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 2jgm_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.622 176.600 0.036 0.000 1.382 4 E CA 0.000 56.416 56.400 0.027 0.000 0.976 4 E CB 0.000 29.715 29.700 0.025 0.000 0.812 5 D N 5.179 125.608 120.400 0.048 0.000 2.346 5 D HA 0.114 4.771 4.640 0.029 0.000 0.260 5 D C -1.386 174.952 176.300 0.062 0.000 1.252 5 D CA -1.948 52.094 54.000 0.070 0.000 0.895 5 D CB 1.356 42.222 40.800 0.110 0.000 1.097 5 D HN 0.244 nan 8.370 nan 0.000 0.489 6 P HA -0.092 nan 4.420 nan 0.000 0.233 6 P C 0.982 178.294 177.300 0.021 0.000 1.167 6 P CA 0.505 63.621 63.100 0.026 0.000 0.770 6 P CB 0.556 32.260 31.700 0.008 0.000 0.837 7 Q N -0.265 119.539 119.800 0.007 0.000 2.297 7 Q HA 0.064 4.421 4.340 0.029 0.000 0.204 7 Q C 1.638 177.701 176.000 0.105 0.000 0.962 7 Q CA 0.833 56.617 55.803 -0.032 0.000 0.879 7 Q CB -0.160 28.420 28.738 -0.263 0.000 0.947 7 Q HN 0.420 nan 8.270 nan 0.000 0.462 8 L N 0.637 121.942 121.223 0.137 0.000 2.848 8 L HA 0.261 4.619 4.340 0.029 0.000 0.240 8 L C -0.267 176.752 176.870 0.249 0.000 1.232 8 L CA -0.254 54.688 54.840 0.170 0.000 1.031 8 L CB 0.266 42.360 42.059 0.058 0.000 1.338 8 L HN -0.018 nan 8.230 nan 0.000 0.509 9 L N 0.589 121.943 121.223 0.218 0.000 2.439 9 L HA 0.628 4.985 4.340 0.029 0.000 0.270 9 L C -0.860 176.035 176.870 0.041 0.000 0.972 9 L CA -0.339 54.590 54.840 0.148 0.000 0.836 9 L CB 2.091 44.197 42.059 0.078 0.000 1.255 9 L HN -0.233 nan 8.230 nan 0.000 0.404 10 V N 3.599 123.503 119.914 -0.016 0.000 2.841 10 V HA 0.559 4.696 4.120 0.029 0.000 0.310 10 V C -0.512 175.507 176.094 -0.125 0.000 1.090 10 V CA -0.848 61.310 62.300 -0.238 0.000 0.930 10 V CB 1.975 33.357 31.823 -0.735 0.000 1.014 10 V HN 0.711 nan 8.190 nan 0.000 0.425 11 R N 3.186 123.598 120.500 -0.146 0.000 2.230 11 R HA 0.658 5.015 4.340 0.029 0.000 0.337 11 R C -0.481 175.753 176.300 -0.110 0.000 1.063 11 R CA -0.331 55.718 56.100 -0.085 0.000 0.935 11 R CB 1.089 31.340 30.300 -0.082 0.000 1.121 11 R HN 0.782 nan 8.270 nan 0.000 0.486 12 V N 1.764 121.666 119.914 -0.019 0.000 3.134 12 V HA 0.363 4.500 4.120 0.029 0.000 0.313 12 V C 1.402 177.446 176.094 -0.083 0.000 1.069 12 V CA -0.783 61.520 62.300 0.004 0.000 1.048 12 V CB 1.504 33.495 31.823 0.279 0.000 1.119 12 V HN 0.794 nan 8.190 nan 0.000 0.461 13 R N 1.378 121.823 120.500 -0.092 0.000 2.139 13 R HA -0.101 4.257 4.340 0.029 0.000 0.243 13 R C 2.068 178.231 176.300 -0.227 0.000 1.145 13 R CA 1.741 57.764 56.100 -0.127 0.000 