.484 108.800 -0.149 0.000 2.342 128 G HA2 0.279 4.231 3.960 -0.014 0.000 0.297 128 G HA3 0.279 4.231 3.960 -0.014 0.000 0.297 128 G C -2.276 172.500 174.900 -0.206 0.000 1.313 128 G CA -0.971 44.061 45.100 -0.114 0.000 0.830 128 G HN 0.544 nan 8.290 nan 0.000 0.506 129 W N 0.310 121.629 121.300 0.033 0.000 2.376 129 W HA 0.597 5.248 4.660 -0.014 0.000 0.322 129 W C 0.468 177.082 176.519 0.160 0.000 1.160 129 W CA -0.204 57.186 57.345 0.075 0.000 1.218 129 W CB 1.808 31.278 29.460 0.018 0.000 1.205 129 W HN 0.556 nan 8.180 nan 0.000 0.559 130 V N 0.793 120.883 119.914 0.293 0.000 3.114 130 V HA 0.661 4.772 4.120 -0.014 0.000 0.308 130 V C -2.897 172.915 176.094 -0.471 0.000 1.168 130 V CA -3.589 58.569 62.300 -0.237 0.000 1.015 130 V CB 1.850 33.523 31.823 -0.250 0.000 1.050 130 V HN 0.269 nan 8.190 nan 0.000 0.433 131 P HA 0.270 nan 4.420 nan 0.000 0.267 131 P C 0.772 177.788 177.300 -0.473 0.000 1.205 131 P CA 0.362 62.744 63.100 -1.198 0.000 0.765 131 P CB 1.043 31.766 31.700 -1.629 0.000 0.828 132 S N 2.457 117.999 115.700 -0.263 0.000 2.383 132 S HA -0.161 4.300 4.470 -0.014 0.000 0.229 132 S C 1.288 175.925 174.600 0.061 0.000 1.030 132 S CA 1.629 59.831 58.200 0.004 0.000 1.002 132 S CB -0.775 62.528 63.200 0.172 0.000 0.829 132 S HN 0.663 nan 8.310 nan 0.000 0.467 133 N N -0.137 118.580 118.700 0.028 0.000 2.313 133 N HA 0.035 4.767 4.740 -0.014 0.000 0.207 133 N C 0.128 175.746 175.510 0.180 0.000 1.141 133 N CA 0.094 53.200 53.050 0.092 0.000 0.830 133 N CB -0.453 38.052 38.487 0.031 0.000 1.008 133 N HN 0.298 nan 8.380 nan 0.000 0.481 134 Y N 0.625 120.882 120.300 -0.072 0.000 2.449 134 Y HA 0.412 4.953 4.550 -0.015 0.000 0.254 134 Y C 0.811 176.771 175.900 0.100 0.000 1.140 134 Y CA -0.874 57.242 58.100 0.026 0.000 1.272 134 Y CB 0.382 38.774 38.460 -0.114 0.000 1.114 134 Y HN 0.176 nan 8.280 nan 0.000 0.525 135 I N -3.606 117.091 120.570 0.212 0.000 3.002 135 I HA 0.804 4.965 4.170 -0.014 0.000 0.310 135 I C -0.516 175.756 176.117 0.258 0.000 1.087 135 I CA -0.822 60.601 61.300 0.206 0.000 1.017 135 I CB 2.596 40.710 38.000 0.191 0.000 1.226 135 I HN -0.287 nan 8.210 nan 0.000 0.443 136 T N 2.198 116.900 114.554 0.247 0.000 2.889 136 T HA 0.529 4.871 4.350 -0.014 0.000 0.315 136 T C -2.912 171.637 174.700 -0.252 0.000 1.291 136 T CA -1.266 60.881 62.100 0.078 0.000 1.028 136 T CB 2.160 71.006 68.868 -0.037 0.000 1.235 136 T HN 0.502 nan 8.240 nan 0.000 0.491 137 P HA 0.078 nan 4.420 nan 0.000 0.267 137 P C 0.993 178.031 177.300 -0.435 0.000 1.200 137 P CA -0.135 62.428 63.100 -0.895 0.000 0.772 137 P CB 0.451 31.754 31.700 -0.662 0.000 0.855 138 V N 2.880 122.588 119.914 -0.342 0.000 2.324 138 V HA -0.269 3.843 4.120 -0.014 0.000 0.250 138 V C 1.219 177.189 176.094 -0.208 0.000 1.060 138 V CA 2.164 64.341 62.300 -0.206 0.000 1.042 138 V CB -1.223 30.522 31.823 -0.129 0.000 0.650 138 V HN 0.628 nan 8.190 nan 0.000 0.450 139 N N 0.198 118.780 118.700 -0.197 0.000 2.313 139 N HA 0.059 4.790 4.740 -0.014 0.000 0.207 139 N C 0.376 175.776 175.510 -0.183 0.000 1.141 139 N CA 0.132 53.085 53.050 -0.160 0.000 0.830 139 N CB 0.149 38.572 38.487 -0.107 0.000 1.008 139 N HN 0.574 nan 8.380 nan 0.000 0.481 140 S N -0.608 114.948 115.700 -0.240 0.000 2.652 140 S HA 0.279 4.740 4.470 -0.014 0.000 0.270 140 S C 1.129 175.541 174.600 -0.314 0.000 1.243 140 S CA -0.813 57.245 58.200 -0.238 0.000 0.999 140 S CB 1.172 64.236 63.200 -0.226 0.000 0.973 140 S HN 0.092 nan 8.310 nan 0.000 0.544 141 L N 0.359 121.373 121.223 -0.348 0.000 2.201 141 L HA -0.053 4.279 4.340 -0.014 0.000 0.212 141 L C 2.265 178.808 176.870 -0.545 0.000 1.105 141 L CA 1.082 55.627 54.840 -0.492 0.000 0.775 141 L CB -0.702 40.832 42.059 -0.876 0.000 0.913 141 L HN 0.671 nan 8.230 nan 0.000 0.440 142 E N 0.730 120.705 120.200 -0.374 0.000 2.265 142 E HA -0.229 4.112 4.350 -0.014 0.000 0.196 142 E C 1.944 178.396 176.600 -0.247 0.000 0.996 142 E CA 1.045 57.346 56.400 -0.165 0.000 0.832 142 E CB -0.202 29.456 29.700 -0.071 0.000 0.756 142 E HN 0.537 nan 8.360 nan 0.000 0.491 143 K N -0.081 120.094 120.400 -0.376 0.000 2.283 143 K HA -0.084 4.228 4.320 -0.014 0.000 0.202 143 K C 0.290 176.635 176.600 -0.424 0.000 1.048 143 K CA 0.862 56.919 56.287 -0.384 0.000 0.948 143 K CB -0.131 32.125 32.500 -0.407 0.000 0.742 143 K HN 0.117 nan 8.250 nan 0.000 0.458 144 H N 1.855 120.677 119.070 -0.413 0.000 2.848 144 H HA 0.009 4.556 4.556 -0.014 0.000 0.317 144 H C 1.135 176.093 175.328 -0.617 0.000 1.046 144 H CA 0.441 56.096 56.048 -0.656 0.000 1.470 144 H CB 1.559 30.471 29.762 -1.416 0.000 1.483 144 H HN 0.373 nan 8.280 nan 0.000 0.548 145 S N 3.185 118.683 115.700 -0.337 0.000 2.440 145 S HA -0.143 4.319 4.470 -0.014 0.000 0.238 145 S C 1.642 176.068 174.600 -0.291 0.000 1.010 145 S CA 0.835 58.856 58.200 -0.299 0.000 0.972 145 S CB -0.236 62.833 63.200 -0.220 0.000 0.774 145 S HN 0.849 nan 8.310 nan 0.000 0.501 146 W N -0.651 120.544 121.300 -0.174 0.000 3.114 146 W HA 0.376 5.027 4.660 -0.014 0.000 0.279 146 W C 0.189 176.712 176.519 0.006 0.000 1.277 146 W CA -0.932 56.218 57.345 -0.324 0.000 1.630 146 W CB -0.601 28.454 29.460 -0.676 0.000 1.087 146 W HN 0.210 nan 8.180 nan 0.000 0.637 147 Y N 2.962 123.191 120.300 -0.118 0.000 2.504 147 Y HA 0.178 4.720 4.550 -0.014 0.000 0.351 147 Y C 1.210 177.184 175.900 0.125 0.000 0.988 147 Y CA 0.205 58.334 58.100 0.048 0.000 1.239 147 Y CB -0.021 38.321 38.460 -0.197 0.000 1.128 147 Y HN 0.008 nan 8.280 nan 0.000 0.525 148 H N 4.464 123.341 119.070 -0.322 0.000 2.529 148 H HA 0.183 4.731 4.556 -0.014 0.000 0.277 148 H C 1.449 176.634 175.328 -0.239 0.000 1.004 148 H CA -0.007 55.915 56.048 -0.209 0.000 1.167 148 H CB 0.353 30.028 29.762 -0.145 0.000 1.445 148 H HN 1.038 nan 8.280 nan 0.000 0.554 149 G N 2.443 110.971 108.800 -0.454 0.000 2.566 149 G HA2 -0.284 3.667 3.960 -0.014 0.000 0.280 149 G HA3 -0.284 3.667 3.960 -0.014 0.000 0.280 149 G C -2.171 172.663 174.900 -0.110 0.000 1.225 149 G CA -0.456 44.507 45.100 -0.229 0.000 0.966 149 G HN 0.218 nan 8.290 nan 0.000 0.560 150 P HA 0.470 nan 4.420 nan 0.000 0.268 150 P C -0.633 176.691 177.300 0.041 0.000 1.282 150 P CA 0.257 63.376 63.100 0.032 0.000 0.880 150 P CB 0.879 32.615 31.700 0.059 0.000 0.971 151 V N 3.394 123.328 119.914 0.033 0.000 2.760 151 V HA 0.260 4.372 4.120 -0.014 0.000 0.309 151 V C 0.626 176.750 176.094 0.049 0.000 1.077 151 V CA -0.572 61.763 62.300 0.058 0.000 0.910 151 V CB 2.297 34.155 31.823 0.058 0.000 1.008 151 V HN 0.609 nan 8.190 nan 0.000 0.424 152 S N 4.659 120.399 115.700 0.067 0.000 2.624 152 S HA 0.346 4.808 4.470 -0.014 0.000 0.263 152 S C 1.146 175.758 174.600 0.021 0.000 1.287 152 S CA -0.128 58.098 58.200 0.043 0.000 0.990 152 S CB 1.111 64.343 63.200 0.054 0.000 0.950 152 S HN 0.772 nan 8.310 nan 0.000 0.561 153 R N 0.966 121.445 120.500 -0.035 0.000 2.083 153 R HA -0.151 4.180 4.340 -0.014 0.000 0.237 153 R C 1.503 177.776 176.300 -0.045 0.000 1.137 153 R CA 1.987 58.003 56.100 -0.141 0.000 0.951 153 R CB -0.623 29.518 30.300 -0.264 0.000 0.851 153 R HN 0.766 nan 8.270 nan 0.000 0.434 154 N N 0.655 119.361 118.700 0.010 0.000 2.142 154 N HA -0.134 4.598 4.740 -0.014 0.000 0.186 154 N C 1.676 177.232 175.510 0.077 0.000 1.023 154 N CA 1.486 54.566 53.050 0.050 0.000 0.852 154 N CB -0.522 38.014 38.487 0.081 0.000 0.998 154 N HN 0.306 nan 8.380 nan 0.000 0.424 155 A N 1.203 124.086 122.820 0.106 0.000 1.908 155 A HA 0.003 4.315 4.320 -0.014 0.000 0.218 155 A C 2.396 180.016 177.584 0.060 0.000 1.181 155 A CA 1.985 54.094 52.037 0.121 0.000 0.627 155 A CB -0.871 18.238 19.000 0.183 0.000 0.818 155 A HN 0.325 nan 8.150 nan 0.000 0.445 156 A N -0.059 122.799 122.820 0.063 0.000 1.908 156 A HA -0.202 4.110 4.320 -0.014 0.000 0.218 156 A C 1.918 179.516 177.584 0.023 0.000 1.181 156 A CA 1.640 53.703 52.037 0.044 0.000 0.627 156 A CB -0.561 18.513 19.000 0.123 0.000 0.818 156 A HN 0.628 nan 8.150 nan 0.000 0.445 157 E N -1.654 118.588 120.200 0.071 0.000 2.153 157 E HA -0.220 4.121 4.350 -0.014 0.000 0.194 157 E C 1.851 178.411 176.600 -0.066 0.000 0.988 157 E CA 1.497 57.908 56.400 0.018 0.000 0.811 157 E CB -0.316 29.409 29.700 0.041 0.000 0.746 157 E HN 0.837 nan 8.360 nan 0.000 0.466 158 Y N 1.461 121.653 120.300 -0.180 0.000 2.184 158 Y HA -0.114 4.427 4.550 -0.015 0.000 0.290 158 Y C 2.044 177.797 175.900 -0.244 0.000 1.129 158 Y CA 1.108 59.027 58.100 -0.300 0.000 1.144 158 Y CB -0.305 37.762 38.460 -0.656 0.000 0.995 158 Y HN -0.098 nan 8.280 nan 0.000 0.513 159 L N -0.166 120.842 121.223 -0.359 0.000 2.191 159 L HA -0.175 4.156 4.340 -0.014 0.000 0.212 159 L C 1.314 178.016 176.870 -0.279 0.000 1.103 159 L CA 1.021 55.672 54.840 -0.315 0.000 0.769 159 L CB -0.285 41.716 42.059 -0.097 0.000 0.908 159 L HN 0.266 nan 8.230 nan 0.000 0.438 160 L N -1.137 119.949 121.223 -0.228 0.000 2.965 160 L HA 0.110 4.441 4.340 -0.014 0.000 0.254 160 L C 1.802 178.580 176.870 -0.153 0.000 1.220 160 L CA -0.085 54.662 54.840 -0.155 0.000 1.023 160 L CB 0.187 42.184 42.059 -0.103 0.000 1.355 160 L HN 0.135 nan 8.230 nan 0.000 0.545 161 S N -1.756 113.801 115.700 -0.239 0.000 2.607 161 S HA 0.070 4.531 4.470 -0.014 0.000 0.224 161 S C 0.730 175.245 174.600 -0.140 0.000 0.969 161 S CA 0.084 58.171 58.200 -0.188 0.000 0.927 161 S CB -0.146 62.912 63.200 -0.236 0.000 0.772 161 S HN 0.398 nan 8.310 nan 0.000 0.533 162 S N -1.176 114.444 115.700 -0.133 0.000 2.596 162 S HA 0.838 5.300 4.470 -0.014 0.000 0.270 162 S C -0.176 174.405 174.600 -0.032 0.000 1.155 162 S CA -0.391 57.765 58.200 -0.073 0.000 0.827 162 S CB 1.265 64.422 63.200 -0.072 0.000 1.130 162 S HN 1.619 nan 8.310 nan 0.000 0.467 163 G N 0.340 109.141 108.800 0.001 0.000 2.440 163 G HA2 0.255 4.207 3.960 -0.014 0.000 0.684 163 G HA3 0.255 4.207 3.960 -0.014 0.000 0.684 163 G C -0.622 174.308 174.900 0.050 0.000 1.309 163 G CA -0.586 44.542 45.100 0.046 0.000 0.931 163 G HN 1.840 nan 8.290 nan 0.000 0.612 164 I N -1.195 119.417 120.570 0.070 0.000 3.079 164 I HA 0.516 4.678 4.170 -0.014 0.000 0.295 164 I C 0.404 176.593 176.117 0.120 0.000 1.094 164 I CA -1.038 60.302 61.300 0.068 0.000 1.295 164 I CB 0.507 38.541 38.000 0.056 0.000 1.443 164 I HN 0.428 nan 8.210 nan 0.000 0.607 165 N N 2.335 121.092 118.700 0.095 0.000 2.412 165 N HA 0.189 4.921 4.740 -0.014 0.000 0.254 165 N C 0.921 176.568 175.510 0.228 0.000 1.232 165 N CA 1.280 54.426 53.050 0.161 0.000 0.880 165 N CB 0.868 39.446 38.487 0.150 0.000 1.076 165 N HN 1.059 nan 8.380 nan 0.000 0.458 166 G N 0.321 109.278 108.800 0.262 0.000 2.175 166 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.244 166 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.244 166 G C -0.005 175.114 174.900 0.365 0.000 0.982 166 G CA 0.137 45.404 45.100 0.278 0.000 0.641 166 G HN 0.573 nan 8.290 nan 0.000 0.527 167 S N 0.615 116.503 115.700 0.314 0.000 2.549 167 S HA 0.657 5.118 4.470 -0.014 0.000 0.283 167 S C -0.134 174.608 174.600 0.237 0.000 1.320 167 S CA 0.728 59.085 58.200 0.262 0.000 1.058 167 S CB 0.506 63.815 63.200 0.183 0.000 0.882 167 S HN 1.431 nan 8.310 nan 0.000 0.498 168 F N 1.036 120.919 119.950 -0.111 0.000 2.779 168 F HA 0.827 5.346 4.527 -0.014 0.000 0.316 168 F C -1.828 173.843 175.800 -0.215 0.000 1.164 168 F CA -1.659 56.255 58.000 -0.144 0.000 0.924 168 F CB 0.739 39.657 39.000 -0.137 0.000 1.348 168 F HN 0.469 nan 8.300 nan 0.000 0.467 169 L N -0.298 120.764 121.223 -0.268 0.000 2.710 169 L HA 0.887 5.218 4.340 -0.014 0.000 0.260 169 L C -2.076 174.776 176.870 -0.030 0.000 0.993 169 L CA -1.058 53.536 54.840 -0.410 0.000 0.877 169 L CB 1.619 43.186 42.059 -0.820 0.000 1.461 169 L HN 0.639 nan 8.230 nan 0.000 0.413 170 V N 1.576 121.531 119.914 0.069 0.000 2.459 170 V HA 0.807 4.919 4.120 -0.014 0.000 0.295 170 V C -0.254 175.772 176.094 -0.114 0.000 1.029 170 V CA -0.379 61.996 62.300 0.126 0.000 0.874 170 V CB 1.632 33.706 31.823 0.419 0.000 0.985 170 V HN 0.981 nan 8.190 nan 0.000 0.438 171 R N 3.016 123.464 120.500 -0.087 0.000 2.807 171 R HA 0.790 5.122 4.340 -0.014 0.000 0.276 171 R C -0.816 175.440 176.300 -0.074 0.000 0.979 171 R CA -0.836 55.177 56.100 -0.145 0.000 0.928 171 R CB 2.668 32.934 30.300 -0.058 0.000 1.191 171 R HN 0.665 nan 8.270 nan 0.000 0.471 172 E N 0.957 121.114 120.200 -0.072 0.000 2.264 172 E HA 0.234 4.575 4.350 -0.014 0.000 0.260 172 E C -1.190 175.430 176.600 0.034 0.000 0.961 172 E CA -0.857 55.560 56.400 0.028 0.000 0.834 172 E CB 2.165 31.919 29.700 0.090 0.000 1.230 172 E HN 0.529 nan 8.360 nan 0.000 0.412 173 S N 1.311 117.041 115.700 0.050 0.000 2.422 173 S HA 0.079 4.541 4.470 -0.014 0.000 0.308 173 S C 0.562 175.195 174.600 0.055 0.000 1.097 173 S CA -0.425 57.802 58.200 0.045 0.000 1.099 173 S CB 1.241 64.464 63.200 0.038 0.000 0.976 173 S HN 0.645 nan 8.310 nan 0.000 0.471 174 E N 4.154 124.389 120.200 0.059 0.000 2.106 174 E HA -0.074 4.268 4.350 -0.014 0.000 0.192 174 E C 1.685 178.321 176.600 0.060 0.000 0.984 174 E CA 1.921 58.360 56.400 0.065 0.000 0.806 174 E CB -0.228 29.518 29.700 0.076 0.000 0.750 174 E HN 0.656 nan 8.360 nan 0.000 0.458 175 S N -0.374 115.359 115.700 0.056 0.000 2.354 175 S HA -0.059 4.402 4.470 -0.014 0.000 0.219 175 S C 0.882 175.507 174.600 0.041 0.000 1.035 175 S CA 1.290 59.519 58.200 0.047 0.000 1.037 175 S CB -0.171 63.052 63.200 0.038 0.000 0.956 175 S HN 0.135 nan 8.310 nan 0.000 0.428 176 S N 2.945 118.667 115.700 0.038 0.000 2.665 176 S HA 0.399 4.861 4.470 -0.014 0.000 0.230 176 S C -2.627 172.000 174.600 0.044 0.000 1.326 176 S CA -1.145 57.076 58.200 0.036 0.000 1.055 176 S CB 0.904 64.121 63.200 0.029 0.000 1.178 176 S HN 0.169 nan 8.310 nan 0.000 0.489 177 P HA 0.115 nan 4.420 nan 0.000 0.266 177 P C 1.229 178.566 177.300 0.062 0.000 1.186 177 P CA 1.217 64.353 63.100 0.060 0.000 0.767 177 P CB 0.316 32.050 31.700 0.056 0.000 0.820 178 G N 0.731 109.578 108.800 0.078 0.000 2.579 178 G HA2 -0.221 3.730 3.960 -0.014 0.000 0.222 178 G HA3 -0.221 3.730 3.960 -0.014 0.000 0.222 178 G C -0.080 174.869 174.900 0.081 0.000 1.201 178 G CA -0.399 44.749 45.100 0.079 0.000 0.710 178 G HN 0.558 nan 8.290 nan 0.000 0.516 179 Q N 2.274 122.112 119.800 0.064 0.000 2.262 179 Q HA 0.395 4.727 4.340 -0.014 0.000 0.272 179 Q C 0.758 176.799 176.000 0.067 0.000 1.076 179 Q CA 0.672 56.508 55.803 0.054 0.000 0.905 179 Q CB 0.496 29.256 28.738 0.038 0.000 1.182 179 Q HN 0.650 nan 8.270 nan 0.000 0.390 180 R N 0.836 121.382 120.500 0.077 0.000 2.873 180 R HA 0.719 5.051 4.340 -0.014 0.000 0.264 180 R C -0.385 175.962 176.300 0.078 0.000 1.026 180 R CA -0.670 55.486 56.100 0.093 0.000 1.002 180 R CB 1.708 32.101 30.300 0.155 0.000 1.174 180 R HN 0.459 nan 8.270 nan 0.000 0.488 181 S N 0.448 116.198 115.700 0.084 0.000 2.618 181 S HA 0.549 5.010 4.470 -0.014 0.000 0.277 181 S C -0.784 173.888 174.600 0.120 0.000 1.138 181 S CA -0.711 57.549 58.200 0.100 0.000 0.844 181 S CB 1.753 65.011 63.200 0.097 0.000 1.127 181 S HN 0.378 nan 8.310 nan 0.000 0.474 182 I N 1.800 122.464 120.570 0.158 0.000 2.378 182 I HA 0.412 4.574 4.170 -0.014 0.000 0.291 182 I C -0.448 175.792 176.117 0.205 0.000 0.992 182 I CA -0.249 61.151 61.300 0.166 0.000 1.154 182 I CB 1.887 39.953 38.000 0.109 0.000 1.315 182 I HN 0.413 nan 8.210 nan 0.000 0.448 183 S N 6.717 122.498 115.700 0.136 0.000 2.454 183 S HA 0.680 5.142 4.470 -0.014 0.000 0.306 183 S C -0.836 173.803 174.600 0.066 0.000 1.100 183 S CA -0.469 57.747 58.200 0.027 0.000 1.087 183 S CB 1.678 64.884 63.200 0.010 0.000 1.019 183 S HN 0.371 nan 8.310 nan 0.000 0.480 184 L N 3.196 124.460 121.223 0.069 0.000 2.401 184 L HA 0.623 4.954 4.340 -0.014 0.000 0.266 184 L C -0.573 176.406 176.870 0.182 0.000 0.991 184 L CA -0.568 54.370 54.840 0.164 0.000 0.818 184 L CB 1.793 43.977 42.059 0.209 0.000 1.321 184 L HN 0.659 nan 8.230 nan 0.000 0.413 185 R N 3.299 123.910 120.500 0.184 0.000 2.294 185 R HA 0.499 4.831 4.340 -0.014 0.000 0.319 185 R C -2.104 174.378 176.300 0.303 0.000 0.984 185 R CA -0.455 55.763 56.100 0.196 0.000 0.861 185 R CB 0.965 31.329 30.300 0.106 0.000 1.104 185 R HN 0.710 nan 8.270 nan 0.000 0.451 186 Y N 3.240 123.653 120.300 0.189 0.000 2.401 186 Y HA 0.148 4.690 4.550 -0.014 0.000 0.330 186 Y C -0.906 175.087 175.900 0.154 0.000 1.071 186 Y CA -0.910 57.268 58.100 0.130 0.000 1.049 186 Y CB 1.447 39.922 38.460 0.024 0.000 1.239 186 Y HN 0.803 nan 8.280 nan 0.000 0.437 187 E N 4.273 124.140 120.200 -0.555 0.000 2.199 187 E HA -0.240 4.102 4.350 -0.014 0.000 0.208 187 E C 1.132 177.653 176.600 -0.132 0.000 1.310 187 E CA 1.610 57.769 56.400 -0.401 0.000 0.709 187 E CB -1.355 28.032 29.700 -0.523 0.000 1.127 187 E HN 1.304 nan 8.360 nan 0.000 0.354 188 G N -0.219 108.534 108.800 -0.078 0.000 2.184 188 G HA2 -0.382 3.570 3.960 -0.014 0.000 0.264 188 G HA3 -0.382 3.570 3.960 -0.014 0.000 0.264 188 G C 0.381 175.260 174.900 -0.035 0.000 0.975 188 G CA 0.848 45.919 45.100 -0.048 0.000 0.642 188 G HN 0.381 nan 8.290 nan 0.000 0.536 189 R N -0.882 119.623 120.500 0.009 0.000 2.803 189 R HA 0.654 4.986 4.340 -0.014 0.000 0.276 189 R C -0.634 175.620 176.300 -0.077 0.000 0.978 189 R CA -0.846 55.203 56.100 -0.085 0.000 0.939 189 R CB 2.461 32.646 30.300 -0.192 0.000 1.179 189 R HN 0.067 nan 8.270 nan 0.000 0.472 190 V N 2.799 122.561 119.914 -0.254 0.000 2.427 190 V HA 0.371 4.482 4.120 -0.014 0.000 0.286 190 V C -1.038 174.734 176.094 -0.535 0.000 1.034 190 V CA -0.583 61.567 62.300 -0.250 0.000 0.893 190 V CB 0.960 32.644 31.823 -0.232 0.000 0.982 190 V HN 0.554 nan 8.190 nan 0.000 0.452 191 Y N 2.967 123.068 120.300 -0.331 0.000 2.429 191 Y HA 0.610 5.152 4.550 -0.014 0.000 0.342 191 Y C 0.330 175.817 175.900 -0.688 0.000 1.004 191 Y CA -0.765 57.084 58.100 -0.419 0.000 1.075 191 Y CB 1.601 39.928 38.460 -0.222 0.000 1.214 191 Y HN 0.566 nan 8.280 nan 0.000 0.455 192 H N 2.594 121.458 119.070 -0.342 0.000 2.495 192 H HA 0.393 4.940 4.556 -0.014 0.000 0.348 192 H C -1.575 173.458 175.328 -0.491 0.000 1.113 192 H CA -0.892 54.995 56.048 -0.267 0.000 1.195 192 H CB 1.714 31.392 29.762 -0.142 0.000 1.521 192 H HN 0.661 nan 8.280 nan 0.000 0.509 193 Y N 0.799 121.167 120.300 0.114 0.000 2.373 193 Y HA 0.228 4.770 4.550 -0.014 0.000 0.336 193 Y C 0.403 176.318 175.900 0.024 0.000 0.979 193 Y CA -0.988 57.139 58.100 0.044 0.000 1.080 193 Y CB 1.661 40.106 38.460 -0.026 0.000 1.190 193 Y HN 0.431 nan 8.280 nan 0.000 0.446 194 R N 2.995 123.583 120.500 0.147 0.000 2.389 194 R HA 0.425 4.756 4.340 -0.014 0.000 0.295 194 R C -1.166 175.148 176.300 0.024 0.000 1.075 194 R CA 0.049 56.190 56.100 0.067 0.000 1.005 194 R CB 0.047 30.367 30.300 0.033 0.000 0.987 194 R HN 0.737 nan 8.270 nan 0.000 0.452 195 I N 5.206 125.778 120.570 0.003 0.000 2.312 195 I HA 0.162 4.323 4.170 -0.014 0.000 0.291 195 I C 0.064 176.097 176.117 -0.140 0.000 1.031 195 I CA -0.403 60.865 61.300 -0.053 0.000 1.293 195 I CB 0.813 38.824 38.000 0.019 0.000 1.403 195 I HN 0.587 nan 8.210 nan 0.000 0.484 196 N N 4.618 123.097 118.700 -0.369 0.000 2.515 196 N HA 0.346 5.078 4.740 -0.014 0.000 0.279 196 N C -0.475 174.796 175.510 -0.398 0.000 1.164 196 N CA -0.252 52.511 53.050 -0.479 0.000 0.982 196 N CB 1.620 39.591 38.487 -0.860 0.000 1.170 196 N HN 0.427 nan 8.380 nan 0.000 0.474 197 T N 0.602 115.072 114.554 -0.140 0.000 2.786 197 T HA 0.502 4.843 4.350 -0.014 0.000 0.283 197 T C 0.329 175.118 174.700 0.148 0.000 0.992 197 T CA -0.620 61.497 62.100 0.028 0.000 0.954 197 T CB 1.404 70.297 68.868 0.042 0.000 0.934 197 T HN 0.577 nan 8.240 nan 0.000 0.440 198 A N 2.213 125.189 122.820 0.261 0.000 2.310 198 A HA 0.458 4.769 4.320 -0.014 0.000 0.260 198 A C 1.800 179.455 177.584 0.118 0.000 1.112 198 A CA 0.025 52.202 52.037 0.233 0.000 0.804 198 A CB -0.101 19.004 19.000 0.175 0.000 1.081 198 A HN 0.957 nan 8.150 nan 0.000 0.499 199 S N -0.385 115.363 115.700 0.081 0.000 2.447 199 S HA -0.139 4.323 4.470 -0.014 0.000 0.233 199 S C 0.744 175.370 174.600 0.043 0.000 1.006 199 S CA 1.372 59.603 58.200 0.053 0.000 0.957 199 S CB -0.333 62.889 63.200 0.035 0.000 0.773 199 S HN 0.816 nan 8.310 nan 0.000 0.507 200 D N -0.222 120.204 120.400 0.043 0.000 2.368 200 D HA 0.298 4.930 4.640 -0.014 0.000 0.218 200 D C 1.335 177.663 176.300 0.047 0.000 1.112 200 D CA 0.398 54.418 54.000 0.034 0.000 0.834 200 D CB -0.324 40.486 40.800 0.017 0.000 0.953 200 D HN 0.516 nan 8.370 nan 0.000 0.505 201 G N 0.602 109.441 108.800 0.065 0.000 2.225 201 G HA2 -0.318 3.633 3.960 -0.014 0.000 0.254 201 G HA3 -0.318 3.633 3.960 -0.014 0.000 0.254 201 G C 0.266 175.224 174.900 0.098 0.000 0.988 201 G CA 0.117 45.262 45.100 0.075 0.000 0.625 201 G HN 0.452 nan 8.290 nan 0.000 0.527 202 K N 0.594 121.056 120.400 0.104 0.000 2.436 202 K HA 0.393 4.705 4.320 -0.014 0.000 0.275 202 K C 0.320 177.050 176.600 0.217 0.000 0.999 202 K CA -0.188 56.178 56.287 0.131 0.000 0.980 202 K CB 0.588 33.131 32.500 0.072 0.000 0.919 202 K HN 0.077 nan 8.250 nan 0.000 0.484 203 L N 3.395 124.755 121.223 0.228 0.000 2.343 203 L HA 0.490 4.821 4.340 -0.014 0.000 0.275 203 L C -0.333 176.748 176.870 0.352 0.000 1.056 203 L CA -0.465 54.507 54.840 0.218 0.000 0.804 203 L CB 0.210 42.379 42.059 0.184 0.000 1.203 203 L HN 0.684 nan 8.230 nan 0.000 0.440 204 Y N -0.542 119.842 120.300 0.141 0.000 2.662 204 Y HA 0.538 5.080 4.550 -0.014 0.000 0.334 204 Y C -0.545 175.431 175.900 0.127 0.000 1.185 204 Y CA -1.022 57.176 58.100 0.163 0.000 1.074 204 Y CB 0.537 39.048 38.460 0.085 0.000 1.330 204 Y HN 0.073 nan 8.280 nan 0.000 0.458 205 V N 0.146 120.220 119.914 0.266 0.000 2.743 205 V HA 0.147 4.258 4.120 -0.014 0.000 0.237 205 V C 0.398 176.651 176.094 0.265 0.000 1.113 205 V CA 0.960 63.318 62.300 0.097 0.000 1.141 205 V CB 0.384 32.135 31.823 -0.120 0.000 0.873 205 V HN 0.751 nan 8.190 nan 0.000 0.486 206 S N 0.616 116.520 115.700 0.339 0.000 2.452 206 S HA 0.191 4.652 4.470 -0.014 0.000 0.284 206 S C 1.243 175.991 174.600 0.247 0.000 1.171 206 S CA 0.239 58.600 58.200 0.268 0.000 1.064 206 S CB 1.391 64.719 63.200 0.214 0.000 0.967 206 S HN 0.394 nan 8.310 nan 0.000 0.484 207 S N 2.676 118.456 115.700 0.133 0.000 2.423 207 S HA -0.183 4.278 4.470 -0.014 0.000 0.238 207 S C 1.188 175.603 174.600 -0.309 0.000 1.028 207 S CA 1.534 59.577 58.200 -0.261 0.000 1.000 207 S CB -0.159 62.964 63.200 -0.127 0.000 0.797 207 S HN 0.702 nan 8.310 nan 0.000 0.487 208 E N 0.771 120.890 120.200 -0.134 0.000 2.489 208 E HA 0.211 4.552 4.350 -0.014 0.000 0.193 208 E C -0.143 176.351 176.600 -0.176 0.000 1.057 208 E CA 0.027 56.341 56.400 -0.143 0.000 0.866 208 E CB 0.471 30.127 29.700 -0.073 0.000 0.916 208 E HN 0.235 nan 8.360 nan 0.000 0.500 209 S N 1.105 116.706 115.700 -0.165 0.000 2.524 209 S HA 0.415 4.877 4.470 -0.014 0.000 0.227 209 S C -0.421 173.962 174.600 -0.362 0.000 1.304 209 S CA -0.877 57.150 58.200 -0.287 0.000 1.185 209 S CB 0.714 63.858 63.200 -0.095 0.000 1.104 209 S HN 0.053 nan 8.310 nan 0.000 0.475 210 R N 1.535 121.645 120.500 -0.650 0.000 2.664 210 R HA 0.752 5.084 4.340 -0.014 0.000 0.286 210 R C -1.283 174.455 176.300 -0.937 0.000 0.967 210 R CA -0.562 55.258 56.100 -0.467 0.000 0.933 210 R CB 1.244 31.388 30.300 -0.261 0.000 1.146 210 R HN 0.388 nan 8.270 nan 0.000 0.468 211 F N -0.145 119.837 119.950 0.052 0.000 2.613 211 F HA 0.322 4.841 4.527 -0.014 0.000 0.314 211 F C 1.091 176.926 175.800 0.058 0.000 1.075 211 F CA -1.047 56.973 58.000 0.033 0.000 0.945 211 F CB 1.429 40.450 39.000 0.035 0.000 1.310 211 F HN 0.361 nan 8.300 nan 0.000 0.467 212 N N -0.324 118.502 118.700 0.211 0.000 2.270 212 N HA -0.038 4.694 4.740 -0.014 0.000 0.181 212 N C 0.501 176.104 175.510 0.155 0.000 1.016 212 N CA 1.132 54.267 53.050 0.142 0.000 0.870 212 N CB -0.136 38.411 38.487 0.100 0.000 0.979 212 N HN 0.733 nan 8.380 nan 0.000 0.431 213 T N -2.850 111.814 114.554 0.185 0.000 2.924 213 T HA 0.401 4.742 4.350 -0.014 0.000 0.291 213 T C 1.151 175.961 174.700 0.183 0.000 1.045 213 T CA -0.815 61.384 62.100 0.164 0.000 1.015 213 T CB 1.803 70.755 68.868 0.140 0.000 1.103 213 T HN -0.122 nan 8.240 nan 0.000 0.496 214 L N 0.979 122.318 121.223 0.194 0.000 2.093 214 L HA 0.042 4.374 4.340 -0.014 0.000 0.208 214 L C 2.899 179.870 176.870 0.168 0.000 1.085 214 L CA 1.794 56.764 54.840 0.216 0.000 0.755 214 L CB -0.867 41.382 42.059 0.317 0.000 0.904 214 L HN 0.998 nan 8.230 nan 0.000 0.435 215 A N -0.440 122.514 122.820 0.222 0.000 1.933 215 A HA -0.242 4.070 4.320 -0.014 0.000 0.218 215 A C 2.024 179.632 177.584 0.040 0.000 1.175 215 A CA 1.683 53.828 52.037 0.179 0.000 0.628 215 A CB -0.395 18.732 19.000 0.212 0.000 0.814 215 A HN 0.530 nan 8.150 nan 0.000 0.444 216 E N -0.935 119.274 120.200 0.014 0.000 2.107 216 E HA -0.123 4.219 4.350 -0.014 0.000 0.191 216 E C 1.911 178.261 176.600 -0.417 0.000 0.982 216 E CA 0.957 57.283 56.400 -0.124 0.000 0.809 216 E CB -0.173 29.520 29.700 -0.010 0.000 0.756 216 E HN 0.522 nan 8.360 nan 0.000 0.459 217 L N 0.554 121.627 121.223 -0.251 0.000 2.056 217 L HA -0.141 4.191 4.340 -0.014 0.000 0.207 217 L C 2.168 178.943 176.870 -0.158 0.000 1.078 217 L CA 1.338 56.046 54.840 -0.220 0.000 0.749 217 L CB -0.292 41.840 42.059 0.123 0.000 0.901 217 L HN -0.065 nan 8.230 nan 0.000 0.433 218 V N -0.130 119.660 119.914 -0.207 0.000 2.343 218 V HA -0.331 3.781 4.120 -0.014 0.000 0.247 218 V C 2.645 178.596 176.094 -0.238 0.000 1.051 218 V CA 2.036 64.131 62.300 -0.341 0.000 1.036 218 V CB -1.026 30.355 31.823 -0.737 0.000 0.654 218 V HN 0.685 nan 8.190 nan 0.000 0.451 219 H N -0.159 118.767 119.070 -0.241 0.000 2.319 219 H HA -0.271 4.276 4.556 -0.014 0.000 0.299 219 H C 2.440 177.615 175.328 -0.255 0.000 1.092 219 H CA 2.602 58.523 56.048 -0.212 0.000 1.302 219 H CB -0.229 29.420 29.762 -0.188 0.000 1.373 219 H HN 0.631 nan 8.280 nan 0.000 0.497 220 H N 0.421 119.227 119.070 -0.441 0.000 2.289 220 H HA -0.160 4.388 4.556 -0.014 0.000 0.296 220 H C 1.950 176.961 175.328 -0.529 0.000 1.091 220 H CA 2.330 58.057 56.048 -0.535 0.000 1.274 220 H CB -0.582 28.682 29.762 -0.831 0.000 1.364 220 H HN 0.424 nan 8.280 nan 0.000 0.490 221 H N -0.596 118.179 119.070 -0.491 0.000 2.563 221 H HA 0.037 4.584 4.556 -0.014 0.000 0.272 221 H C 1.919 176.971 175.328 -0.461 0.000 1.005 221 H CA 0.973 56.714 56.048 -0.512 0.000 1.171 221 H CB 0.066 29.584 29.762 -0.406 0.000 1.351 221 H HN 0.560 nan 8.280 nan 0.000 0.602 222 S N -0.484 114.995 115.700 -0.368 0.000 2.503 222 S HA -0.070 4.392 4.470 -0.014 0.000 0.217 222 S C 2.084 176.515 174.600 -0.281 0.000 0.999 222 S CA 0.649 58.691 58.200 -0.264 0.000 0.914 222 S CB -0.029 63.068 63.200 -0.172 0.000 0.782 222 S HN 0.449 nan 8.310 nan 0.000 0.520 223 T N 0.241 114.555 114.554 -0.400 0.000 3.033 223 T HA 0.326 4.667 4.350 -0.014 0.000 0.248 223 T C 0.506 175.035 174.700 -0.284 0.000 1.040 223 T CA 0.579 62.484 62.100 -0.324 0.000 1.133 223 T CB -0.443 68.223 68.868 -0.337 0.000 0.895 223 T HN 0.734 nan 8.240 nan 0.000 0.465 224 V N -1.613 118.065 119.914 -0.394 0.000 2.808 224 V HA 0.919 5.031 4.120 -0.014 0.000 0.308 224 V C 1.216 177.116 176.094 -0.323 0.000 1.099 224 V CA -0.937 61.169 62.300 -0.325 0.000 0.920 224 V CB 0.918 32.561 31.823 -0.300 0.000 1.014 224 V HN 0.221 nan 8.190 nan 0.000 0.425 225 A N 2.151 124.845 122.820 -0.209 0.000 1.865 225 A HA -0.079 4.232 4.320 -0.014 0.000 0.217 225 A C 1.318 178.868 177.584 -0.056 0.000 1.191 225 A CA 1.890 53.829 52.037 -0.163 0.000 0.623 225 A CB -0.912 17.970 19.000 -0.197 0.000 0.826 225 A HN 1.968 nan 8.150 nan 0.000 0.444 226 D N -2.435 117.922 120.400 -0.073 0.000 2.810 226 D HA -0.022 4.610 4.640 -0.014 0.000 0.224 226 D C 0.845 177.196 176.300 0.085 0.000 1.222 226 D CA 2.026 56.037 54.000 0.019 0.000 0.698 226 D CB -1.324 39.501 40.800 0.042 0.000 0.961 226 D HN 1.411 nan 8.370 nan 0.000 0.403 227 G N -0.853 107.934 108.800 -0.023 0.000 2.436 227 G HA2 -0.218 3.734 3.960 -0.014 0.000 0.204 227 G HA3 -0.218 3.734 3.960 -0.014 0.000 0.204 227 G C 0.473 175.242 174.900 -0.217 0.000 1.026 227 G CA -0.058 45.007 45.100 -0.059 0.000 0.658 227 G HN 0.524 nan 8.290 nan 0.000 0.499 228 L N 0.862 121.859 121.223 -0.377 0.000 2.456 228 L HA 0.529 4.861 4.340 -0.014 0.000 0.257 228 L C 2.001 178.657 176.870 -0.356 0.000 1.162 228 L CA -0.505 53.956 54.840 -0.632 0.000 0.808 228 L CB 0.523 42.155 42.059 -0.711 0.000 1.136 228 L HN 0.138 nan 8.230 nan 0.000 0.466 229 I N -0.463 119.914 120.570 -0.322 0.000 2.493 229 I HA -0.105 4.056 4.170 -0.014 0.000 0.254 229 I C 0.910 176.661 176.117 -0.610 0.000 1.160 229 I CA 1.442 62.465 61.300 -0.462 0.000 1.445 229 I CB 0.150 37.683 38.000 -0.779 0.000 1.086 229 I HN 0.750 nan 8.210 nan 0.000 0.433 230 T N -2.300 111.944 114.554 -0.517 0.000 2.661 230 T HA 0.368 4.710 4.350 -0.014 0.000 0.305 230 T C -0.470 174.044 174.700 -0.309 0.000 1.441 230 T CA -0.071 61.739 62.100 -0.484 0.000 0.999 230 T CB 0.458 68.926 68.868 -0.666 0.000 1.650 230 T HN 0.189 nan 8.240 nan 0.000 0.489 231 T N 0.814 115.231 114.554 -0.227 0.000 2.849 231 T HA 0.656 4.997 4.350 -0.014 0.000 0.284 231 T C 0.156 174.747 174.700 -0.181 0.000 1.004 231 T CA -0.791 61.192 62.100 -0.196 0.000 1.021 231 T CB 0.173 68.954 68.868 -0.144 0.000 1.013 231 T HN 0.512 nan 8.240 nan 0.000 0.527 232 L N 2.251 123.298 121.223 -0.294 0.000 2.261 232 L HA 0.323 4.655 4.340 -0.014 0.000 0.289 232 L C 0.968 177.810 176.870 -0.048 0.000 1.059 232 L CA -0.547 53.969 54.840 -0.540 0.000 0.816 232 L CB 0.379 41.687 42.059 -1.250 0.000 1.191 232 L HN 0.883 nan 8.230 nan 0.000 0.431 233 H N 3.154 122.301 119.070 0.128 0.000 2.481 233 H HA 0.114 4.662 4.556 -0.014 0.000 0.291 233 H C -0.939 174.706 175.328 0.528 0.000 1.009 233 H CA 0.400 56.643 56.048 0.326 0.000 1.282 233 H CB 0.662 30.558 29.762 0.223 0.000 1.457 233 H HN 0.474 nan 8.280 nan 0.000 0.525 234 Y N 1.222 121.583 120.300 0.102 0.000 2.331 234 Y HA 0.430 4.971 4.550 -0.015 0.000 0.326 234 Y C -3.023 172.676 175.900 -0.334 0.000 1.020 234 Y CA -3.473 54.529 58.100 -0.163 0.000 1.136 234 Y CB 1.563 39.949 38.460 -0.125 0.000 1.157 234 Y HN 0.006 nan 8.280 nan 0.000 0.444 235 P HA 0.176 nan 4.420 nan 0.000 0.267 235 P C -0.863 175.788 177.300 -1.081 0.000 1.209 235 P CA 0.307 62.660 63.100 -1.244 0.000 0.763 235 P CB 0.660 31.768 31.700 -0.987 0.000 0.816 236 A N 6.433 128.833 122.820 -0.700 0.000 2.477 236 A HA 0.329 4.640 4.320 -0.014 0.000 0.246 236 A C -2.041 175.421 177.584 -0.204 0.000 1.078 236 A CA -1.090 50.709 52.037 -0.396 0.000 0.770 236 A CB -1.054 17.788 19.000 -0.262 0.000 1.011 236 A HN 0.403 nan 8.150 nan 0.000 0.494 237 P HA 0.048 nan 4.420 nan 0.000 0.267 237 P C -0.375 176.893 177.300 -0.054 0.000 1.200 237 P CA 0.054 63.096 63.100 -0.097 0.000 0.772 237 P CB 0.400 32.093 31.700 -0.012 0.000 0.855 238 K N 3.503 123.799 120.400 -0.174 0.000 2.326 238 K HA 0.038 4.349 4.320 -0.014 0.000 0.275 238 K C 1.776 178.363 176.600 -0.023 0.000 1.018 238 K CA 0.145 56.291 56.287 -0.234 0.000 0.962 238 K CB 0.453 32.808 32.500 -0.242 0.000 0.953 238 K HN 0.535 nan 8.250 nan 0.000 0.475 239 R N 1.560 122.077 120.500 0.027 0.000 2.148 239 R HA -0.234 4.098 4.340 -0.014 0.000 0.230 239 R C 0.572 176.920 176.300 0.080 0.000 1.120 239 R CA 1.424 57.582 56.100 0.098 0.000 0.902 239 R CB -0.318 30.066 30.300 0.141 0.000 0.839 239 R HN 0.689 nan 8.270 nan 0.000 0.431 240 N N -1.278 117.447 118.700 0.042 0.000 3.322 240 N HA 0.134 4.866 4.740 -0.014 0.000 0.233 240 N C -2.027 173.341 175.510 -0.238 0.000 1.399 240 N CA -0.710 52.332 53.050 -0.013 0.000 0.894 240 N CB 1.166 39.650 38.487 -0.005 0.000 1.440 240 N HN 0.215 nan 8.380 nan 0.000 0.503 241 K N 1.221 121.382 120.400 -0.399 0.000 2.524 241 K HA 0.162 4.474 4.320 -0.014 0.000 0.279 241 K C -2.242 173.987 176.600 -0.620 0.000 0.993 241 K CA -0.636 55.075 56.287 -0.959 0.000 1.030 241 K CB -0.176 31.994 32.500 -0.550 0.000 0.891 241 K HN 0.400 nan 8.250 nan 0.000 0.488 242 P HA -0.013 nan 4.420 nan 0.000 0.271 242 P C -0.584 176.593 177.300 -0.205 0.000 1.233 242 P CA -0.133 62.755 63.100 -0.353 0.000 0.789 242 P CB 0.485 32.000 31.700 -0.308 0.000 0.951 243 T N 1.042 115.432 114.554 -0.273 0.000 2.884 243 T HA 0.212 4.553 4.350 -0.014 0.000 0.298 243 T C -0.031 174.331 174.700 -0.563 0.000 0.998 243 T CA -0.167 61.729 62.100 -0.340 0.000 1.124 243 T CB 0.060 68.714 68.868 -0.357 0.000 0.931 243 T HN 0.016 nan 8.240 nan 0.000 0.531 244 V N 4.768 124.443 119.914 -0.399 0.000 2.383 244 V HA 0.213 4.325 4.120 -0.014 0.000 0.275 244 V C -0.398 175.538 176.094 -0.262 0.000 1.036 244 V CA -0.782 61.256 62.300 -0.436 0.000 0.889 244 V CB 0.286 31.901 31.823 -0.346 0.000 0.985 244 V HN 0.858 nan 8.190 nan 0.000 0.459 245 Y N 4.635 124.954 120.300 0.033 0.000 2.623 245 Y HA 0.526 5.067 4.550 -0.014 0.000 0.341 245 Y C 1.243 177.273 175.900 0.216 0.000 1.292 245 Y CA 0.661 58.845 58.100 0.140 0.000 1.840 245 Y CB 0.076 38.615 38.460 0.132 0.000 1.865 245 Y HN 0.984 nan 8.280 nan 0.000 0.440 246 G N -0.410 108.578 108.800 0.312 0.000 2.331 246 G HA2 -0.023 3.929 3.960 -0.014 0.000 0.479 246 G HA3 -0.023 3.929 3.960 -0.014 0.000 0.479 246 G C -0.230 174.773 174.900 0.171 0.000 1.262 246 G CA -0.383 44.807 45.100 0.151 0.000 1.029 246 G HN 0.674 nan 8.290 nan 0.000 0.487 247 V N -3.738 116.201 119.914 0.043 0.000 3.398 247 V HA 0.729 4.840 4.120 -0.014 0.000 0.298 247 V C 0.549 176.561 176.094 -0.137 0.000 1.496 247 V CA 1.240 63.575 62.300 0.059 0.000 1.044 247 V CB 0.457 32.224 31.823 -0.092 0.000 0.880 247 V HN 1.825 nan 8.190 nan 0.000 0.443 248 S N 1.516 116.978 115.700 -0.396 0.000 2.536 248 S HA 0.691 5.153 4.470 -0.014 0.000 0.287 248 S C -2.213 171.619 174.600 -1.280 0.000 1.101 248 S CA -0.981 56.744 58.200 -0.792 0.000 0.950 248 S CB 2.358 65.247 63.200 -0.518 0.000 1.056 248 S HN 0.208 nan 8.310 nan 0.000 0.481 249 P HA 0.077 nan 4.420 nan 0.000 0.245 249 P C -0.285 176.488 177.300 -0.879 0.000 1.206 249 P CA 0.163 62.213 63.100 -1.749 0.000 0.781 249 P CB -0.191 30.409 31.700 -1.834 0.000 0.994 250 N N -0.342 117.941 118.700 -0.696 0.000 2.445 250 N HA 0.112 4.844 4.740 -0.014 0.000 0.264 250 N C -0.463 174.879 175.510 -0.280 0.000 1.227 250 N CA -0.514 52.289 53.050 -0.410 0.000 0.963 250 N CB 0.031 38.300 38.487 -0.363 0.000 1.188 250 N HN -0.070 nan 8.380 nan 0.000 0.491 251 Y N 1.355 121.361 120.300 -0.491 0.000 2.569 251 Y HA -0.042 4.500 4.550 -0.014 0.000 0.332 251 Y C 0.171 175.892 175.900 -0.297 0.000 1.120 251 Y CA 0.008 57.760 58.100 -0.580 0.000 1.416 251 Y CB -0.239 37.873 38.460 -0.579 0.000 1.210 251 Y HN 0.692 nan 8.280 nan 0.000 0.528 252 D N 4.102 124.115 120.400 -0.646 0.000 2.886 252 D HA -0.224 4.408 4.640 -0.014 0.000 0.221 252 D C -0.934 175.217 176.300 -0.249 0.000 1.227 252 D CA 0.706 54.475 54.000 -0.384 0.000 0.746 252 D CB -0.215 40.405 40.800 -0.300 0.000 0.935 252 D HN 0.397 nan 8.370 nan 0.000 0.399 253 K N 1.927 122.068 120.400 -0.433 0.000 3.045 253 K HA 0.146 4.458 4.320 -0.014 0.000 0.214 253 K C 0.416 176.863 176.600 -0.254 0.000 1.213 253 K CA -0.358 55.770 56.287 -0.265 0.000 1.111 253 K CB -0.404 31.936 32.500 -0.267 0.000 1.454 253 K HN 0.497 nan 8.250 nan 0.000 0.498 254 W N 0.953 122.233 121.300 -0.033 0.000 2.494 254 W HA 0.038 4.688 4.660 -0.015 0.000 0.286 254 W C 0.959 177.477 176.519 -0.002 0.000 1.218 254 W CA -0.212 57.128 57.345 -0.008 0.000 1.313 254 W CB 0.257 29.697 29.460 -0.033 0.000 1.105 254 W HN 0.067 nan 8.180 nan 0.000 0.561 255 E N 1.358 121.675 120.200 0.194 0.000 2.502 255 E HA 0.071 4.413 4.350 -0.014 0.000 0.261 255 E C -0.032 176.619 176.600 0.085 0.000 0.974 255 E CA 0.649 57.108 56.400 0.099 0.000 0.936 255 E CB 0.316 30.049 29.700 0.055 0.000 0.926 255 E HN 0.140 nan 8.360 nan 0.000 0.459 256 M N -0.359 119.269 119.600 0.047 0.000 2.716 256 M HA 0.441 4.913 4.480 -0.014 0.000 0.278 256 M C -0.605 175.696 176.300 0.000 0.000 1.281 256 M CA -0.649 54.677 55.300 0.044 0.000 0.814 256 M CB 1.282 33.872 32.600 -0.017 0.000 1.719 256 M HN 0.019 nan 8.290 nan 0.000 0.457 257 E N 1.089 121.301 120.200 0.021 0.000 2.180 257 E HA 0.236 4.577 4.350 -0.014 0.000 0.283 257 E C 0.252 176.826 176.600 -0.042 0.000 1.061 257 E CA -0.252 56.148 56.400 -0.001 0.000 0.861 257 E CB 1.249 30.971 29.700 0.037 0.000 1.056 257 E HN 0.665 nan 8.360 nan 0.000 0.407 258 R N 2.223 122.672 120.500 -0.084 0.000 2.117 258 R HA -0.186 4.146 4.340 -0.014 0.000 0.243 258 R C 2.017 178.296 176.300 -0.034 0.000 1.143 258 R CA 2.228 58.257 56.100 -0.118 0.000 0.968 258 R CB -0.257 29.887 30.300 -0.260 0.000 0.863 258 R HN 0.635 nan 8.270 nan 0.000 0.444 259 T N -1.915 112.625 114.554 -0.023 0.000 2.929 259 T HA -0.086 4.256 4.350 -0.014 0.000 0.271 259 T C 1.010 175.727 174.700 0.029 0.000 1.085 259 T CA 1.379 63.482 62.100 0.004 0.000 1.125 259 T CB -0.201 68.669 68.868 0.004 0.000 0.874 259 T HN 0.201 nan 8.240 nan 0.000 0.494 260 D N 0.825 121.246 120.400 0.036 0.000 2.371 260 D HA 0.121 4.752 4.640 -0.014 0.000 0.221 260 D C 0.269 176.608 176.300 0.064 0.000 0.986 260 D CA 0.390 54.443 54.000 0.088 0.000 0.899 260 D CB -0.042 40.852 40.800 0.157 0.000 0.902 260 D HN 0.424 nan 8.370 nan 0.000 0.530 261 I N 0.634 121.214 120.570 0.017 0.000 2.404 261 I HA 0.170 4.332 4.170 -0.014 0.000 0.293 261 I C 0.175 176.318 176.117 0.042 0.000 0.992 261 I CA -0.290 61.020 61.300 0.016 0.000 1.149 261 I CB 1.690 39.696 38.000 0.010 0.000 1.315 261 I HN -0.363 nan 8.210 nan 0.000 0.446 262 T N 7.004 121.579 114.554 0.034 0.000 2.753 262 T HA 0.405 4.746 4.350 -0.014 0.000 0.297 262 T C 0.401 175.095 174.700 -0.009 0.000 0.981 262 T CA -0.534 61.578 62.100 0.021 0.000 0.956 262 T CB 0.468 69.354 68.868 0.031 0.000 0.936 262 T HN 0.244 nan 8.240 nan 0.000 0.463 263 M N 3.972 123.551 119.600 -0.035 0.000 2.211 263 M HA 0.393 4.865 4.480 -0.014 0.000 0.356 263 M C 0.551 176.838 176.300 -0.023 0.000 1.216 263 M CA 0.105 55.352 55.300 -0.088 0.000 1.134 263 M CB 0.659 33.137 32.600 -0.203 0.000 1.564 263 M HN 0.532 nan 8.290 nan 0.000 0.463 264 K N 1.244 121.658 120.400 0.023 0.000 1.841 264 K HA 0.414 4.726 4.320 -0.014 0.000 0.259 264 K C -0.044 176.678 176.600 0.203 0.000 0.999 264 K CA -0.832 55.525 56.287 0.117 0.000 1.053 264 K CB 0.253 32.847 32.500 0.157 0.000 2.249 264 K HN 0.705 nan 8.250 nan 0.000 0.894 265 H N 1.721 120.860 119.070 0.115 0.000 2.771 265 H HA 0.124 4.688 4.556 0.014 0.000 0.364 265 H C -0.420 174.982 175.328 0.125 0.000 1.133 265 H CA 0.049 56.172 56.048 0.125 0.000 1.423 265 H CB 0.420 30.221 29.762 0.065 0.000 1.425 265 H HN 0.331 nan 8.280 nan 0.000 0.606 266 K N 1.613 122.013 120.400 0.000 0.000 2.219 266 K HA 0.264 4.575 4.320 -0.014 0.000 0.258 266 K C -0.488 176.011 176.600 -0.168 0.000 1.008 266 K CA -0.487 55.605 56.287 -0.325 0.000 0.928 266 K CB 0.520 32.772 32.500 -0.413 0.000 0.983 266 K HN 0.554 nan 8.250 nan 0.000 0.484 267 L N 1.917 123.042 121.223 -0.163 0.000 2.322 267 L HA 0.329 4.661 4.340 -0.014 0.000 0.279 267 L C 0.785 177.722 176.870 0.112 0.000 1.036 267 L CA -0.090 54.751 54.840 0.002 0.000 0.807 267 L CB 1.688 43.754 42.059 0.012 0.000 1.226 267 L HN 1.060 nan 8.230 nan 0.000 0.433 268 G N 1.870 110.777 108.800 0.178 0.000 2.323 268 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.292 268 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.292 268 G C 0.890 175.818 174.900 0.047 0.000 1.040 268 G CA 0.505 45.731 45.100 0.210 0.000 0.942 268 G HN 1.345 nan 8.290 nan 0.000 0.506 269 G N -1.051 107.770 108.800 0.034 0.000 2.416 269 G HA2 0.186 4.138 3.960 -0.014 0.000 0.301 269 G HA3 0.186 4.138 3.960 -0.014 0.000 0.301 269 G C 2.161 177.028 174.900 -0.056 0.000 0.985 269 G CA 1.062 46.158 45.100 -0.008 0.000 0.934 269 G HN 2.607 nan 8.290 nan 0.000 0.513 270 G N -1.026 107.728 108.800 -0.077 0.000 2.184 270 G HA2 -0.334 3.618 3.960 -0.014 0.000 0.264 270 G HA3 -0.334 3.618 3.960 -0.014 0.000 0.264 270 G C 1.225 176.031 174.900 -0.157 0.000 0.975 270 G CA 1.263 46.295 45.100 -0.113 0.000 0.642 270 G HN 1.806 nan 8.290 nan 0.000 0.536 271 Q N -0.841 118.813 119.800 -0.244 0.000 2.437 271 Q HA 0.050 4.381 4.340 -0.014 0.000 0.210 271 Q C 1.659 177.306 176.000 -0.589 0.000 0.972 271 Q CA 1.499 57.051 55.803 -0.420 0.000 0.903 271 Q CB -0.247 28.171 28.738 -0.534 0.000 0.967 271 Q HN 0.678 nan 8.270 nan 0.000 0.486 272 Y N 0.049 120.244 120.300 -0.174 0.000 2.467 272 Y HA 0.408 4.948 4.550 -0.017 0.000 0.250 272 Y C 1.212 176.932 175.900 -0.300 0.000 1.155 272 Y CA -0.004 57.920 58.100 -0.293 0.000 1.249 272 Y CB 1.262 39.583 38.460 -0.233 0.000 1.146 272 Y HN 0.340 nan 8.280 nan 0.000 0.524 273 G N 0.582 109.316 108.800 -0.112 0.000 2.451 273 G HA2 -0.201 3.751 3.960 -0.014 0.000 0.208 273 G HA3 -0.201 3.751 3.960 -0.014 0.000 0.208 273 G C -0.671 174.184 174.900 -0.075 0.000 1.248 273 G CA -0.852 44.195 45.100 -0.087 0.000 0.989 273 G HN 0.039 nan 8.290 nan 0.000 0.559 274 E N 0.849 121.040 120.200 -0.015 0.000 2.148 274 E HA 0.400 4.741 4.350 -0.014 0.000 0.308 274 E C -0.015 176.606 176.600 0.034 0.000 1.278 274 E CA 0.141 56.553 56.400 0.020 0.000 1.368 274 E CB 0.457 30.252 29.700 0.160 0.000 1.229 274 E HN 0.538 nan 8.360 nan 0.000 0.494 275 V N 2.890 122.699 119.914 -0.175 0.000 2.409 275 V HA 0.327 4.438 4.120 -0.014 0.000 0.291 275 V C -0.695 175.235 176.094 -0.274 0.000 1.020 275 V CA -0.834 61.415 62.300 -0.085 0.000 0.848 275 V CB 0.538 32.336 31.823 -0.042 0.000 0.990 275 V HN 0.269 nan 8.190 nan 0.000 0.430 276 Y N 1.402 121.653 120.300 -0.080 0.000 2.509 276 Y HA 0.527 5.066 4.550 -0.018 0.000 0.341 276 Y C 0.352 176.168 175.900 -0.140 0.000 1.038 276 Y CA -1.257 56.769 58.100 -0.123 0.000 1.089 276 Y CB 1.389 39.767 38.460 -0.137 0.000 1.241 276 Y HN 0.678 nan 8.280 nan 0.000 0.468 277 E N 0.756 120.893 120.200 -0.105 0.000 2.366 277 E HA 0.572 4.914 4.350 -0.014 0.000 0.266 277 E C -0.296 176.230 176.600 -0.125 0.000 1.051 277 E CA -0.171 56.125 56.400 -0.174 0.000 0.884 277 E CB 0.719 30.162 29.700 -0.428 0.000 1.006 277 E HN 0.887 nan 8.360 nan 0.000 0.417 278 G N 1.174 109.901 108.800 -0.122 0.000 2.727 278 G HA2 0.524 4.475 3.960 -0.014 0.000 0.289 278 G HA3 0.524 4.475 3.960 -0.014 0.000 0.289 278 G C -1.544 173.327 174.900 -0.049 0.000 1.418 278 G CA -0.594 44.465 45.100 -0.069 0.000 0.818 278 G HN 0.455 nan 8.290 nan 0.000 0.486 279 V N 0.188 120.110 119.914 0.013 0.000 2.525 279 V HA 0.371 4.482 4.120 -0.014 0.000 0.299 279 V C -1.204 