0.976 13 R CB -0.822 29.427 30.300 -0.085 0.000 0.866 13 R HN 1.009 nan 8.270 nan 0.000 0.449 14 G N -0.682 107.915 108.800 -0.338 0.000 2.623 14 G HA2 0.215 4.192 3.960 0.029 0.000 0.214 14 G HA3 0.215 4.192 3.960 0.029 0.000 0.214 14 G C 0.518 174.441 174.900 -1.629 0.000 1.138 14 G CA 0.662 45.232 45.100 -0.883 0.000 0.794 14 G HN 0.608 nan 8.290 nan 0.000 0.535 15 G N -1.222 106.941 108.800 -1.063 0.000 2.302 15 G HA2 0.133 4.110 3.960 0.029 0.000 0.264 15 G HA3 0.133 4.110 3.960 0.029 0.000 0.264 15 G C -1.280 173.583 174.900 -0.062 0.000 1.335 15 G CA -0.878 43.766 45.100 -0.759 0.000 0.982 15 G HN 0.242 nan 8.290 nan 0.000 0.473 16 Q N -0.290 119.633 119.800 0.205 0.000 2.235 16 Q HA 0.691 5.048 4.340 0.029 0.000 0.250 16 Q C -0.619 175.660 176.000 0.465 0.000 0.909 16 Q CA -0.277 55.693 55.803 0.278 0.000 0.910 16 Q CB 1.832 30.670 28.738 0.167 0.000 1.223 16 Q HN 0.448 nan 8.270 nan 0.000 0.432 17 L N 1.549 122.966 121.223 0.323 0.000 2.381 17 L HA 0.613 4.970 4.340 0.029 0.000 0.268 17 L C -0.453 176.581 176.870 0.273 0.000 0.997 17 L CA -0.794 54.234 54.840 0.313 0.000 0.818 17 L CB 2.229 44.517 42.059 0.382 0.000 1.310 17 L HN 0.432 nan 8.230 nan 0.000 0.416 18 R N 0.957 121.588 120.500 0.219 0.000 2.393 18 R HA 0.641 4.998 4.340 0.029 0.000 0.315 18 R C -0.185 176.181 176.300 0.109 0.000 0.952 18 R CA -0.355 55.848 56.100 0.171 0.000 0.842 18 R CB 1.664 32.014 30.300 0.084 0.000 1.163 18 R HN 0.833 nan 8.270 nan 0.000 0.450 19 G N 3.489 112.301 108.800 0.020 0.000 2.543 19 G HA2 0.352 4.329 3.960 0.029 0.000 0.290 19 G HA3 0.352 4.329 3.960 0.029 0.000 0.290 19 G C -0.737 173.986 174.900 -0.295 0.000 1.310 19 G CA -0.733 44.108 45.100 -0.431 0.000 1.025 19 G HN 0.608 nan 8.290 nan 0.000 0.502 20 I N -1.016 119.334 120.570 -0.366 0.000 2.646 20 I HA 0.558 4.745 4.170 0.029 0.000 0.299 20 I C -0.151 175.837 176.117 -0.215 0.000 1.036 20 I CA -1.222 59.938 61.300 -0.233 0.000 1.074 20 I CB 2.073 39.942 38.000 -0.219 0.000 1.258 20 I HN 0.454 nan 8.210 nan 0.000 0.430 21 R N 7.036 127.451 120.500 -0.141 0.000 2.221 21 R HA 0.573 4.931 4.340 0.029 0.000 0.327 21 R C -1.662 174.549 176.300 -0.149 0.000 1.033 21 R CA -0.408 55.607 56.100 -0.142 0.000 0.887 21 R CB 0.764 30.942 30.300 -0.204 0.000 1.057 21 R HN 0.624 nan 8.270 nan 0.000 0.455 22 L N 3.519 124.671 121.223 -0.118 0.000 2.334 22 L HA 0.459 4.816 4.340 0.029 0.000 0.272 22 L C -0.018 176.794 176.870 -0.097 0.000 1.020 22 L CA -0.895 53.891 54.840 -0.091 0.000 0.812 22 