175.001 176.094 0.185 0.000 1.034 279 V CA -0.755 61.592 62.300 0.079 0.000 0.863 279 V CB 2.017 33.873 31.823 0.055 0.000 0.999 279 V HN 0.716 nan 8.190 nan 0.000 0.423 280 W N 5.210 126.548 121.300 0.063 0.000 2.365 280 W HA 0.376 5.026 4.660 -0.017 0.000 0.371 280 W C 1.020 177.593 176.519 0.089 0.000 1.006 280 W CA -1.215 56.199 57.345 0.114 0.000 1.528 280 W CB 0.372 29.948 29.460 0.193 0.000 1.497 280 W HN 0.712 nan 8.180 nan 0.000 0.367 281 K N 2.674 123.289 120.400 0.359 0.000 2.052 281 K HA -0.324 3.988 4.320 -0.014 0.000 0.215 281 K C 2.085 178.718 176.600 0.054 0.000 1.053 281 K CA 2.606 58.995 56.287 0.170 0.000 0.934 281 K CB -0.060 32.511 32.500 0.118 0.000 0.717 281 K HN 0.301 nan 8.250 nan 0.000 0.450 282 K N -0.160 120.241 120.400 0.002 0.000 2.127 282 K HA -0.209 4.102 4.320 -0.014 0.000 0.208 282 K C 0.951 177.169 176.600 -0.637 0.000 1.047 282 K CA 1.798 57.849 56.287 -0.392 0.000 0.927 282 K CB -0.045 32.075 32.500 -0.634 0.000 0.716 282 K HN 0.279 nan 8.250 nan 0.000 0.450 283 Y N -0.325 119.853 120.300 -0.204 0.000 2.555 283 Y HA 0.222 4.763 4.550 -0.015 0.000 0.259 283 Y C 0.527 176.370 175.900 -0.096 0.000 1.179 283 Y CA -0.018 57.953 58.100 -0.215 0.000 1.230 283 Y CB 0.721 38.946 38.460 -0.393 0.000 1.146 283 Y HN -0.014 nan 8.280 nan 0.000 0.526 284 S N 1.186 116.916 115.700 0.049 0.000 3.491 284 S HA -0.229 4.232 4.470 -0.014 0.000 0.371 284 S C -0.434 174.214 174.600 0.081 0.000 0.980 284 S CA 0.114 58.347 58.200 0.055 0.000 1.204 284 S CB -1.258 61.954 63.200 0.021 0.000 0.915 284 S HN 0.405 nan 8.310 nan 0.000 0.482 285 L N 2.426 123.733 121.223 0.141 0.000 2.333 285 L HA 0.633 4.965 4.340 -0.014 0.000 0.280 285 L C 0.278 177.233 176.870 0.142 0.000 1.004 285 L CA 0.030 54.955 54.840 0.142 0.000 0.820 285 L CB 1.803 43.963 42.059 0.168 0.000 1.247 285 L HN 0.238 nan 8.230 nan 0.000 0.416 286 T N 4.830 119.416 114.554 0.053 0.000 2.884 286 T HA 0.580 4.922 4.350 -0.014 0.000 0.298 286 T C -0.132 174.587 174.700 0.032 0.000 0.998 286 T CA 0.020 62.078 62.100 -0.069 0.000 1.124 286 T CB 0.779 69.472 68.868 -0.291 0.000 0.931 286 T HN 0.616 nan 8.240 nan 0.000 0.531 287 V N -0.360 119.566 119.914 0.019 0.000 3.182 287 V HA 1.016 5.128 4.120 -0.014 0.000 0.308 287 V C -0.726 175.461 176.094 0.154 0.000 1.240 287 V CA -1.618 60.779 62.300 0.163 0.000 1.063 287 V CB 1.605 33.536 31.823 0.180 0.000 1.076 287 V HN 0.980 nan 8.190 nan 0.000 0.446 288 A N 0.659 123.604 122.820 0.207 0.000 2.324 288 A HA 0.913 5.224 4.320 -0.014 0.000 0.330 288 A C -0.752 176.867 177.584 0.059 0.000 1.165 288 A CA -0.696 51.441 52.037 0.166 0.000 0.813 288 A CB 1.536 20.628 19.000 0.153 0.000 1.197 288 A HN 1.538 nan 8.150 nan 0.000 0.484 289 V N 2.201 122.130 119.914 0.025 0.000 2.525 289 V HA 0.411 4.523 4.120 -0.014 0.000 0.299 289 V C -0.253 175.850 176.094 0.016 0.000 1.034 289 V CA -0.673 61.597 62.300 -0.050 0.000 0.863 289 V CB 1.644 33.330 31.823 -0.228 0.000 0.999 289 V HN 0.970 nan 8.190 nan 0.000 0.423 290 K N 2.612 123.045 120.400 0.056 0.000 2.213 290 K HA 0.662 4.973 4.320 -0.014 0.000 0.270 290 K C -0.395 176.374 176.600 0.281 0.000 1.002 290 K CA -0.063 56.328 56.287 0.174 0.000 0.868 290 K CB 1.673 34.281 32.500 0.181 0.000 1.093 290 K HN 0.743 nan 8.250 nan 0.000 0.454 291 T N 3.710 118.396 114.554 0.220 0.000 2.918 291 T HA 0.407 4.748 4.350 -0.014 0.000 0.286 291 T C -1.300 173.363 174.700 -0.062 0.000 1.026 291 T CA -0.890 61.281 62.100 0.120 0.000 1.031 291 T CB 0.720 69.604 68.868 0.027 0.000 1.046 291 T HN 0.502 nan 8.240 nan 0.000 0.479 292 L N 3.915 124.876 121.223 -0.437 0.000 2.305 292 L HA 0.581 4.912 4.340 -0.014 0.000 0.281 292 L C -0.012 176.716 176.870 -0.237 0.000 1.085 292 L CA -0.425 54.077 54.840 -0.564 0.000 0.813 292 L CB 0.710 42.201 42.059 -0.946 0.000 1.157 292 L HN 0.573 nan 8.230 nan 0.000 0.436 293 K N 3.232 123.552 120.400 -0.134 0.000 2.379 293 K HA 0.043 4.355 4.320 -0.014 0.000 0.284 293 K C 0.817 177.355 176.600 -0.104 0.000 1.044 293 K CA 0.644 56.885 56.287 -0.077 0.000 0.974 293 K CB 0.724 33.204 32.500 -0.033 0.000 0.962 293 K HN 0.740 nan 8.250 nan 0.000 0.474 294 E N 2.719 122.859 120.200 -0.100 0.000 2.216 294 E HA -0.132 4.210 4.350 -0.014 0.000 0.192 294 E C 0.235 176.789 176.600 -0.077 0.000 0.988 294 E CA 0.908 57.241 56.400 -0.111 0.000 0.834 294 E CB 0.256 29.889 29.700 -0.110 0.000 0.772 294 E HN 0.703 nan 8.360 nan 0.000 0.479 295 D N 0.124 120.491 120.400 -0.055 0.000 2.389 295 D HA -0.077 4.555 4.640 -0.014 0.000 0.221 295 D C -0.142 176.136 176.300 -0.036 0.000 0.974 295 D CA 0.941 54.917 54.000 -0.040 0.000 0.923 295 D CB 0.229 41.013 40.800 -0.028 0.000 0.892 295 D HN 0.043 nan 8.370 nan 0.000 0.518 296 T N 1.210 115.740 114.554 -0.041 0.000 3.348 296 T HA 0.137 4.479 4.350 -0.014 0.000 0.328 296 T C 0.208 174.888 174.700 -0.034 0.000 0.913 296 T CA -0.644 61.438 62.100 -0.030 0.000 1.043 296 T CB 1.288 70.146 68.868 -0.017 0.000 1.021 296 T HN -0.190 nan 8.240 nan 0.000 0.461 297 M N 3.849 123.429 119.600 -0.034 0.000 3.282 297 M HA 0.083 4.555 4.480 -0.014 0.000 0.242 297 M C 1.208 177.512 176.300 0.007 0.000 1.568 297 M CA 0.269 55.551 55.300 -0.031 0.000 1.668 297 M CB -1.287 31.294 32.600 -0.032 0.000 1.236 297 M HN 0.687 nan 8.290 nan 0.000 0.527 298 E N -0.242 119.973 120.200 0.023 0.000 2.394 298 E HA 0.124 4.465 4.350 -0.014 0.000 0.191 298 E C 0.967 177.638 176.600 0.119 0.000 1.044 298 E CA -0.167 56.273 56.400 0.067 0.000 0.939 298 E CB -0.068 29.677 29.700 0.075 0.000 1.089 298 E HN 0.296 nan 8.360 nan 0.000 0.456 299 V N 1.626 121.604 119.914 0.107 0.000 2.280 299 V HA -0.379 3.733 4.120 -0.014 0.000 0.258 299 V C 2.337 178.574 176.094 0.238 0.000 1.081 299 V CA 2.381 64.799 62.300 0.198 0.000 1.070 299 V CB -0.576 31.349 31.823 0.171 0.000 0.666 299 V HN 0.411 nan 8.190 nan 0.000 0.450 300 E N -0.346 119.949 120.200 0.159 0.000 2.070 300 E HA -0.280 4.062 4.350 -0.014 0.000 0.197 300 E C 2.198 178.878 176.600 0.133 0.000 1.004 300 E CA 1.857 58.335 56.400 0.130 0.000 0.805 300 E CB -0.227 29.531 29.700 0.095 0.000 0.744 300 E HN 0.795 nan 8.360 nan 0.000 0.451 301 E N 0.084 120.372 120.200 0.146 0.000 2.031 301 E HA -0.168 4.174 4.350 -0.014 0.000 0.193 301 E C 1.948 178.639 176.600 0.151 0.000 0.994 301 E CA 0.976 57.457 56.400 0.134 0.000 0.800 301 E CB -0.437 29.346 29.700 0.140 0.000 0.752 301 E HN 0.178 nan 8.360 nan 0.000 0.447 302 F N 0.162 120.152 119.950 0.066 0.000 2.069 302 F HA -0.211 4.307 4.527 -0.015 0.000 0.298 302 F C 1.854 177.679 175.800 0.041 0.000 1.113 302 F CA 1.255 59.297 58.000 0.070 0.000 1.214 302 F CB -0.340 38.734 39.000 0.124 0.000 0.978 302 F HN 0.120 nan 8.300 nan 0.000 0.474 303 L N 0.684 122.041 121.223 0.224 0.000 2.042 303 L HA -0.236 4.096 4.340 -0.014 0.000 0.210 303 L C 2.289 179.125 176.870 -0.057 0.000 1.076 303 L CA 1.795 56.668 54.840 0.054 0.000 0.749 303 L CB -1.018 41.096 42.059 0.092 0.000 0.893 303 L HN 0.100 nan 8.230 nan 0.000 0.432 304 K N -0.843 119.546 120.400 -0.018 0.000 2.097 304 K HA -0.235 4.077 4.320 -0.014 0.000 0.206 304 K C 2.033 178.570 176.600 -0.106 0.000 1.049 304 K CA 1.510 57.773 56.287 -0.039 0.000 0.933 304 K CB -0.135 32.369 32.500 0.006 0.000 0.717 304 K HN 0.375 nan 8.250 nan 0.000 0.442 305 E N 0.806 120.912 120.200 -0.158 0.000 2.077 305 E HA -0.189 4.153 4.350 -0.014 0.000 0.193 305 E C 1.938 178.363 176.600 -0.292 0.000 0.989 305 E CA 1.013 57.276 56.400 -0.227 0.000 0.800 305 E CB -0.017 29.523 29.700 -0.266 0.000 0.746 305 E HN 0.317 nan 8.360 nan 0.000 0.452 306 A N 1.313 123.926 122.820 -0.345 0.000 1.877 306 A HA -0.137 4.174 4.320 -0.014 0.000 0.216 306 A C 2.444 179.833 177.584 -0.325 0.000 1.186 306 A CA 1.965 53.790 52.037 -0.353 0.000 0.620 306 A CB -1.004 17.800 19.000 -0.327 0.000 0.822 306 A HN 0.429 nan 8.150 nan 0.000 0.443 307 A N -0.573 122.103 122.820 -0.240 0.000 1.865 307 A HA -0.065 4.246 4.320 -0.014 0.000 0.217 307 A C 2.259 179.727 177.584 -0.193 0.000 1.191 307 A CA 1.993 53.909 52.037 -0.201 0.000 0.623 307 A CB -1.176 17.757 19.000 -0.112 0.000 0.826 307 A HN 0.446 nan 8.150 nan 0.000 0.444 308 V N 0.173 119.990 119.914 -0.162 0.000 2.282 308 V HA -0.371 3.740 4.120 -0.014 0.000 0.249 308 V C 2.696 178.645 176.094 -0.242 0.000 1.057 308 V CA 2.402 64.608 62.300 -0.157 0.000 1.032 308 V CB -0.719 30.973 31.823 -0.217 0.000 0.645 308 V HN 0.582 nan 8.190 nan 0.000 0.447 309 M N -0.815 118.608 119.600 -0.296 0.000 2.149 309 M HA -0.240 4.231 4.480 -0.014 0.000 0.261 309 M C 2.228 178.301 176.300 -0.379 0.000 1.064 309 M CA 1.813 56.923 55.300 -0.317 0.000 1.102 309 M CB -0.628 31.781 32.600 -0.318 0.000 1.369 309 M HN 0.301 nan 8.290 nan 0.000 0.408 310 K N -0.023 120.068 120.400 -0.515 0.000 2.152 310 K HA -0.149 4.163 4.320 -0.014 0.000 0.206 310 K C 1.714 178.176 176.600 -0.229 0.000 1.048 310 K CA 0.949 56.820 56.287 -0.693 0.000 0.933 310 K CB -0.055 31.994 32.500 -0.750 0.000 0.721 310 K HN 0.290 nan 8.250 nan 0.000 0.447 311 E N 0.322 120.437 120.200 -0.141 0.000 2.385 311 E HA 0.011 4.353 4.350 -0.014 0.000 0.194 311 E C 0.463 177.068 176.600 0.008 0.000 1.013 311 E CA 0.277 56.669 56.400 -0.015 0.000 0.866 311 E CB 0.217 29.943 29.700 0.043 0.000 0.832 311 E HN 0.169 nan 8.360 nan 0.000 0.500 312 I N 2.197 122.732 120.570 -0.060 0.000 2.517 312 I HA 0.028 4.190 4.170 -0.014 0.000 0.285 312 I C 0.258 176.278 176.117 -0.161 0.000 1.106 312 I CA 0.320 61.599 61.300 -0.035 0.000 1.402 312 I CB -0.080 37.846 38.000 -0.123 0.000 1.399 312 I HN -0.255 nan 8.210 nan 0.000 0.535 313 K N 6.425 126.648 120.400 -0.294 0.000 2.664 313 K HA 0.384 4.696 4.320 -0.014 0.000 0.234 313 K C -0.806 175.322 176.600 -0.786 0.000 0.980 313 K CA -0.533 55.233 56.287 -0.867 0.000 0.996 313 K CB 1.575 33.402 32.500 -1.123 0.000 1.190 313 K HN 0.525 nan 8.250 nan 0.000 0.479 314 H N 2.155 120.918 119.070 -0.511 0.000 3.086 314 H HA 0.147 4.694 4.556 -0.015 0.000 0.353 314 H C -2.570 172.718 175.328 -0.067 0.000 1.134 314 H CA -1.596 54.206 56.048 -0.411 0.000 1.248 314 H CB 2.440 31.644 29.762 -0.930 0.000 1.878 314 H HN 0.114 nan 8.280 nan 0.000 0.527 315 P HA -0.100 nan 4.420 nan 0.000 0.218 315 P C -0.053 177.238 177.300 -0.014 0.000 1.146 315 P CA 1.524 64.526 63.100 -0.163 0.000 0.820 315 P CB 0.287 31.819 31.700 -0.280 0.000 0.778 316 N N -1.694 117.131 118.700 0.209 0.000 2.275 316 N HA 0.216 4.948 4.740 -0.014 0.000 0.236 316 N C -0.384 175.131 175.510 0.007 0.000 1.154 316 N CA -0.065 53.041 53.050 0.092 0.000 0.866 316 N CB 0.230 38.755 38.487 0.062 0.000 1.093 316 N HN 0.083 nan 8.380 nan 0.000 0.515 317 L N 0.846 122.075 121.223 0.011 0.000 2.362 317 L HA 0.483 4.815 4.340 -0.014 0.000 0.275 317 L C -0.228 176.619 176.870 -0.038 0.000 0.998 317 L CA -1.257 53.541 54.840 -0.070 0.000 0.820 317 L CB 2.207 44.185 42.059 -0.135 0.000 1.270 317 L HN -0.127 nan 8.230 nan 0.000 0.415 318 V N 2.557 122.439 119.914 -0.053 0.000 2.509 318 V HA -0.087 4.024 4.120 -0.014 0.000 0.297 318 V C 0.364 176.454 176.094 -0.006 0.000 1.014 318 V CA 0.112 62.393 62.300 -0.031 0.000 1.127 318 V CB 0.666 32.462 31.823 -0.046 0.000 0.925 318 V HN 0.708 nan 8.190 nan 0.000 0.480 319 Q N 4.065 123.891 119.800 0.044 0.000 2.288 319 Q HA 0.399 4.731 4.340 -0.014 0.000 0.254 319 Q C -0.770 175.295 176.000 0.108 0.000 0.932 319 Q CA -0.342 55.524 55.803 0.105 0.000 0.902 319 Q CB 1.359 30.195 28.738 0.164 0.000 1.203 319 Q HN 0.661 nan 8.270 nan 0.000 0.415 320 L N 4.734 126.019 121.223 0.104 0.000 2.397 320 L HA 0.214 4.546 4.340 -0.014 0.000 0.271 320 L C -0.358 176.721 176.870 0.348 0.000 1.148 320 L CA 0.610 55.504 54.840 0.089 0.000 0.825 320 L CB 0.494 42.442 42.059 -0.185 0.000 1.117 320 L HN 0.971 nan 8.230 nan 0.000 0.456 321 L N 3.790 125.213 121.223 0.334 0.000 2.577 321 L HA 0.536 4.868 4.340 -0.014 0.000 0.225 321 L C 0.849 178.019 176.870 0.501 0.000 1.053 321 L CA 0.355 55.461 54.840 0.444 0.000 0.866 321 L CB 0.204 42.509 42.059 0.410 0.000 1.132 321 L HN 0.818 nan 8.230 nan 0.000 0.486 322 G N -0.115 108.896 108.800 0.352 0.000 2.441 322 G HA2 0.480 4.432 3.960 -0.014 0.000 0.294 322 G HA3 0.480 4.432 3.960 -0.014 0.000 0.294 322 G C -1.874 173.105 174.900 0.132 0.000 1.393 322 G CA 0.079 45.359 45.100 0.300 0.000 0.796 322 G HN -0.111 nan 8.290 nan 0.000 0.494 323 V N -4.048 115.933 119.914 0.112 0.000 3.147 323 V HA 0.799 4.911 4.120 -0.014 0.000 0.306 323 V C -0.785 175.334 176.094 0.042 0.000 1.209 323 V CA -1.081 61.254 62.300 0.058 0.000 1.023 323 V CB 1.557 33.373 31.823 -0.012 0.000 1.059 323 V HN 1.279 nan 8.190 nan 0.000 0.435 324 C N 2.284 121.615 119.300 0.052 0.000 2.814 324 C HA 0.656 5.107 4.460 -0.014 0.000 0.269 324 C C 1.186 176.150 174.990 -0.043 0.000 1.090 324 C CA 0.384 59.392 59.018 -0.017 0.000 1.492 324 C CB -0.178 27.488 27.740 -0.123 0.000 1.825 324 C HN 1.126 nan 8.230 nan 0.000 0.442 325 T N -1.870 112.572 114.554 -0.188 0.000 3.040 325 T HA 0.097 4.438 4.350 -0.014 0.000 0.266 325 T C 1.640 176.118 174.700 -0.369 0.000 1.005 325 T CA -0.076 61.646 62.100 -0.631 0.000 0.906 325 T CB -0.041 68.451 68.868 -0.627 0.000 1.082 325 T HN 0.430 nan 8.240 nan 0.000 0.531 326 R N 1.904 122.361 120.500 -0.071 0.000 2.081 326 R HA 0.093 4.424 4.340 -0.014 0.000 0.235 326 R C 0.575 176.972 176.300 0.162 0.000 1.131 326 R CA 1.360 57.475 56.100 0.025 0.000 0.960 326 R CB -0.131 30.178 30.300 0.015 0.000 0.856 326 R HN 0.833 nan 8.270 nan 0.000 0.436 327 E N -1.406 118.957 120.200 0.272 0.000 2.423 327 E HA 0.424 4.766 4.350 -0.014 0.000 0.280 327 E C -2.979 173.753 176.600 0.220 0.000 1.030 327 E CA -2.196 54.361 56.400 0.262 0.000 0.812 327 E CB 1.480 31.223 29.700 0.072 0.000 1.313 327 E HN -0.239 nan 8.360 nan 0.000 0.456 328 P HA 0.239 nan 4.420 nan 0.000 0.272 328 P C -2.461 174.727 177.300 -0.187 0.000 1.223 328 P CA -1.030 61.864 63.100 -0.344 0.000 0.784 328 P CB -0.026 31.414 31.700 -0.433 0.000 0.923 329 P HA 0.227 nan 4.420 nan 0.000 0.284 329 P C -0.668 176.600 177.300 -0.054 0.000 1.253 329 P CA -0.128 62.858 63.100 -0.190 0.000 0.800 329 P CB 0.371 32.033 31.700 -0.063 0.000 0.961 330 F N 1.889 121.772 119.950 -0.113 0.000 2.484 330 F HA 0.233 4.751 4.527 -0.015 0.000 0.360 330 F C 0.705 176.689 175.800 0.307 0.000 1.101 330 F CA -0.171 57.832 58.000 0.005 0.000 1.251 330 F CB 0.468 39.465 39.000 -0.004 0.000 1.132 330 F HN 0.232 nan 8.300 nan 0.000 0.570 331 Y N 2.994 123.499 120.300 0.342 0.000 2.524 331 Y HA 0.614 5.156 4.550 -0.013 0.000 0.344 331 Y C -0.169 175.881 175.900 0.250 0.000 1.012 331 Y CA -1.378 56.888 58.100 0.276 0.000 1.068 331 Y CB 2.650 41.169 38.460 0.098 0.000 1.249 331 Y HN 0.259 nan 8.280 nan 0.000 0.468 332 I N 4.115 124.879 120.570 0.323 0.000 2.468 332 I HA 0.254 4.415 4.170 -0.014 0.000 0.284 332 I C -1.369 174.774 176.117 0.044 0.000 1.038 332 I CA -0.561 60.782 61.300 0.071 0.000 1.083 332 I CB 1.462 39.392 38.000 -0.117 0.000 1.223 332 I HN 0.352 nan 8.210 nan 0.000 0.443 333 I N 5.934 126.522 120.570 0.030 0.000 2.354 333 I HA 0.458 4.620 4.170 -0.014 0.000 0.292 333 I C 0.606 176.758 176.117 0.059 0.000 0.989 333 I CA -0.028 61.282 61.300 0.016 0.000 1.188 333 I CB 1.771 39.737 38.000 -0.057 0.000 1.342 333 I HN 0.553 nan 8.210 nan 0.000 0.457 334 T N 1.313 115.912 114.554 0.074 0.000 2.864 334 T HA 0.630 4.971 4.350 -0.014 0.000 0.289 334 T C -0.379 174.407 174.700 0.142 0.000 1.082 334 T CA -1.051 61.108 62.100 0.099 0.000 1.009 334 T CB 1.290 70.186 68.868 0.047 0.000 1.234 334 T HN 0.610 nan 8.240 nan 0.000 0.526 335 E N 0.344 120.626 120.200 0.137 0.000 2.408 335 E HA 0.318 4.659 4.350 -0.014 0.000 0.259 335 E C -1.176 175.522 176.600 0.163 0.000 1.110 335 E CA -0.815 55.678 56.400 0.155 0.000 0.929 335 E CB 0.331 30.096 29.700 0.108 0.000 0.971 335 E HN 0.503 nan 8.360 nan 0.000 0.438 336 F N 2.737 122.707 119.950 0.033 0.000 2.404 336 F HA 0.266 4.785 4.527 -0.014 0.000 0.354 336 F C -0.571 175.227 175.800 -0.003 0.000 1.122 336 F CA -1.224 56.780 58.000 0.006 0.000 1.080 336 F CB 1.034 40.041 39.000 0.012 0.000 1.131 336 F HN 0.350 nan 8.300 nan 0.000 0.471 337 M N 6.003 125.235 119.600 -0.612 0.000 2.108 337 M HA 0.116 4.588 4.480 -0.014 0.000 0.347 337 M C 1.443 177.262 176.300 -0.802 0.000 1.326 337 M CA -0.122 54.900 55.300 -0.462 0.000 1.126 337 M CB 0.450 32.859 32.600 -0.319 0.000 1.606 337 M HN 0.763 nan 8.290 nan 0.000 0.462 338 T N -0.145 114.158 114.554 -0.418 0.000 2.962 338 T HA -0.125 4.216 4.350 -0.014 0.000 0.270 338 T C 0.960 175.381 174.700 -0.466 0.000 1.088 338 T CA 1.260 63.143 62.100 -0.363 0.000 1.127 338 T CB -0.316 68.397 68.868 -0.259 0.000 0.883 338 T HN 0.594 nan 8.240 nan 0.000 0.493 339 Y N 2.025 122.262 120.300 -0.105 0.000 2.571 339 Y HA 0.499 5.043 4.550 -0.010 0.000 0.275 339 Y C 1.767 177.674 175.900 0.011 0.000 1.179 339 Y CA -0.334 57.766 58.100 -0.001 0.000 1.242 339 Y CB -0.196 38.271 38.460 0.012 0.000 1.126 339 Y HN 0.569 nan 8.280 nan 0.000 0.524 340 G N 1.567 110.363 108.800 -0.007 0.000 2.645 340 G HA2 -0.356 3.596 3.960 -0.014 0.000 0.246 340 G HA3 -0.356 3.596 3.960 -0.014 0.000 0.246 340 G C -0.303 174.627 174.900 0.049 0.000 1.322 340 G CA -0.296 44.818 45.100 0.024 0.000 0.898 340 G HN 0.620 nan 8.290 nan 0.000 0.573 341 N N -0.636 118.131 118.700 0.112 0.000 2.467 341 N HA 0.444 5.176 4.740 -0.014 0.000 0.262 341 N C 1.285 176.890 175.510 0.157 0.000 1.234 341 N CA -0.009 53.117 53.050 0.127 0.000 0.952 341 N CB 1.035 39.651 38.487 0.216 0.000 1.158 341 N HN 0.959 nan 8.380 nan 0.000 0.463 342 L N 0.836 122.132 121.223 0.122 0.000 2.131 342 L HA 0.004 4.336 4.340 -0.014 0.000 0.210 342 L C 1.659 178.653 176.870 0.206 0.000 1.092 342 L CA 1.261 56.188 54.840 0.145 0.000 0.759 342 L CB -0.892 41.212 42.059 0.075 0.000 0.903 342 L HN 0.798 nan 8.230 nan 0.000 0.435 343 L N -0.518 120.816 121.223 0.185 0.000 1.994 343 L HA -0.196 4.136 4.340 -0.014 0.000 0.208 343 L C 2.096 179.080 176.870 0.190 0.000 1.071 343 L CA 1.981 56.935 54.840 0.190 0.000 0.745 343 L CB -1.008 41.160 42.059 0.181 0.000 0.892 343 L HN 0.310 nan 8.230 nan 0.000 0.431 344 D N -1.665 118.848 120.400 0.188 0.000 2.144 344 D HA -0.247 4.384 4.640 -0.014 0.000 0.199 344 D C 2.040 178.447 176.300 0.178 0.000 0.984 344 D CA 1.524 55.624 54.000 0.167 0.000 0.834 344 D CB -0.300 40.597 40.800 0.162 0.000 0.955 344 D HN 0.469 nan 8.370 nan 0.000 0.465 345 Y N 1.612 121.981 120.300 0.115 0.000 2.128 345 Y HA -0.183 4.358 4.550 -0.016 0.000 0.284 345 Y C 2.301 178.275 175.900 0.124 0.000 1.154 345 Y CA 1.323 59.492 58.100 0.115 0.000 1.149 345 Y CB -0.386 38.136 38.460 0.104 0.000 0.976 345 Y HN -0.111 nan 8.280 nan 0.000 0.505 346 L N -0.251 121.131 121.223 0.264 0.000 2.079 346 L HA -0.251 4.081 4.340 -0.014 0.000 0.210 346 L C 2.499 179.458 176.870 0.148 0.000 1.081 346 L CA 1.632 56.614 54.840 0.237 0.000 0.752 346 L CB -0.469 41.729 42.059 0.231 0.000 0.896 346 L HN 0.156 nan 8.230 nan 0.000 0.433 347 R N -0.206 120.356 120.500 0.104 0.000 2.148 347 R HA -0.092 4.239 4.340 -0.014 0.000 0.223 347 R C 1.554 177.850 176.300 -0.007 0.000 1.088 347 R CA 0.931 57.069 56.100 0.063 0.000 0.985 347 R CB 0.010 30.359 30.300 0.083 0.000 0.880 347 R HN 0.462 nan 8.270 nan 0.000 0.451 348 E N -0.231 119.937 120.200 -0.053 0.000 2.489 348 E HA 0.024 4.366 4.350 -0.014 0.000 0.204 348 E C 0.455 176.951 176.600 -0.174 0.000 1.006 348 E CA -0.226 56.121 56.400 -0.088 0.000 0.936 348 E CB 0.480 30.149 29.700 -0.051 0.000 1.002 348 E HN 0.313 nan 8.360 nan 0.000 0.488 349 C N 1.102 120.237 119.300 -0.275 0.000 2.649 349 C HA 0.303 4.754 4.460 -0.014 0.000 0.377 349 C C 0.634 175.512 174.990 -0.187 0.000 1.321 349 C CA -1.333 57.488 59.018 -0.328 0.000 2.368 349 C CB 0.112 27.597 27.740 -0.424 0.000 2.597 349 C HN 0.157 nan 8.230 nan 0.000 0.678 350 N N 1.182 119.804 118.700 -0.130 0.000 2.402 350 N HA 0.186 4.917 4.740 -0.014 0.000 0.252 350 N C 1.042 176.494 175.510 -0.097 0.000 1.118 350 N CA -0.072 52.921 53.050 -0.095 0.000 0.945 350 N CB 0.127 38.588 38.487 -0.043 0.000 1.147 350 N HN 0.715 nan 8.380 nan 0.000 0.495 351 R N 1.702 122.088 120.500 -0.189 0.000 2.293 351 R HA -0.069 4.263 4.340 -0.014 0.000 0.219 351 R C 0.879 177.127 176.300 -0.087 0.000 1.091 351 R CA 0.819 56.776 56.100 -0.238 0.000 1.004 351 R CB 0.225 30.214 30.300 -0.517 0.000 0.865 351 R HN 0.630 nan 8.270 nan 0.000 0.469 352 Q N 0.248 120.011 119.800 -0.061 0.000 2.163 352 Q HA -0.107 4.224 4.340 -0.014 0.000 0.198 352 Q C 1.791 177.789 176.000 -0.003 0.000 0.954 352 Q CA 1.048 56.833 55.803 -0.030 0.000 0.851 352 Q CB 0.117 28.836 28.738 -0.033 0.000 0.928 352 Q HN 0.498 nan 8.270 nan 0.000 0.459 353 E N 0.510 120.718 120.200 0.014 0.000 2.076 353 E HA -0.049 4.293 4.350 -0.014 0.000 0.190 353 E C 0.110 176.742 176.600 0.053 0.000 0.979 353 E CA 0.509 56.937 56.400 0.047 0.000 0.807 353 E CB 0.539 30.293 29.700 0.089 0.000 0.761 353 E HN -0.012 nan 8.360 nan 0.000 0.454 354 V N 4.283 124.247 119.914 0.084 0.000 2.096 354 V HA 0.060 4.172 4.120 -0.014 0.000 0.259 354 V C -0.248 175.940 176.094 0.156 0.000 1.420 354 V CA -0.400 61.969 62.300 0.114 0.000 1.336 354 V CB -0.862 31.112 31.823 0.251 0.000 1.394 354 V HN 0.309 nan 8.190 nan 0.000 0.494 355 N N 2.603 121.346 118.700 0.072 0.000 2.374 355 N HA 0.416 5.148 4.740 -0.014 0.000 0.284 355 N C 1.475 177.003 175.510 0.030 0.000 1.280 355 N CA 0.020 53.115 53.050 0.076 0.000 0.963 355 N CB 0.510 39.006 38.487 0.016 0.000 1.141 355 N HN 0.165 nan 8.380 nan 0.000 0.565 356 A N -0.388 122.426 122.820 -0.009 0.000 1.948 356 A HA -0.131 4.180 4.320 -0.014 0.000 0.220 356 A C 2.143 179.659 177.584 -0.114 0.000 1.177 356 A CA 1.819 53.807 52.037 -0.082 0.000 0.636 356 A CB -1.267 17.670 19.000 -0.105 0.000 0.815 356 A HN 0.437 nan 8.150 nan 0.000 0.449 357 V N -0.362 119.497 119.914 -0.092 0.000 2.392 357 V HA -0.242 3.870 4.120 -0.014 0.000 0.249 357 V C 2.571 178.657 176.094 -0.012 0.000 1.059 357 V CA 2.081 64.337 62.300 -0.074 0.000 1.051 357 V CB -0.545 31.252 31.823 -0.042 0.000 0.658 357 V HN 0.421 nan 8.190 nan 0.000 0.455 358 V N -0.500 119.410 119.914 -0.006 0.000 2.379 358 V HA -0.201 3.911 4.120 -0.014 0.000 0.245 358 V C 2.263 178.317 176.094 -0.066 0.000 1.044 358 V CA 1.592 63.867 62.300 -0.041 0.000 1.036 358 V CB -0.532 31.206 31.823 -0.142 0.000 0.664 358 V HN 0.425 nan 8.190 nan 0.000 0.453 359 L N -0.560 120.607 121.223 -0.092 0.000 2.012 359 L HA -0.213 4.119 4.340 -0.014 0.000 0.210 359 L C 2.525 179.301 176.870 -0.156 0.000 1.073 359 L CA 1.519 56.273 54.840 -0.143 0.000 0.748 359 L CB -0.662 41.269 42.059 -0.213 0.000 0.891 359 L HN 0.348 nan 8.230 nan 0.000 0.431 360 L N -0.993 120.145 121.223 -0.141 0.000 2.046 360 L HA -0.268 4.064 4.340 -0.014 0.000 0.208 360 L C 2.511 179.282 176.870 -0.165 0.000 1.077 360 L CA 1.680 56.416 54.840 -0.173 0.000 0.747 360 L CB -0.748 41.235 42.059 -0.127 0.000 0.896 360 L HN 0.160 nan 8.230 nan 0.000 0.432 361 Y N -0.087 120.073 120.300 -0.235 0.000 2.128 361 Y HA -0.288 4.253 4.550 -0.015 0.000 0.284 361 Y C 2.353 178.102 175.900 -0.252 0.000 1.154 361 Y CA 2.290 60.235 58.100 -0.258 0.000 1.149 361 Y CB -0.373 37.835 38.460 -0.420 0.000 0.976 361 Y HN 0.229 nan 8.280 nan 0.000 0.505 362 M N -0.722 118.704 119.600 -0.290 0.000 2.175 362 M HA -0.113 4.359 4.480 -0.014 0.000 0.264 362 M C 2.439 178.588 176.300 -0.251 0.000 1.063 362 M CA 1.529 56.637 55.300 -0.319 0.000 1.119 362 M CB -0.569 31.917 32.600 -0.190 0.000 1.377 362 M HN 0.350 nan 8.290 nan 0.000 0.415 363 A N 0.070 122.733 122.820 -0.260 0.000 1.969 363 A HA -0.114 4.198 4.320 -0.014 0.000 0.218 363 A C 2.195 179.603 177.584 -0.293 0.000 1.169 363 A CA 2.004 53.891 52.037 -0.252 0.000 0.635 363 A CB -1.003 17.753 19.000 -0.407 0.000 0.810 363 A HN 0.444 nan 8.150 nan 0.000 0.445 364 T N -0.047 114.255 114.554 -0.419 0.000 2.812 364 T HA -0.138 4.204 4.350 -0.014 0.000 0.264 364 T C 2.038 176.713 174.700 -0.042 0.000 1.042 364 T CA 1.586 63.542 62.100 -0.240 0.000 1.140 364 T CB -0.219 68.541 68.868 -0.180 0.000 0.870 364 T HN 0.619 nan 8.240 nan 0.000 0.445 365 Q N 0.304 119.995 119.800 -0.181 0.000 2.084 365 Q HA -0.005 4.327 4.340 -0.014 0.000 0.202 365 Q C 2.321 178.268 176.000 -0.089 0.000 0.978 365 Q CA 1.194 56.901 55.803 -0.161 0.000 0.844 365 Q CB -0.355 28.191 28.738 -0.320 0.000 0.898 365 Q HN 0.521 nan 8.270 nan 0.000 0.426 366 I N 0.738 121.273 120.570 -0.059 0.000 2.315 366 I HA -0.258 3.904 4.170 -0.014 0.000 0.248 366 I C 2.536 178.618 176.117 -0.058 0.000 1.117 366 I CA 1.247 62.544 61.300 -0.005 0.000 1.404 366 I CB -0.387 37.706 38.000 0.154 0.000 1.071 366 I HN 0.228 nan 8.210 nan 0.000 0.419 367 S N -0.590 115.105 115.700 -0.008 0.000 2.402 367 S HA -0.178 4.283 4.470 -0.014 0.000 0.229 367 S C 2.126 176.623 174.600 -0.172 0.000 1.021 367 S CA 1.363 59.468 58.200 -0.158 0.000 0.974 367 S CB -0.496 62.769 63.200 0.107 0.000 0.800 367 S HN 0.387 nan 8.310 nan 0.000 0.484 368 S N 1.934 117.559 115.700 -0.125 0.000 2.368 368 S HA 0.022 4.483 4.470 -0.014 0.000 0.225 368 S C 2.146 176.501 174.600 -0.408 0.000 1.030 368 S CA 1.172 59.197 58.200 -0.292 0.000 0.999 368 S CB -0.916 62.208 63.200 -0.128 0.000 0.844 368 S HN 0.766 nan 8.310 nan 0.000 0.459 369 A N 1.914 124.471 122.820 -0.439 0.000 1.877 369 A HA -0.056 4.255 4.320 -0.014 0.000 0.216 369 A C 2.235 179.528 177.584 -0.483 0.000 1.186 369 A CA 1.764 53.429 52.037 -0.620 0.000 0.620 369 A CB -0.611 18.166 19.000 -0.370 0.000 0.822 369 A HN 0.541 nan 8.150 nan 0.000 0.443 370 M N -0.570 118.695 119.600 -0.558 0.000 2.229 370 M HA -0.106 4.365 4.480 -0.014 0.000 0.264 370 M C 1.961 177.905 176.300 -0.594 0.000 1.063 370 M CA 1.587 56.374 55.300 -0.856 0.000 1.114 370 M CB -1.408 30.031 32.600 -1.935 0.000 1.387 370 M HN 0.700 nan 8.290 nan 0.000 0.420 371 E N -0.488 119.500 120.200 -0.354 0.000 2.110 371 E HA -0.248 4.094 4.350 -0.014 0.000 0.193 371 E C 2.068 178.627 176.600 -0.068 0.000 0.988 371 E CA 1.180 57.523 56.400 -0.095 0.000 0.804 371 E CB -0.188 29.465 29.700 -0.079 0.000 0.745 371 E HN 0.505 nan 8.360 nan 0.000 0.458 372 Y N 1.156 121.303 120.300 -0.256 0.000 2.114 372 Y HA -0.204 4.338 4.550 -0.014 0.000 0.284 372 Y C 1.991 177.833 175.900 -0.095 0.000 1.143 372 Y CA 1.773 59.770 58.100 -0.172 0.000 1.135 372 Y CB -0.244 38.035 38.460 -0.300 0.000 0.980 372 Y HN 0.012 nan 8.280 nan 0.000 0.499 373 L N 0.228 121.444 121.223 -0.011 0.000 2.046 373 L HA -0.232 4.099 4.340 -0.014 0.000 0.208 373 L C 2.552 179.419 176.870 -0.006 0.000 1.077 373 L CA 1.914 56.767 54.840 0.022 0.000 0.747 373 L CB -0.727 41.340 42.059 0.014 0.000 0.896 373 L HN 0.349 nan 8.230 nan 0.000 0.432 374 E N 1.363 121.550 120.200 -0.021 0.000 2.049 374 E HA -0.303 4.039 4.350 -0.014 0.000 0.198 374 E C 2.129 178.709 176.600 -0.032 0.000 1.007 374 E CA 2.075 58.500 56.400 0.042 0.000 0.809 374 E CB 0.002 29.787 29.700 0.142 0.000 0.749 374 E HN 0.535 nan 8.360 nan 0.000 0.450 375 K N -0.437 119.912 120.400 -0.085 0.000 2.365 375 K HA -0.051 4.261 4.320 -0.014 0.000 0.199 375 K C 1.454 177.942 176.600 -0.188 0.000 1.045 375 K CA 0.823 57.039 56.287 -0.119 0.000 0.962 375 K CB 0.230 32.663 32.500 -0.111 0.000 0.759 375 K HN -0.112 nan 8.250 nan 0.000 0.469 376 K N 1.374 121.625 120.400 -0.248 0.000 2.458 376 K HA 0.076 4.387 4.320 -0.014 0.000 0.194 376 K C -0.322 176.047 176.600 -0.385 0.000 1.024 376 K CA 0.034 56.150 56.287 -0.284 0.000 1.108 376 K CB -0.164 32.189 32.500 -0.244 0.000 0.846 376 K HN 0.295 nan 8.250 nan 0.000 0.518 377 N N 0.404 118.943 118.700 -0.267 0.000 2.758 377 N HA -0.202 4.530 4.740 -0.014 0.000 0.248 377 N C -0.915 174.353 175.510 -0.404 0.000 1.076 377 N CA 0.851 53.725 53.050 -0.294 0.000 0.696 377 N CB -1.689 36.605 38.487 -0.321 0.000 0.979 377 N HN 0.148 nan 8.380 nan 0.000 0.550 378 F N 0.257 120.156 119.950 -0.086 0.000 2.561 378 F HA 0.677 5.196 4.527 -0.013 0.000 0.321 378 F C 1.027 176.787 175.800 -0.067 0.000 1.065 378 F CA -1.195 56.751 58.000 -0.090 0.000 0.934 378 F CB 1.575 40.513 39.000 -0.104 0.000 1.215 378 F HN -0.038 nan 8.300 nan 0.000 0.471 379 I N -1.101 119.548 120.570 0.133 0.000 2.740 379 I HA 0.457 4.619 4.170 -0.014 0.000 0.303 379 I C -0.249 175.871 176.117 0.004 0.000 1.044 379 I CA -0.606 60.734 61.300 0.068 0.000 1.064 379 I CB 2.181 40.190 38.000 0.016 0.000 1.249 379 I HN 0.652 nan 8.210 nan 0.000 0.433 380 H N 3.773 122.809 119.070 -0.057 0.000 2.348 380 H HA 0.305 4.852 4.556 -0.015 0.000 0.313 380 H C 0.736 175.983 175.328 -0.135 0.000 1.051 380 H CA 1.445 57.416 56.048 -0.129 0.000 1.420 380 H CB 0.646 30.333 29.762 -0.125 0.000 1.484 380 H HN 0.835 nan 8.280 nan 0.000 0.609 381 R N -1.061 119.570 120.500 0.217 0.000 3.728 381 R HA -0.163 4.169 4.340 -0.014 0.000 0.478 381 R C -0.027 176.400 176.300 0.213 0.000 0.932 381 R CA 1.248 57.425 56.100 0.129 0.000 1.317 381 R CB -1.870 28.294 30.300 -0.226 0.000 1.987 381 R HN 0.403 nan 8.270 nan 0.000 0.509 382 N N 0.200 119.163 118.700 0.440 0.000 2.451 382 N HA 0.137 4.869 4.740 -0.014 0.000 0.271 382 N C -1.120 174.407 175.510 0.028 0.000 1.410 382 N CA -0.454 52.757 53.050 0.267 0.000 0.884 382 N CB 0.763 39.448 38.487 0.330 0.000 1.332 382 N HN -0.090 nan 8.380 nan 0.000 0.498 383 L N 2.172 123.329 121.223 -0.110 0.000 2.477 383 L HA 0.514 4.845 4.340 -0.014 0.000 0.272 383 L C -0.147 176.726 176.870 0.004 0.000 1.157 383 L CA 0.338 55.045 54.840 -0.221 0.000 0.889 383 L CB -0.146 41.876 42.059 -0.061 0.000 1.158 383 L HN 0.187 nan 8.230 nan 0.000 0.473 384 A N 3.908 126.707 122.820 -0.036 0.000 2.586 384 A HA 0.687 4.999 4.320 -0.014 0.000 0.291 384 A C 0.524 178.155 177.584 0.078 0.000 1.062 384 A CA -0.145 51.904 52.037 0.020 0.000 0.666 384 A CB 0.142 18.863 19.000 -0.465 0.000 1.281 384 A HN 0.963 nan 8.150 nan 0.000 0.421 385 A N 0.606 123.538 122.820 0.186 0.000 1.908 385 A HA -0.175 4.136 4.320 -0.014 0.000 0.218 385 A C 1.945 179.604 177.584 0.125 0.000 1.181 385 A CA 2.222 54.352 52.037 0.155 0.000 0.627 385 A CB -0.706 18.421 19.000 0.211 0.000 0.818 385 A HN 1.159 nan 8.150 nan 0.000 0.445 386 R N -0.822 119.743 120.500 0.107 0.000 2.193 386 R HA -0.025 4.306 4.340 -0.014 0.000 0.229 386 R C 0.250 176.689 176.300 0.231 0.000 1.110 386 R CA 1.493 57.675 56.100 0.136 0.000 0.988 386 R CB -0.449 29.878 30.300 0.045 0.000 0.871 386 R HN 0.350 nan 8.270 nan 0.000 0.458 387 N N 0.129 118.929 118.700 0.168 0.000 2.279 387 N HA 0.127 4.858 4.740 -0.014 0.000 0.226 387 N C -0.988 174.577 175.510 0.091 0.000 1.126 387 N CA -0.085 53.106 53.050 0.236 0.000 0.846 387 N CB 0.594 39.203 38.487 0.205 0.000 1.050 387 N HN 0.148 nan 8.380 nan 0.000 0.502 388 C N 0.834 120.173 119.300 0.065 0.000 2.456 388 C HA 0.609 5.060 4.460 -0.014 0.000 0.325 388 C C 0.078 175.064 174.990 -0.006 0.000 1.217 388 C CA -0.863 58.156 59.018 0.002 0.000 1.687 388 C CB 1.166 28.904 27.740 -0.003 0.000 2.270 388 C HN 0.194 nan 8.230 nan 0.000 0.499 389 L N 2.605 123.793 121.223 -0.058 0.000 2.362 389 L HA 0.732 5.063 4.340 -0.014 0.000 0.271 389 L C -0.652 176.155 176.870 -0.105 0.000 1.002 389 L CA -0.635 54.154 54.840 -0.085 0.000 0.818 389 L CB 1.592 43.569 42.059 -0.136 0.000 1.298 389 L HN 0.319 nan 8.230 nan 0.000 0.420 390 V N 1.400 121.251 119.914 -0.104 0.000 2.435 390 V HA 0.723 4.835 4.120 -0.014 0.000 0.290 390 V C 0.547 176.617 176.094 -0.040 0.000 1.030 390 V CA -0.261 61.944 62.300 -0.158 0.000 0.881 390 V CB 1.340 32.952 31.823 -0.351 0.000 0.983 390 V HN 0.935 nan 8.190 nan 0.000 0.445 391 G N 2.664 111.433 108.800 -0.051 0.000 3.107 391 G HA2 0.537 4.489 3.960 -0.014 0.000 0.232 391 G HA3 0.537 4.489 3.960 -0.014 0.000 0.232 391 G C -0.546 174.391 174.900 0.061 0.000 1.339 391 G CA -0.561 44.585 45.100 0.078 0.000 1.033 391 G HN 0.520 nan 8.290 nan 0.000 0.567 392 E N 1.120 121.392 120.200 0.121 0.000 2.415 392 E HA 0.035 4.377 4.350 -0.014 0.000 0.262 392 E C -0.075 176.508 176.600 -0.029 0.000 1.038 392 E CA 0.018 56.458 56.400 0.066 0.000 0.921 392 E CB 0.285 30.058 29.700 0.120 0.000 0.950 392 E HN 0.455 nan 8.360 nan 0.000 0.438 393 N N 1.983 120.637 118.700 -0.077 0.000 2.738 393 N HA -0.230 4.501 4.740 -0.014 0.000 0.249 393 N C -0.679 174.913 175.510 0.136 0.000 1.047 393 N CA 1.130 54.222 53.050 0.070 0.000 0.707 393 N CB -1.775 36.828 38.487 0.193 0.000 0.937 393 N HN 0.656 nan 8.380 nan 0.000 0.545 394 H N -3.322 115.738 119.070 -0.018 0.000 2.776 394 H HA -0.202 4.346 4.556 -0.013 0.000 0.300 394 H C 0.533 175.771 175.328 -0.150 0.000 1.161 394 H CA 0.971 56.946 56.048 -0.120 0.000 1.147 394 H CB -1.185 28.550 29.762 -0.044 0.000 1.366 394 H HN 0.449 nan 8.280 nan 0.000 0.397 395 L N 0.608 121.787 121.223 -0.074 0.000 2.367 395 L HA 0.437 4.769 4.340 -0.014 0.000 0.275 395 L C -0.192 176.576 176.870 -0.170 0.000 1.129 395 L CA -0.184 54.586 54.840 -0.116 0.000 0.839 395 L CB 0.844 42.870 42.059 -0.055 0.000 1.133 395 L HN 0.083 nan 8.230 nan 0.000 0.453 396 V N 5.224 125.016 119.914 -0.205 0.000 2.680 396 V HA 0.585 4.697 4.120 -0.014 0.000 0.309 396 V C -0.350 175.665 176.094 -0.133 0.000 1.052 396 V CA -0.898 61.300 62.300 -0.171 0.000 0.908 396 V CB 1.891 33.604 31.823 -0.182 0.000 1.001 396 V HN 0.746 nan 8.190 nan 0.000 0.431 397 K N 2.558 122.894 120.400 -0.107 0.000 2.427 397 K HA 0.679 4.990 4.320 -0.014 0.000 0.252 397 K C -1.345 175.202 176.600 -0.089 0.000 0.931 397 K CA -0.801 55.432 56.287 -0.089 0.000 0.793 397 K CB 2.791 35.247 32.500 -0.074 0.000 1.211 397 K HN 0.400 nan 8.250 nan 0.000 0.426 398 V N 1.936 121.790 119.914 -0.099 0.000 2.649 398 V HA 0.206 4.318 4.120 -0.014 0.000 0.292 398 V C 0.268 176.309 176.094 -0.089 0.000 1.055 398 V CA -0.585 61.651 62.300 -0.107 0.000 1.023 398 V CB 1.287 33.020 31.823 -0.150 0.000 0.992 398 V HN 0.902 nan 8.190 nan 0.000 0.480 399 A N 3.265 126.046 122.820 -0.066 0.000 2.396 399 A HA 0.391 4.702 4.320 -0.014 0.000 0.279 399 A C 0.364 177.848 177.584 -0.167 0.000 1.165 399 A CA -0.494 51.514 52.037 -0.048 0.000 0.824 399 A CB -0.222 18.840 19.000 0.103 0.000 1.100 399 A HN 0.964 nan 8.150 nan 0.000 0.516 400 D N 1.677 121.977 120.400 -0.165 0.000 2.889 400 D HA 0.267 4.899 4.640 -0.014 0.000 0.243 400 D C -0.191 175.925 176.300 -0.307 0.000 1.270 400 D CA -0.431 53.406 54.000 -0.271 0.000 0.838 400 D CB -0.770 39.894 40.800 -0.227 0.000 1.040 400 D HN 0.336 nan 8.370 nan 0.000 0.480 401 F N -1.486 118.352 119.950 -0.186 0.000 2.370 401 F HA 0.628 5.147 4.527 -0.014 0.000 0.324 401 F C 1.446 177.077 175.800 -0.282 0.000 1.116 401 F CA -1.191 56.693 58.000 -0.194 0.000 1.123 401 F CB 0.675 39.617 39.000 -0.096 0.000 1.238 401 F HN 0.051 nan 8.300 nan 0.000 0.536 402 G N 1.826 110.657 108.800 0.053 0.000 2.225 402 G HA2 -0.276 3.675 3.960 -0.014 0.000 0.267 402 G HA3 -0.276 3.675 3.960 -0.014 0.000 0.267 402 G C -0.173 174.579 174.900 -0.247 0.000 1.024 402 G CA 0.193 45.267 45.100 -0.044 0.000 0.784 402 G HN 0.801 nan 8.290 nan 0.000 0.507 403 L N 0.434 121.474 121.223 -0.304 0.000 2.439 403 L HA 0.460 4.791 4.340 -0.014 0.000 0.269 403 L C 0.652 177.442 176.870 -0.133 0.000 1.179 403 L CA 0.092 54.749 54.840 -0.305 0.000 0.828 403 L CB 1.190 42.973 42.059 -0.460 0.000 1.106 403 L HN 0.184 nan 8.230 nan 0.000 0.467 404 S N 1.865 117.532 115.700 -0.056 0.000 2.521 404 S HA 0.497 4.958 4.470 -0.014 0.000 0.295 404 S C -0.630 174.053 174.600 0.138 0.000 1.098 404 S CA -0.864 57.325 58.200 -0.020 0.000 0.999 404 S CB 1.744 64.757 63.200 -0.312 0.000 1.034 404 S HN 0.447 nan 8.310 nan 0.000 0.483 405 R N 1.614 122.166 120.500 0.087 0.000 2.248 405 R HA 0.483 4.814 4.340 -0.014 0.000 0.328 405 R C -1.136 175.109 176.300 -0.092 0.000 1.067 405 R CA -0.470 55.556 56.100 -0.124 0.000 0.924 405 R CB 0.284 30.485 30.300 -0.165 0.000 1.013 405 R HN 0.308 nan 8.270 nan 0.000 0.454 406 L N 4.093 125.244 121.223 -0.119 0.000 2.491 406 L HA 0.325 4.656 4.340 -0.014 0.000 0.267 406 L C -0.847 175.979 176.870 -0.073 0.000 0.971 406 L CA -0.608 54.205 54.840 -0.046 0.000 0.857 406 L CB 1.774 43.840 42.059 0.011 0.000 1.226 406 L HN 0.516 nan 8.230 nan 0.000 0.408 407 M N 3.401 122.961 119.600 -0.066 0.000 2.327 407 M HA 0.032 4.504 4.480 -0.014 0.000 0.353 407 M C 1.695 177.973 176.300 -0.038 0.000 1.539 407 M CA 0.615 55.874 55.300 -0.069 0.000 1.039 407 M CB 0.061 32.629 32.600 -0.053 0.000 1.967 407 M HN 0.754 nan 8.290 nan 0.000 0.459 408 T N 3.047 117.576 114.554 -0.042 0.000 2.701 408 T HA -0.197 4.145 4.350 -0.014 0.000 0.265 408 T C 1.126 175.822 174.700 -0.005 0.000 1.032 408 T CA 2.062 64.152 62.100 -0.017 0.000 1.158 408 T CB -0.324 68.531 68.868 -0.022 0.000 0.854 408 T HN 0.903 nan 8.240 nan 0.000 0.463 409 G N 1.602 110.395 108.800 -0.012 0.000 3.343 409 G HA2 0.437 4.389 3.960 -0.014 0.000 0.264 409 G HA3 0.437 4.389 3.960 -0.014 0.000 0.264 409 G C -0.630 174.270 174.900 0.001 0.000 0.884 409 G CA -0.255 44.842 45.100 -0.005 0.000 1.916 409 G HN 0.320 nan 8.290 nan 0.000 0.618 410 D N -0.708 119.700 120.400 0.013 0.000 2.926 410 D HA 0.344 4.976 4.640 -0.014 0.000 0.272 410 D C -0.699 175.632 176.300 0.051 0.000 1.172 410 D CA -0.280 53.735 54.000 0.025 0.000 0.731 410 D CB 1.430 42.243 40.800 0.021 0.000 1.282 410 D HN 0.296 nan 8.370 nan 0.000 0.430 411 T N -0.755 113.840 114.554 0.068 0.000 2.916 411 T HA 0.669 5.011 4.350 -0.014 0.000 0.292 411 T C -1.347 173.458 174.700 0.174 0.000 1.055 411 T CA -0.565 61.604 62.100 0.114 0.000 1.009 411 T CB 1.312 70.229 68.868 0.082 0.000 1.118 411 T HN 0.320 nan 8.240 nan 0.000 0.497 412 Y N 1.168 121.518 120.300 0.083 0.000 2.387 412 Y HA 0.622 5.163 4.550 -0.014 0.000 0.336 412 Y C -0.480 175.506 175.900 0.143 0.000 1.067 412 Y CA -0.383 57.770 58.100 0.089 0.000 1.114 412 Y CB 2.042 40.553 38.460 0.084 0.000 1.208 412 Y HN 0.806 nan 8.280 nan 0.000 0.458 413 T N 5.757 120.052 114.554 -0.432 0.000 2.809 413 T HA 0.685 5.026 4.350 -0.014 0.000 0.284 413 T C -0.386 173.994 174.700 -0.533 0.000 0.992 413 T CA -0.534 61.408 62.100 -0.263 0.000 0.957 413 T CB 0.858 69.643 68.868 -0.138 0.000 0.942 413 T HN 0.858 nan 8.240 nan 0.000 0.439 414 A N 2.794 125.541 122.820 -0.122 0.000 2.296 414 A HA 0.465 4.777 4.320 -0.014 0.000 0.264 414 A C 0.110 177.652 177.584 -0.070 0.000 1.097 414 A CA -0.506 51.477 52.037 -0.091 0.000 0.811 414 A CB 0.073 19.291 19.000 0.363 0.000 1.072 414 A HN 0.841 nan 8.150 nan 0.000 0.495 415 H N 0.415 119.530 119.070 0.076 0.000 2.848 415 H HA 0.304 4.852 4.556 -0.014 0.000 0.317 415 H C 0.876 176.234 175.328 0.050 0.000 1.046 415 H CA 0.685 56.759 56.048 0.044 0.000 1.470 415 H CB 0.438 30.220 29.762 0.033 0.000 1.483 415 H HN 0.774 nan 8.280 nan 0.000 0.548 416 A N 2.283 125.195 122.820 0.155 0.000 2.546 416 A HA 0.372 4.684 4.320 -0.014 0.000 0.243 416 A C 1.498 179.105 177.584 0.039 0.000 1.063 416 A CA 0.743 52.827 52.037 0.078 0.000 0.757 416 A CB -0.352 18.682 19.000 0.056 0.000 0.991 416 A HN 1.004 nan 8.150 nan 0.000 0.503 417 G N 0.752 109.538 108.800 -0.022 0.000 2.238 417 G HA2 0.184 4.136 3.960 -0.014 0.000 0.217 417 G HA3 0.184 4.136 3.960 -0.014 0.000 0.217 417 G C 0.559 175.402 174.900 -0.096 0.000 0.996 417 G CA 0.243 45.311 45.100 -0.053 0.000 0.632 417 G HN 2.192 nan 8.290 nan 0.000 0.503 418 A N 1.072 123.832 122.820 -0.101 0.000 2.409 418 A HA 0.613 4.925 4.320 -0.014 0.000 0.262 418 A C 0.682 177.970 177.584 -0.494 0.000 1.113 418 A CA 0.733 52.683 52.037 -0.146 0.000 0.790 418 A CB 0.189 19.213 19.000 0.039 0.000 1.046 418 A HN 1.058 nan 8.150 nan 0.000 0.496 419 K N 1.689 121.886 120.400 -0.338 0.000 2.098 419 K HA 0.695 5.006 4.320 -0.014 0.000 0.257 419 K C -1.264 175.180 176.600 -0.260 0.000 0.999 419 K CA -0.249 55.808 56.287 -0.384 0.000 0.924 419 K CB 0.902 33.324 32.500 -0.130 0.000 1.028 419 K HN 0.466 nan 8.250 nan 0.000 0.466 420 F N 0.320 120.337 119.950 0.112 0.000 2.588 420 F HA 0.339 4.857 4.527 -0.015 0.000 0.314 420 F C -1.997 173.893 175.800 0.150 0.000 1.069 420 F CA -2.752 55.341 58.000 0.155 0.000 0.931 420 F CB 2.207 41.332 39.000 0.208 0.000 1.260 420 F HN 0.434 nan 8.300 nan 0.000 0.465 421 P HA 0.093 nan 4.420 nan 0.000 0.260 421 P C 1.007 178.570 177.300 0.439 0.000 1.651 421 P CA -0.025 63.272 63.100 0.328 0.000 1.139 421 P CB 0.096 31.913 31.700 0.194 0.000 1.756 422 I N 2.769 123.541 120.570 0.337 0.000 2.130 422 I HA -0.339 3.822 4.170 -0.014 0.000 0.241 422 I C 2.000 178.266 176.117 0.248 0.000 1.023 422 I CA 1.991 63.441 61.300 0.250 0.000 1.293 422 I CB -1.402 36.683 38.000 0.141 0.000 1.001 422 I HN 0.338 nan 8.210 nan 0.000 0.407 423 K N -1.044 119.535 120.400 0.299 0.000 2.281 423 K HA -0.187 4.124 4.320 -0.014 0.000 0.203 423 K C 1.833 178.537 176.600 0.173 0.000 1.046 423 K CA 1.291 57.667 56.287 0.149 0.000 0.938 423 K CB -0.116 32.349 32.500 -0.059 0.000 0.737 423 K HN 0.517 nan 8.250 nan 0.000 0.458 424 W N 0.812 122.272 121.300 0.267 0.000 3.127 424 W HA 0.125 4.776 4.660 -0.014 0.000 0.344 424 W C -0.092 176.615 176.519 0.312 0.000 1.151 424 W CA -0.258 57.284 57.345 0.328 0.000 1.765 424 W CB 0.521 30.144 29.460 0.270 0.000 1.085 424 W HN -0.179 nan 8.180 nan 0.000 0.596 425 T N 1.526 116.292 114.554 0.354 0.000 2.806 425 T HA 0.495 4.837 4.350 -0.014 0.000 0.290 425 T C 0.444 174.913 174.700 -0.386 0.000 0.966 425 T CA -0.291 61.845 62.100 0.061 0.000 1.060 425 T CB 2.025 70.936 68.868 0.071 0.000 0.927 425 T HN -0.026 nan 8.240 nan 0.000 0.485 426 A N 4.985 127.404 122.820 -0.669 0.000 2.406 426 A HA 0.405 4.716 4.320 -0.014 0.000 0.243 426 A C -1.218 175.804 177.584 -0.936 0.000 1.082 426 A CA -1.222 50.050 52.037 -1.275 0.000 0.786 426 A CB -0.199 18.331 19.000 -0.784 0.000 1.029 426 A HN 0.525 nan 8.150 nan 0.000 0.495 427 P HA -0.246 nan 4.420 nan 0.000 0.213 427 P C 1.453 178.465 177.300 -0.480 0.000 1.170 427 P CA 1.857 64.498 63.100 -0.765 0.000 0.902 427 P CB 0.002 30.773 31.700 -1.549 0.000 0.789 428 E N -0.310 119.574 120.200 -0.527 0.000 2.160 428 E HA -0.161 4.181 4.350 -0.014 0.000 0.195 428 E C 1.629 178.034 176.600 -0.326 0.000 0.991 428 E CA 1.750 57.993 56.400 -0.262 0.000 0.810 428 E CB -1.211 28.384 29.700 -0.175 0.000 0.742 428 E HN 0.190 nan 8.360 nan 0.000 0.466 429 S N 0.994 116.371 115.700 -0.538 0.000 2.395 429 S HA 0.082 4.543 4.470 -0.014 0.000 0.225 429 S C 2.126 176.496 174.600 -0.382 0.000 1.027 429 S CA 0.627 58.363 58.200 -0.775 0.000 0.965 429 S CB -0.160 62.281 63.200 -1.265 0.000 0.812 429 S HN 0.199 nan 8.310 nan 0.000 0.482 430 L N 0.760 121.820 121.223 -0.272 0.000 2.217 430 L HA 0.002 4.334 4.340 -0.014 0.000 0.211 430 L C 2.465 179.180 176.870 -0.258 0.000 1.107 430 L CA 1.075 55.853 54.840 -0.103 0.000 0.783 430 L CB -0.395 41.621 42.059 -0.071 0.000 0.919 430 L HN 0.337 nan 8.230 nan 0.000 0.442 431 A N -1.596 120.950 122.820 -0.457 0.000 2.035 431 A HA 0.043 4.355 4.320 -0.014 0.000 0.208 431 A C 1.342 178.494 177.584 -0.721 0.000 1.206 431 A CA 0.416 52.003 52.037 -0.750 0.000 0.773 431 A CB -0.033 18.306 19.000 -1.101 0.000 0.878 431 A HN 0.429 nan 8.150 nan 0.000 0.469 432 Y N -1.464 118.798 120.300 -0.064 0.000 2.588 432 Y HA 0.224 4.765 4.550 -0.014 0.000 0.247 432 Y C 0.547 176.453 175.900 0.010 0.000 1.157 432 Y CA -0.351 57.731 58.100 -0.029 0.000 1.215 432 Y CB 0.424 38.859 38.460 -0.042 0.000 1.245 432 Y HN 0.279 nan 8.280 nan 0.000 0.534 433 N N 0.937 119.714 118.700 0.128 0.000 2.714 433 N HA -0.207 4.525 4.740 -0.014 0.000 0.250 433 N C -0.880 174.740 175.510 0.184 0.000 1.117 433 N CA 0.805 54.022 53.050 0.277 0.000 0.719 433 N CB -1.011 37.699 38.487 0.372 0.000 1.081 433 N HN 0.407 nan 8.380 nan 0.000 0.557 434 K N -0.132 120.231 120.400 -0.062 0.000 2.156 434 K HA 0.515 4.827 4.320 -0.014 0.000 0.271 434 K C -0.444 175.989 176.600 -0.280 0.000 0.995 434 K CA -0.210 56.074 56.287 -0.004 0.000 0.890 434 K CB 0.840 33.354 32.500 0.023 0.000 1.073 434 K HN -0.057 nan 8.250 nan 0.000 0.454 435 F N 0.220 120.229 119.950 0.098 0.000 2.588 435 F HA 0.425 4.943 4.527 -0.014 0.000 0.314 435 F C 0.383 176.236 175.800 0.089 0.000 1.069 435 F CA -0.569 57.475 58.000 0.074 0.000 0.931 435 F CB 2.228 41.283 39.000 0.092 0.000 1.260 435 F HN 0.624 nan 8.300 nan 0.000 0.465 436 S N 0.797 116.630 115.700 0.222 0.000 2.672 436 S HA 0.417 4.878 4.470 -0.014 0.000 0.271 436 S C 0.057 174.750 174.600 0.154 0.000 1.171 436 S CA -0.694 57.596 58.200 0.151 0.000 0.817 436 S CB 0.988 64.242 63.200 0.091 0.000 1.150 436 S HN 0.574 nan 8.310 nan 0.000 0.478 437 I N 1.409 122.058 120.570 0.132 0.000 2.454 437 I HA 0.011 4.173 4.170 -0.014 0.000 0.254 437 I C 1.915 178.123 176.117 0.151 0.000 1.156 437 I CA 1.596 63.005 61.300 0.182 0.000 1.433 437 I CB -0.437 37.661 38.000 0.164 0.000 1.082 437 I HN 0.602 nan 8.210 nan 0.000 0.432 438 K N 0.427 120.875 120.400 0.079 0.000 2.211 438 K HA -0.022 4.290 4.320 -0.014 0.000 0.203 438 K C 2.240 178.908 176.600 0.114 0.000 1.050 438 K CA 1.392 57.703 56.287 0.040 0.000 0.945 438 K CB -0.696 31.818 32.500 0.023 0.000 0.732 438 K HN 0.579 nan 8.250 nan 0.000 0.451 439 S N 0.638 116.418 115.700 0.134 0.000 2.461 439 S HA -0.058 4.403 4.470 -0.014 0.000 0.228 439 S C 1.405 176.187 174.600 0.304 0.000 1.005 439 S CA 0.701 58.998 58.200 0.162 0.000 0.942 439 S CB -0.000 63.214 63.200 0.024 0.000 0.776 439 S HN 0.092 nan 8.310 nan 0.000 0.514 440 D N 1.819 122.411 120.400 0.319 0.000 2.144 440 D HA 0.013 4.645 4.640 -0.014 0.000 0.200 440 D C 2.038 178.642 176.300 0.505 0.000 0.978 440 D CA 0.675 54.932 54.000 0.428 0.000 0.833 440 D CB -0.465 40.626 40.800 0.485 0.000 0.961 440 D HN 0.274 nan 8.370 nan 0.000 0.470 441 V N 0.815 120.870 119.914 0.234 0.000 2.332 441 V HA -0.210 3.902 4.120 -0.014 0.000 0.248 441 V C 2.150 178.371 176.094 0.212 0.000 1.055 441 V CA 1.344 63.599 62.300 -0.075 0.000 1.038 441 V CB -0.467 31.145 31.823 -0.353 0.000 0.651 441 V HN 0.424 nan 8.190 nan 0.000 0.450 442 W N 1.108 122.489 121.300 0.136 0.000 2.358 442 W HA -0.221 4.431 4.660 -0.015 0.000 0.303 442 W C 2.424 179.155 176.519 0.353 0.000 1.208 442 W CA 2.300 59.789 57.345 0.239 0.000 1.274 442 W CB -0.467 29.093 29.460 0.167 0.000 1.138 442 W HN 0.299 nan 8.180 nan 0.000 0.515 443 A N 0.221 123.435 122.820 0.657 0.000 1.902 443 A HA -0.225 4.087 4.320 -0.014 0.000 0.217 443 A C 1.925 179.806 177.584 0.495 0.000 1.181 443 A CA 1.561 53.970 52.037 0.619 0.000 0.623 443 A CB -1.617 17.708 19.000 0.542 0.000 0.818 443 A HN 0.345 nan 8.150 nan 0.000 0.443 444 F N 1.373 121.527 119.950 0.339 0.000 2.126 444 F HA -0.101 4.418 4.527 -0.014 0.000 0.299 444 F C 2.281 178.188 175.800 0.178 0.000 1.096 444 F CA 1.520 59.692 58.000 0.287 0.000 1.255 444 F CB -0.714 38.519 39.000 0.389 0.000 0.997 444 F HN 0.202 nan 8.300 nan 0.000 0.479 445 G N -0.138 108.693 108.800 0.052 0.000 2.440 445 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.218 445 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.218 445 G C 1.709 176.612 174.900 0.006 0.000 1.154 445 G CA 1.310 46.230 45.100 -0.299 0.000 0.767 445 G HN 0.363 nan 8.290 nan 0.000 0.552 446 V N 0.877 120.975 119.914 0.306 0.000 2.358 446 V HA -0.079 4.033 4.120 -0.014 0.000 0.246 446 V C 2.644 178.857 176.094 0.199 0.000 1.047 446 V CA 1.475 63.921 62.300 0.244 0.000 1.035 446 V CB -0.494 31.313 31.823 -0.026 0.000 0.658 446 V HN 0.406 nan 8.190 nan 0.000 0.452 447 L N -0.591 120.745 121.223 0.189 0.000 2.079 447 L HA -0.179 4.153 4.340 -0.014 0.000 0.210 447 L C 2.367 179.212 176.870 -0.041 0.000 1.081 447 L CA 1.559 56.489 54.840 0.151 0.000 0.752 447 L CB -0.197 41.913 42.059 0.085 0.000 0.896 447 L HN 0.293 nan 8.230 nan 0.000 0.433 448 L N -1.166 119.903 121.223 -0.257 0.000 2.083 448 L HA -0.274 4.058 4.340 -0.014 0.000 0.209 448 L C 2.299 179.153 176.870 -0.026 0.000 1.083 448 L CA 1.848 56.538 54.840 -0.250 0.000 0.752 448 L CB -0.380 41.487 42.059 -0.320 0.000 0.899 448 L HN 0.541 nan 8.230 nan 0.000 0.433 449 W N 1.052 122.301 121.300 -0.085 0.000 2.388 449 W HA -0.186 4.465 4.660 -0.015 0.000 0.294 449 W C 2.361 178.865 176.519 -0.025 0.000 1.212 449 W CA 1.514 58.852 57.345 -0.012 0.000 1.271 449 W CB 0.059 29.562 29.460 0.071 0.000 1.126 449 W HN 0.123 nan 8.180 nan 0.000 0.535 450 E N 0.074 120.425 120.200 0.252 0.000 2.110 450 E HA -0.238 4.103 4.350 -0.014 0.000 0.193 450 E C 2.099 178.668 176.600 -0.051 0.000 0.988 450 E CA 1.698 58.193 56.400 0.158 0.000 0.804 450 E CB -0.455 29.418 29.700 0.288 0.000 0.745 450 E HN 0.368 nan 8.360 nan 0.000 0.458 451 I N 1.181 121.703 120.570 -0.081 0.000 2.202 451 I HA -0.233 3.929 4.170 -0.014 0.000 0.242 451 I C 2.521 178.436 176.117 -0.336 0.000 1.091 451 I CA 0.911 62.106 61.300 -0.176 0.000 1.368 451 I CB -0.278 37.629 38.000 -0.154 0.000 1.058 451 I HN 0.062 nan 8.210 nan 0.000 0.410 452 A N 0.347 122.977 122.820 -0.316 0.000 2.070 452 A HA -0.173 4.139 4.320 -0.014 0.000 0.220 452 A C 2.165 179.484 177.584 -0.443 0.000 1.159 452 A CA 2.071 53.888 52.037 -0.367 0.000 0.656 452 A CB -0.880 17.951 19.000 -0.283 0.000 0.800 452 A HN 0.543 nan 8.150 nan 0.000 0.453 453 T N -7.207 107.048 114.554 -0.498 0.000 3.054 453 T HA 0.250 4.592 4.350 -0.014 0.000 0.255 453 T C 0.271 174.916 174.700 -0.091 0.000 1.035 453 T CA 0.177 62.037 62.100 -0.400 0.000 0.941 453 T CB -0.503 67.916 68.868 -0.749 0.000 1.026 453 T HN 0.498 nan 8.240 nan 0.000 0.533 454 Y N 1.039 121.258 120.300 -0.136 0.000 3.689 454 Y HA -0.099 4.442 4.550 -0.015 0.000 0.221 454 Y C 1.466 177.358 175.900 -0.015 0.000 1.247 454 Y CA 0.885 58.951 58.100 -0.056 0.000 1.671 454 Y CB -1.874 36.552 38.460 -0.057 0.000 1.521 454 Y HN 0.713 nan 8.280 nan 0.000 0.632 455 G N -1.535 107.321 108.800 0.094 0.000 2.163 455 G HA2 -0.289 3.662 3.960 -0.014 0.000 0.213 455 G HA3 -0.289 3.662 3.960 -0.014 0.000 0.213 455 G C 0.394 175.390 174.900 0.160 0.000 0.991 455 G CA -0.104 45.082 45.100 0.144 0.000 0.653 455 G HN 0.355 nan 8.290 nan 0.000 0.518 456 M N 1.092 120.754 119.600 0.105 0.000 2.245 456 M HA 0.296 4.768 4.480 -0.014 0.000 0.312 456 M C 1.219 177.729 176.300 0.349 0.000 1.070 456 M CA 0.563 55.970 55.300 0.178 0.000 1.162 456 M CB 0.637 33.292 32.600 0.092 0.000 1.448 456 M HN 0.223 nan 8.290 nan 0.000 0.446 457 S N 2.060 117.953 115.700 0.322 0.000 2.523 457 S HA 0.344 4.805 4.470 -0.014 0.000 0.275 457 S C -2.255 172.487 174.600 0.238 0.000 1.281 457 S CA -1.580 56.795 58.200 0.293 0.000 1.050 457 S CB 0.508 63.841 63.200 0.222 0.000 0.937 457 S HN 0.276 nan 8.310 nan 0.000 0.492 458 P HA 0.086 nan 4.420 nan 0.000 0.269 458 P C -0.859 176.249 177.300 -0.320 0.000 1.217 458 P CA 0.132 62.920 63.100 -0.520 0.000 0.783 458 P CB -0.072 31.181 31.700 -0.744 0.000 0.898 459 Y N -1.522 118.436 120.300 -0.570 0.000 2.980 459 Y HA -0.181 4.361 4.550 -0.014 0.000 0.199 459 Y C -1.440 174.392 175.900 -0.114 0.000 1.319 459 Y CA -0.467 57.457 58.100 -0.294 0.000 0.877 459 Y CB -2.155 36.173 38.460 -0.220 0.000 1.259 459 Y HN 0.361 nan 8.280 nan 0.000 0.437 460 P HA 0.190 nan 4.420 nan 0.000 0.268 460 P C 1.026 178.379 177.300 0.088 0.000 1.204 460 P CA 1.300 64.461 63.100 0.102 0.000 0.768 460 P CB 1.398 33.190 31.700 0.153 0.000 0.842 461 G N 2.487 111.329 108.800 0.070 0.000 2.198 461 G HA2 -0.204 3.748 3.960 -0.014 0.000 0.257 461 G HA3 -0.204 3.748 3.960 -0.014 0.000 0.257 461 G C -0.156 174.755 174.900 0.018 0.000 1.042 461 G CA -0.125 45.002 45.100 0.044 0.000 0.791 461 G HN 0.560 nan 8.290 nan 0.000 0.502 462 I N 0.955 121.538 120.570 0.022 0.000 2.571 462 I HA 0.258 4.419 4.170 -0.014 0.000 0.289 462 I C -0.808 175.299 176.117 -0.017 0.000 1.115 462 I CA -1.188 60.101 61.300 -0.018 0.000 1.045 462 I CB 1.917 39.900 38.000 -0.029 0.000 1.238 462 I HN 0.192 nan 8.210 nan 0.000 0.424 463 D N 7.009 127.390 120.400 -0.032 0.000 2.304 463 D HA 0.183 4.814 4.640 -0.014 0.000 0.250 463 D C 1.155 177.431 176.300 -0.039 0.000 1.107 463 D CA -0.542 53.446 54.000 -0.021 0.000 0.885 463 D CB 1.994 42.785 40.800 -0.015 0.000 1.192 463 D HN 0.469 nan 8.370 nan 0.000 0.436 464 L N 1.659 122.869 121.223 -0.021 0.000 2.211 464 L HA -0.291 4.040 4.340 -0.014 0.000 0.216 464 L C 2.371 179.222 176.870 -0.031 0.000 1.092 464 L CA 1.772 56.596 54.840 -0.027 0.000 0.767 464 L CB -0.825 41.243 42.059 0.015 0.000 0.894 464 L HN 0.477 nan 8.230 nan 0.000 0.437 465 S N -1.330 114.355 115.700 -0.024 0.000 2.515 465 S HA -0.130 4.332 4.470 -0.014 0.000 0.231 465 S C 1.624 176.211 174.600 -0.022 0.000 0.987 465 S CA 0.527 58.714 58.200 -0.020 0.000 0.936 465 S CB -0.032 63.157 63.200 -0.018 0.000 0.766 465 S HN 0.577 nan 8.310 nan 0.000 0.528 466 Q N 0.026 119.800 119.800 -0.043 0.000 2.280 466 Q HA 0.257 4.589 4.340 -0.014 0.000 0.228 466 Q C 1.735 177.688 176.000 -0.079 0.000 0.857 466 Q CA 0.105 55.876 55.803 -0.053 0.000 0.939 466 Q CB 0.185 28.877 28.738 -0.077 0.000 1.114 466 Q HN 0.410 nan 8.270 nan 0.000 0.514 467 V N 0.740 120.582 119.914 -0.121 0.000 2.231 467 V HA -0.347 3.764 4.120 -0.014 0.000 0.250 467 V C 1.934 177.965 176.094 -0.105 0.000 1.058 467 V CA 2.339 64.504 62.300 -0.224 0.000 1.022 467 V CB -0.705 30.917 31.823 -0.335 0.000 0.640 467 V HN 0.401 nan 8.190 nan 0.000 0.445 468 Y N 0.852 121.080 120.300 -0.119 0.000 2.128 468 Y HA -0.310 4.232 4.550 -0.014 0.000 0.284 468 Y C 2.770 178.681 175.900 0.017 0.000 1.154 468 Y CA 2.443 60.515 58.100 -0.047 0.000 1.149 468 Y CB -0.260 38.169 38.460 -0.053 0.000 0.976 468 Y HN 0.430 nan 8.280 nan 0.000 0.505 469 E N -0.024 120.260 120.200 0.140 0.000 2.058 469 E HA -0.250 4.091 4.350 -0.014 0.000 0.194 469 E C 2.109 178.692 176.600 -0.029 0.000 0.997 469 E CA 1.862 58.298 56.400 0.061 0.000 0.801 469 E CB -0.423 29.302 29.700 0.043 0.000 0.746 469 E HN 0.606 nan 8.360 nan 0.000 0.450 470 L N 0.534 121.729 121.223 -0.046 0.000 2.017 470 L HA -0.191 4.141 4.340 -0.014 0.000 0.208 470 L C 2.714 179.632 176.870 0.081 0.000 1.073 470 L CA 0.881 55.705 54.840 -0.027 0.000 0.745 470 L CB -0.390 41.589 42.059 -0.134 0.000 0.894 470 L HN 0.263 nan 8.230 nan 0.000 0.432 471 L N -0.307 120.949 121.223 0.056 0.000 2.042 471 L HA -0.259 4.072 4.340 -0.014 0.000 0.210 471 L C 2.571 179.510 176.870 0.115 0.000 1.076 471 L CA 1.486 56.413 54.840 0.144 0.000 0.749 471 L CB -0.540 41.578 42.059 0.099 0.000 0.893 471 L HN 0.363 nan 8.230 nan 0.000 0.432 472 E N 0.716 120.862 120.200 -0.091 0.000 2.265 472 E HA -0.205 4.137 4.350 -0.014 0.000 0.196 472 E C 1.296 177.709 176.600 -0.313 0.000 0.996 472 E CA 0.974 57.129 56.400 -0.409 0.000 0.832 472 E CB 0.203 29.679 29.700 -0.374 0.000 0.756 472 E HN 0.399 nan 8.360 nan 0.000 0.491 473 K N 0.483 120.811 120.400 -0.120 0.000 2.500 473 K HA 0.012 4.324 4.320 -0.014 0.000 0.206 473 K C -0.199 176.397 176.600 -0.006 0.000 1.034 473 K CA 0.454 56.699 56.287 -0.070 0.000 1.179 473 K CB 0.380 32.867 32.500 -0.022 0.000 0.884 473 K HN 0.049 nan 8.250 nan 0.000 0.493 474 D N -0.091 120.310 120.400 0.001 0.000 3.059 474 D HA -0.263 4.368 4.640 -0.014 0.000 0.220 474 D C -0.641 175.720 176.300 0.102 0.000 1.169 474 D CA 0.627 54.663 54.000 0.060 0.000 0.902 474 D CB -1.364 39.449 40.800 0.021 0.000 1.116 474 D HN 0.438 nan 8.370 nan 0.000 0.417 475 Y N 0.876 121.194 120.300 0.030 0.000 2.336 475 Y HA 0.548 5.089 4.550 -0.014 0.000 0.331 475 Y C 0.270 176.202 175.900 0.053 0.000 1.211 475 Y CA 0.066 58.189 58.100 0.038 0.000 1.346 475 Y CB 0.586 39.058 38.460 0.019 0.000 1.271 475 Y HN -0.068 nan 8.280 nan 0.000 0.538 476 R N 5.237 125.140 120.500 -0.995 0.000 2.707 476 R HA 0.296 4.628 4.340 -0.014 0.000 0.272 476 R C -1.026 174.750 176.300 -0.874 0.000 1.011 476 R CA -1.138 54.542 56.100 -0.700 0.000 0.893 476 R CB 1.742 31.895 30.300 -0.246 0.000 1.233 476 R HN 0.878 nan 8.270 nan 0.000 0.464 477 M N 1.813 120.988 119.600 -0.708 0.000 2.245 477 M HA -0.006 4.466 4.480 -0.014 0.000 0.335 477 M C 0.537 176.821 176.300 -0.026 0.000 1.155 477 M CA 1.096 56.104 55.300 -0.487 0.000 1.055 477 M CB 0.174 32.201 32.600 -0.956 0.000 1.670 477 M HN 0.262 nan 8.290 nan 0.000 0.447 478 E N 1.371 121.599 120.200 0.047 0.000 2.392 478 E HA 0.121 4.462 4.350 -0.014 0.000 0.259 478 E C -0.166 176.436 176.600 0.003 0.000 1.108 478 E CA -0.455 55.973 56.400 0.048 0.000 0.916 478 E CB 0.536 30.261 29.700 0.042 0.000 0.989 478 E HN 0.430 nan 8.360 nan 0.000 0.432 479 R N 2.523 122.689 120.500 -0.557 0.000 2.404 479 R HA 0.072 4.404 4.340 -0.014 0.000 0.315 479 R C -2.212 173.954 176.300 -0.224 0.000 1.032 479 R CA -1.236 54.395 56.100 -0.783 0.000 0.992 479 R CB 0.043 29.668 30.300 -1.126 0.000 0.959 479 R HN 0.199 nan 8.270 nan 0.000 0.428 480 P HA -0.122 nan 4.420 nan 0.000 0.266 480 P C -0.912 176.311 177.300 -0.128 0.000 1.193 480 P CA 0.073 63.076 63.100 -0.161 0.000 0.770 480 P CB 0.480 31.972 31.700 -0.347 0.000 0.836 481 E N 1.652 121.793 120.200 -0.099 0.000 2.465 481 E HA 0.085 4.427 4.350 -0.014 0.000 0.260 481 E C 1.158 177.726 176.600 -0.054 0.000 0.980 481 E CA 0.877 57.239 56.400 -0.063 0.000 0.927 481 E CB -0.496 29.180 29.700 -0.040 0.000 0.934 481 E HN 0.760 nan 8.360 nan 0.000 0.459 482 G N 3.418 112.194 108.800 -0.039 0.000 2.189 482 G HA2 -0.356 3.595 3.960 -0.014 0.000 0.267 482 G HA3 -0.356 3.595 3.960 -0.014 0.000 0.267 482 G C 0.390 175.278 174.900 -0.020 0.000 0.975 482 G CA 0.230 45.316 45.100 -0.022 0.000 0.644 482 G HN 0.743 nan 8.290 nan 0.000 0.537 483 C N 4.112 123.389 119.300 -0.039 0.000 2.624 483 C HA 0.556 5.007 4.460 -0.014 0.000 0.397 483 C C -0.926 174.084 174.990 0.033 0.000 1.331 483 C CA -1.846 57.165 59.018 -0.013 0.000 1.716 483 C CB 0.033 27.753 27.740 -0.033 0.000 2.452 483 C HN 0.464 nan 8.230 nan 0.000 0.586 484 P HA 0.024 nan 4.420 nan 0.000 0.265 484 P C 0.470 177.836 177.300 0.110 0.000 1.193 484 P CA 0.734 63.907 63.100 0.121 0.000 0.765 484 P CB 0.583 32.428 31.700 0.243 0.000 0.823 485 E N 4.112 124.360 120.200 0.080 0.000 2.147 485 E HA -0.250 4.091 4.350 -0.014 0.000 0.199 485 E C 1.555 178.193 176.600 0.064 0.000 1.005 485 E CA 2.005 58.458 56.400 0.089 0.000 0.810 485 E CB -0.464 29.268 29.700 0.052 0.000 0.736 485 E HN 0.390 nan 8.360 nan 0.000 0.460 486 K N -0.696 119.705 120.400 0.001 0.000 2.103 486 K HA -0.100 4.211 4.320 -0.014 0.000 0.207 486 K C 2.067 178.627 176.600 -0.066 0.000 1.048 486 K CA 1.391 57.626 56.287 -0.086 0.000 0.930 486 K CB -0.043 32.325 32.500 -0.221 0.000 0.716 486 K HN 0.055 nan 8.250 nan 0.000 0.444 487 V N 0.105 120.044 119.914 0.042 0.000 2.453 487 V HA -0.216 3.896 4.120 -0.014 0.000 0.247 487 V C 1.913 178.023 176.094 0.025 0.000 1.048 487 V CA 1.359 63.703 62.300 0.074 0.000 1.049 487 V CB -0.504 31.436 31.823 0.195 0.000 0.672 487 V HN 0.273 nan 8.190 nan 0.000 0.457 488 Y N 1.516 121.781 120.300 -0.059 0.000 2.293 488 Y HA -0.167 4.374 4.550 -0.014 0.000 0.291 488 Y C 2.435 178.248 175.900 -0.146 0.000 1.137 488 Y CA 1.633 59.684 58.100 -0.083 0.000 1.202 488 Y CB -0.150 38.296 38.460 -0.024 0.000 0.990 488 Y HN 0.381 nan 8.280 nan 0.000 0.537 489 E N -0.154 119.922 120.200 -0.207 0.000 2.204 489 E HA -0.181 4.161 4.350 -0.014 0.000 0.194 489 E C 2.232 178.621 176.600 -0.352 0.000 0.989 489 E CA 0.844 57.064 56.400 -0.299 0.000 0.824 489 E CB -0.202 29.398 29.700 -0.166 0.000 0.756 489 E HN 0.482 nan 8.360 nan 0.000 0.477 490 L N 0.432 121.459 121.223 -0.326 0.000 2.109 490 L HA -0.138 4.194 4.340 -0.014 0.000 0.207 490 L C 2.344 178.926 176.870 -0.480 0.000 1.086 490 L CA 0.885 55.512 54.840 -0.355 0.000 0.760 490 L CB -0.066 41.785 42.059 -0.347 0.000 0.910 490 L HN 0.238 nan 8.230 nan 0.000 0.437 491 M N -0.789 118.444 119.600 -0.611 0.000 2.080 491 M HA -0.270 4.202 4.480 -0.014 0.000 0.260 491 M C 2.297 177.771 176.300 -1.377 0.000 1.068 491 M CA 1.887 56.516 55.300 -1.118 0.000 1.109 491 M CB -0.442 31.458 32.600 -1.166 0.000 1.342 491 M HN 0.149 nan 8.290 nan 0.000 0.405 492 R N -0.008 119.935 120.500 -0.929 0.000 2.152 492 R HA -0.088 4.244 4.340 -0.014 0.000 0.232 492 R C 2.264 178.344 176.300 -0.367 0.000 1.117 492 R CA 1.334 57.113 56.100 -0.535 0.000 0.981 492 R CB -0.447 29.575 30.300 -0.463 0.000 0.870 492 R HN 0.403 nan 8.270 nan 0.000 0.451 493 A N 0.164 122.749 122.820 -0.391 0.000 1.929 493 A HA -0.119 4.193 4.320 -0.014 0.000 0.216 493 A C 2.210 179.637 177.584 -0.261 0.000 1.176 493 A CA 0.991 52.872 52.037 -0.261 0.000 0.628 493 A CB -0.456 18.397 19.000 -0.245 0.000 0.816 493 A HN 0.416 nan 8.150 nan 0.000 0.444 494 C N -2.176 116.871 119.300 -0.421 0.000 2.446 494 C HA -0.050 4.401 4.460 -0.014 0.000 0.279 494 C C 1.303 176.092 174.990 -0.334 0.000 1.366 494 C CA -0.306 58.485 59.018 -0.378 0.000 1.763 494 C CB -1.383 26.068 27.740 -0.481 0.000 1.929 494 C HN 0.802 nan 8.230 nan 0.000 0.509 495 W N 1.173 122.162 121.300 -0.519 0.000 3.213 495 W HA 0.315 4.966 4.660 -0.015 0.000 0.430 495 W C 0.427 176.812 176.519 -0.223 0.000 0.975 495 W CA -0.574 56.235 57.345 -0.893 0.000 2.015 495 W CB -1.171 27.708 29.460 -0.968 0.000 1.047 495 W HN 0.374 nan 8.180 nan 0.000 0.797 496 Q N 0.162 120.062 119.800 0.167 0.000 2.332 496 Q HA -0.072 4.260 4.340 -0.014 0.000 0.263 496 Q C 1.456 177.711 176.000 0.425 0.000 0.979 496 Q CA -0.054 55.894 55.803 0.243 0.000 0.885 496 Q CB 1.156 29.971 28.738 0.130 0.000 1.218 496 Q HN 0.342 nan 8.270 nan 0.000 0.405 497 W N 4.154 125.600 121.300 0.243 0.000 2.335 497 W HA -0.177 4.475 4.660 -0.014 0.000 0.311 497 W C -0.262 176.338 176.519 0.137 0.000 1.213 497 W CA 1.069 58.533 57.345 0.198 0.000 1.274 497 W CB 0.317 29.833 29.460 0.094 0.000 1.148 497 W HN 0.521 nan 8.180 nan 0.000 0.498 498 N N 2.010 120.876 118.700 0.278 0.000 2.458 498 N HA 0.026 4.758 4.740 -0.014 0.000 0.270 498 N C -1.451 174.101 175.510 0.070 0.000 1.102 498 N CA -0.939 52.195 53.050 0.141 0.000 0.967 498 N CB 0.645 39.238 38.487 0.177 0.000 1.078 498 N HN 0.059 nan 8.380 nan 0.000 0.471 499 P HA -0.160 nan 4.420 nan 0.000 0.216 499 P C 1.177 178.491 177.300 0.023 0.000 1.150 499 P CA 1.376 64.488 63.100 0.020 0.000 0.837 499 P CB 0.208 31.900 31.700 -0.014 0.000 0.786 500 S N -0.951 114.763 115.700 0.024 0.000 2.447 500 S HA -0.112 4.349 4.470 -0.014 0.000 0.233 500 S C 1.521 176.129 174.600 0.013 0.000 1.006 500 S CA 1.031 59.240 58.200 0.014 0.000 0.957 500 S CB -1.035 62.175 63.200 0.017 0.000 0.773 500 S HN 0.022 nan 8.310 nan 0.000 0.507 501 D N 1.430 121.850 120.400 0.033 0.000 2.349 501 D HA 0.144 4.775 4.640 -0.014 0.000 0.224 501 D C 0.486 176.788 176.300 0.003 0.000 1.029 501 D CA 0.248 54.264 54.000 0.027 0.000 0.879 501 D CB 0.068 40.904 40.800 0.060 0.000 0.906 501 D HN 0.522 nan 8.370 nan 0.000 0.528 502 R N 1.476 121.975 120.500 -0.002 0.000 2.459 502 R HA 0.293 4.624 4.340 -0.014 0.000 0.281 502 R C -2.153 174.091 176.300 -0.094 0.000 1.050 502 R CA -1.415 54.660 56.100 -0.042 0.000 1.055 502 R CB 0.730 31.022 30.300 -0.013 0.000 1.045 502 R HN -0.001 nan 8.270 nan 0.000 0.495 503 P HA -0.011 nan 4.420 nan 0.000 0.272 503 P C -0.567 176.602 177.300 -0.218 0.000 1.240 503 P CA -0.300 62.703 63.100 -0.161 0.000 0.791 503 P CB 0.954 32.544 31.700 -0.184 0.000 0.978 504 S N 0.178 115.772 115.700 -0.176 0.000 2.669 504 S HA 0.254 4.716 4.470 -0.014 0.000 0.270 504 S C 1.013 175.478 174.600 -0.225 0.000 1.225 504 S CA -0.377 57.712 58.200 -0.185 0.000 0.991 504 S CB -0.001 63.158 63.200 -0.068 0.000 0.987 504 S HN 0.228 nan 8.310 nan 0.000 0.552 505 F N 0.686 120.589 119.950 -0.080 0.000 2.293 505 F HA 0.118 4.636 4.527 -0.014 0.000 0.300 505 F C 2.705 178.463 175.800 -0.070 0.000 1.086 505 F CA 0.977 58.904 58.000 -0.122 0.000 1.375 505 F CB -1.088 37.830 39.000 -0.137 0.000 1.045 505 F HN 0.775 nan 8.300 nan 0.000 0.516 506 A N -0.082 122.809 122.820 0.119 0.000 1.902 506 A HA -0.191 4.121 4.320 -0.014 0.000 0.217 506 A C 2.124 179.751 177.584 0.073 0.000 1.181 506 A CA 1.766 53.859 52.037 0.092 0.000 0.623 506 A CB -0.654 18.379 19.000 0.055 0.000 0.818 506 A HN 0.426 nan 8.150 nan 0.000 0.443 507 E N -0.496 119.707 120.200 0.006 0.000 2.152 507 E HA -0.058 4.284 4.350 -0.014 0.000 0.192 507 E C 1.813 178.371 176.600 -0.070 0.000 0.983 507 E CA 0.807 57.184 56.400 -0.038 0.000 0.818 507 E CB -0.204 29.451 29.700 -0.076 0.000 0.758 507 E HN 0.690 nan 8.360 nan 0.000 0.467 508 I N 0.860 121.386 120.570 -0.074 0.000 2.202 508 I HA -0.272 3.889 4.170 -0.014 0.000 0.242 508 I C 2.705 178.815 176.117 -0.012 0.000 1.091 508 I CA 1.120 62.341 61.300 -0.131 0.000 1.368 508 I CB -0.337 37.576 38.000 -0.145 0.000 1.058 508 I HN 0.252 nan 8.210 nan 0.000 0.410 509 H N 0.693 119.797 119.070 0.057 0.000 2.353 509 H HA -0.233 4.315 4.556 -0.014 0.000 0.300 509 H C 2.204 177.613 175.328 0.134 0.000 1.090 509 H CA 1.996 58.148 56.048 0.173 0.000 1.327 509 H CB 0.239 30.070 29.762 0.113 0.000 1.383 509 H HN 0.269 nan 8.280 nan 0.000 0.508 510 Q N 0.960 120.788 119.800 0.047 0.000 2.124 510 Q HA -0.047 4.285 4.340 -0.014 0.000 0.202 510 Q C 2.368 178.320 176.000 -0.081 0.000 0.977 510 Q CA 1.824 57.610 55.803 -0.029 0.000 0.850 510 Q CB -0.520 28.225 28.738 0.011 0.000 0.901 510 Q HN 0.489 nan 8.270 nan 0.000 0.429 511 A N -0.495 122.246 122.820 -0.132 0.000 1.940 511 A HA -0.153 4.159 4.320 -0.014 0.000 0.219 511 A C 1.817 179.282 177.584 -0.198 0.000 1.176 511 A CA 1.519 53.423 52.037 -0.221 0.000 0.631 511 A CB -0.903 17.886 19.000 -0.351 0.000 0.814 511 A HN 0.471 nan 8.150 nan 0.000 0.446 512 F N 0.438 120.345 119.950 -0.072 0.000 2.146 512 F HA -0.078 4.441 4.527 -0.013 0.000 0.298 512 F C 2.455 178.238 175.800 -0.030 0.000 1.096 512 F CA 1.435 59.421 58.000 -0.023 0.000 1.275 512 F CB -0.304 38.694 39.000 -0.003 0.000 1.008 512 F HN 0.222 nan 8.300 nan 0.000 0.480 513 E N -0.518 119.725 120.200 0.072 0.000 2.204 513 E HA -0.128 4.214 4.350 -0.014 0.000 0.194 513 E C 1.894 178.501 176.600 0.011 0.000 0.989 513 E CA 1.683 58.090 56.400 0.012 0.000 0.824 513 E CB -0.798 28.856 29.700 -0.077 0.000 0.756 513 E HN 0.449 nan 8.360 nan 0.000 0.477 514 T N -2.795 111.744 114.554 -0.024 0.000 3.134 514 T HA 0.259 4.601 4.350 -0.014 0.000 0.260 514 T C 1.488 176.121 174.700 -0.113 0.000 1.027 514 T CA -0.226 61.840 62.100 -0.057 0.000 0.913 514 T CB 0.051 68.878 68.868 -0.069 0.000 1.046 514 T HN -0.059 nan 8.240 nan 0.000 0.553 515 M N 0.550 120.073 119.600 -0.129 0.000 2.334 515 M HA 0.356 4.827 4.480 -0.014 0.000 0.266 515 M C -0.512 175.355 176.300 -0.722 0.000 1.082 515 M CA 1.155 56.197 55.300 -0.430 0.000 1.141 515 M CB 0.273 32.600 32.600 -0.456 0.000 1.380 515 M HN 0.307 nan 8.290 nan 0.000 0.440 516 F N -0.287 119.655 119.950 -0.012 0.000 2.577 516 F HA 0.305 4.824 4.527 -0.014 0.000 0.342 516 F C 0.707 176.472 175.800 -0.057 0.000 1.479 516 F CA -0.572 57.413 58.000 -0.025 0.000 1.110 516 F CB 0.081 39.074 39.000 -0.011 0.000 1.306 516 F HN 0.019 nan 8.300 nan 0.000 0.554 517 Q N -0.269 119.548 119.800 0.028 0.000 2.432 517 Q HA -0.003 4.329 4.340 -0.014 0.000 0.205 517 Q C 1.123 177.108 176.000 -0.024 0.000 0.945 517 Q CA 0.748 56.536 55.803 -0.025 0.000 0.924 517 Q CB 0.407 29.118 28.738 -0.045 0.000 1.016 517 Q HN 0.403 nan 8.270 nan 0.000 0.503 518 E N 0.323 120.527 120.200 0.007 0.000 2.228 518 E HA 0.058 4.399 4.350 -0.014 0.000 0.197 518 E C 0.980 177.595 176.600 0.025 0.000 0.909 518 E CA 0.755 57.158 56.400 0.007 0.000 0.911 518 E CB 0.446 30.147 29.700 0.001 0.000 0.887 518 E HN 0.201 nan 8.360 nan 0.000 0.481 519 S N 0.102 115.841 115.700 0.064 0.000 2.801 519 S HA 0.579 5.041 4.470 -0.014 0.000 0.312 519 S C 0.146 174.802 174.600 0.093 0.000 1.112 519 S CA -0.611 57.625 58.200 0.061 0.000 0.943 519 S CB 1.668 64.908 63.200 0.066 0.000 1.269 519 S HN 0.037 nan 8.310 nan 0.000 0.558 520 S N -0.473 115.245 115.700 0.030 0.000 2.549 520 S HA 0.468 4.930 4.470 -0.014 0.000 0.297 520 S C 0.894 175.412 174.600 -0.136 0.000 1.115 520 S CA -0.872 57.299 58.200 -0.048 0.000 1.059 520 S CB 0.698 63.847 63.200 -0.085 0.000 1.046 520 S HN 0.829 nan 8.310 nan 0.000 0.506 521 I N 1.982 122.248 120.570 -0.507 0.000 2.399 521 I HA -0.222 3.940 4.170 -0.014 0.000 0.254 521 I C 1.822 177.764 176.117 -0.293 0.000 1.146 521 I CA 1.445 62.263 61.300 -0.803 0.000 1.412 521 I CB -0.265 36.967 38.000 -1.281 0.000 1.076 521 I HN 0.804 nan 8.210 nan 0.000 0.432 522 S N 0.699 116.279 115.700 -0.201 0.000 2.368 522 S HA -0.175 4.286 4.470 -0.014 0.000 0.224 522 S C 1.542 176.106 174.600 -0.061 0.000 1.029 522 S CA 1.487 59.621 58.200 -0.110 0.000 0.988 522 S CB -0.373 62.770 63.200 -0.095 0.000 0.838 522 S HN 0.552 nan 8.310 nan 0.000 0.462 523 D N 1.200 121.572 120.400 -0.047 0.000 2.144 523 D HA -0.069 4.563 4.640 -0.014 0.000 0.200 523 D C 1.985 178.294 176.300 0.014 0.000 0.978 523 D CA 0.760 54.752 54.000 -0.014 0.000 0.833 523 D CB -0.240 40.556 40.800 -0.007 0.000 0.961 523 D HN 0.312 nan 8.370 nan 0.000 0.470 524 E N 0.681 120.906 120.200 0.043 0.000 2.051 524 E HA -0.101 4.241 4.350 -0.014 0.000 0.192 524 E C 2.467 179.099 176.600 0.053 0.000 0.991 524 E CA 0.385 56.840 56.400 0.091 0.000 0.799 524 E CB -0.260 29.577 29.700 0.229 0.000 0.748 524 E HN 0.145 nan 8.360 nan 0.000 0.449 525 V N 1.444 121.370 119.914 0.020 0.000 2.407 525 V HA -0.233 3.879 4.120 -0.014 0.000 0.248 525 V C 2.432 178.528 176.094 0.003 0.000 1.055 525 V CA 1.882 64.185 62.300 0.006 0.000 1.049 525 V CB -0.454 31.358 31.823 -0.019 0.000 0.662 525 V HN 0.292 nan 8.190 nan 0.000 0.455 526 E N 0.068 120.267 120.200 -0.002 0.000 2.110 526 E HA -0.254 4.088 4.350 -0.014 0.000 0.193 526 E C 2.265 178.867 176.600 0.003 0.000 0.988 526 E CA 1.309 57.707 56.400 -0.003 0.000 0.804 526 E CB 0.009 29.705 29.700 -0.008 0.000 0.745 526 E HN 0.567 nan 8.360 nan 0.000 0.458 527 K N 0.038 120.444 120.400 0.010 0.000 2.103 527 K HA -0.087 4.224 4.320 -0.014 0.000 0.204 527 K C 2.053 178.659 176.600 0.009 0.000 1.052 527 K CA 0.877 57.171 56.287 0.012 0.000 0.945 527 K CB 0.112 32.624 32.500 0.019 0.000 0.722 527 K HN 0.034 nan 8.250 nan 0.000 0.443 528 E N 0.867 121.074 120.200 0.012 0.000 2.153 528 E HA -0.142 4.200 4.350 -0.014 0.000 0.194 528 E C 1.966 178.564 176.600 -0.003 0.000 0.988 528 E CA 0.967 57.370 56.400 0.005 0.000 0.811 528 E CB 0.038 29.742 29.700 0.006 0.000 0.746 528 E HN 0.317 nan 8.360 nan 0.000 0.466 529 L N -1.197 120.025 121.223 -0.002 0.000 2.187 529 L HA 0.220 4.552 4.340 -0.014 0.000 0.197 529 L C 1.361 178.228 176.870 -0.004 0.000 1.090 529 L CA 0.792 55.629 54.840 -0.005 0.000 0.781 529 L CB -0.030 42.026 42.059 -0.006 0.000 0.956 529 L HN 0.125 nan 8.230 nan 0.000 0.463 530 G N 0.000 108.798 108.800 -0.003 0.000 5.446 530 G HA2 0.000 3.952 3.960 -0.014 0.000 0.244 530 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 530 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 530 G HN 0.000 nan 8.290 nan 0.000 0.925