L CB 1.806 43.843 42.059 -0.037 0.000 1.264 22 L HN 0.507 nan 8.230 nan 0.000 0.439 23 K N 2.182 122.529 120.400 -0.088 0.000 2.262 23 K HA 0.618 4.955 4.320 0.029 0.000 0.282 23 K C -0.930 175.626 176.600 -0.074 0.000 1.066 23 K CA -0.302 55.937 56.287 -0.079 0.000 0.901 23 K CB 1.238 33.700 32.500 -0.064 0.000 1.089 23 K HN 0.717 nan 8.250 nan 0.000 0.476 24 A N 5.796 128.578 122.820 -0.064 0.000 2.337 24 A HA 0.463 4.800 4.320 0.029 0.000 0.329 24 A C -1.855 175.745 177.584 0.027 0.000 1.146 24 A CA -1.772 50.237 52.037 -0.047 0.000 0.800 24 A CB 0.792 19.744 19.000 -0.079 0.000 1.220 24 A HN 0.585 nan 8.150 nan 0.000 0.472 25 P HA -0.255 nan 4.420 nan 0.000 0.227 25 P C 1.188 178.518 177.300 0.049 0.000 1.141 25 P CA 2.636 65.784 63.100 0.081 0.000 0.964 25 P CB 0.102 31.875 31.700 0.121 0.000 0.784 26 G N -2.082 106.751 108.800 0.054 0.000 3.523 26 G HA2 0.486 4.463 3.960 0.029 0.000 0.270 26 G HA3 0.486 4.463 3.960 0.029 0.000 0.270 26 G C 0.408 175.327 174.900 0.032 0.000 1.134 26 G CA 0.422 45.545 45.100 0.039 0.000 0.825 26 G HN 0.705 nan 8.290 nan 0.000 0.534 27 G N -0.185 108.628 108.800 0.021 0.000 2.369 27 G HA2 0.353 4.331 3.960 0.029 0.000 0.293 27 G HA3 0.353 4.331 3.960 0.029 0.000 0.293 27 G C -3.509 171.383 174.900 -0.014 0.000 1.301 27 G CA -0.756 44.350 45.100 0.010 0.000 0.913 27 G HN 0.079 nan 8.290 nan 0.000 0.540 28 P HA 0.576 nan 4.420 nan 0.000 0.290 28 P C -0.210 177.108 177.300 0.030 0.000 1.275 28 P CA -0.611 62.423 63.100 -0.110 0.000 0.841 28 P CB 1.748 33.221 31.700 -0.379 0.000 1.042 29 V N -0.588 119.345 119.914 0.031 0.000 2.680 29 V HA 0.641 4.778 4.120 0.029 0.000 0.309 29 V C -0.147 176.050 176.094 0.171 0.000 1.052 29 V CA -0.715 61.680 62.300 0.158 0.000 0.908 29 V CB 1.674 33.591 31.823 0.157 0.000 1.001 29 V HN 0.424 nan 8.190 nan 0.000 0.431 30 S N 2.417 118.279 115.700 0.270 0.000 2.601 30 S HA 0.842 5.329 4.470 0.029 0.000 0.271 30 S C 0.131 174.724 174.600 -0.011 0.000 1.305 30 S CA 0.111 58.403 58.200 0.152 0.000 1.022 30 S CB 1.296 64.675 63.200 0.298 0.000 0.940 30 S HN 1.734 nan 8.310 nan 0.000 0.525 31 A N 1.876 124.429 122.820 -0.445 0.000 2.459 31 A HA 0.705 5.042 4.320 0.029 0.000 0.296 31 A C -1.443 175.617 177.584 -0.873 0.000 1.039 31 A CA -0.673 51.035 52.037 -0.548 0.000 0.698 31 A CB 0.630 19.338 19.000 -0.487 0.000 1.261 31 A HN 0.644 nan 8.150 nan 0.000 0.405 32 F N 3.079 122.869 119.950 -0.267 0.000 2.449 32 F HA 0.399 4.943 4.527 0.029 0.000 0.344 32 F C -0.094 175.529 175.800 -0.294 0.000 1.180 32 F CA -0.438 57.476 58.000 -0.143 0.000 1.209 32 F CB 0.769 39.864 39.000 0.158 0.000 1.440 32 F HN 0.386 nan 8.300 nan 0.000 0.526 33 L N 1.396 122.420 121.223 -0.332 0.000 2.371 33 L HA 0.634 4.991 4.340 0.029 0.000 0.272 33 L C 1.179 177.930 176.870 -0.198 0.000 1.124 33 L CA -0.592 54.003 54.840 -0.408 0.000 0.816 33 L CB 0.776 42.344 42.059 -0.818 0.000 1.129 33 L HN 0.772 nan 8.230 nan 0.000 0.448 34 G N 3.095 111.850 108.800 -0.074 0.000 2.225 34 G HA2 -0.247 3.730 3.960 0.029 0.000 0.264 34 G HA3 -0.247 3.730 3.960 0.029 0.000 0.264 34 G C -0.096 174.787 174.900 -0.029 0.000 1.060 34 G CA -0.421 44.631 45.100 -0.079 0.000 0.833 34 G HN 0.509 nan 8.290 nan 0.000 0.498 35 I N 1.901 122.498 120.570 0.044 0.000 2.471 35 I HA 0.219 4.406 4.170 0.029 0.000 0.286 35 I C -1.467 174.725 176.117 0.126 0.000 1.079 35 I CA -2.090 59.228 61.300 0.031 0.000 1.398 35 I CB 0.980 38.944 38.000 -0.060 0.000 1.403 35 I HN -0.029 nan 8.210 nan 0.000 0.530 36 P HA 0.018 nan 4.420 nan 0.000 0.276 36 P C -0.126 177.098 177.300 -0.126 0.000 1.253 36 P CA 0.029 63.058 63.100 -0.119 0.000 0.766 36 P CB 0.335 31.982 31.700 -0.088 0.000 0.845 37 F N 1.769 121.552 119.950 -0.279 0.000 2.704 37 F HA 0.686 5.230 4.527 0.029 0.000 0.304 37 F C 0.238 176.012 175.800 -0.044 0.000 1.094 37 F CA -0.685 57.192 58.000 -0.204 0.000 1.275 37 F CB 0.179 38.973 39.000 -0.342 0.000 1.073 37 F HN 0.304 nan 8.300 nan 0.000 0.586 38 A N 0.124 122.672 122.820 -0.454 0.000 2.587 38 A HA 0.533 4.870 4.320 0.029 0.000 0.293 38 A C -0.811 176.605 177.584 -0.280 0.000 1.087 38 A CA -0.858 51.011 52.037 -0.280 0.000 0.692 38 A CB 0.920 19.715 19.000 -0.342 0.000 1.291 38 A HN 0.078 nan 8.150 nan 0.000 0.407 39 E N 1.173 121.291 120.200 -0.136 0.000 2.414 39 E HA 0.204 4.571 4.350 0.029 0.000 0.263 39 E C -2.289 174.208 176.600 -0.172 0.000 1.000 39 E CA -1.102 55.231 56.400 -0.112 0.000 0.914 39 E CB -0.056 29.619 29.700 -0.043 0.000 0.948 39 E HN 0.246 nan 8.360 nan 0.000 0.444 40 P HA 0.013 nan 4.420 nan 0.000 0.263 40 P C -2.168 175.055 177.300 -0.128 0.000 1.195 40 P CA -0.836 62.161 63.100 -0.171 0.000 0.762 40 P CB -0.041 31.597 31.700 -0.104 0.000 0.799 41 P HA 0.004 nan 4.420 nan 0.000 0.228 41 P C -0.289 176.949 177.300 -0.104 0.000 1.748 41 P CA 0.131 63.167 63.100 -0.107 0.000 0.909 41 P CB -0.181 31.456 31.700 -0.107 0.000 1.882 42 V N -3.388 116.471 119.914 -0.092 0.000 2.975 42 V HA 0.886 5.023 4.120 0.029 0.000 0.318 42 V C 1.037 177.085 176.094 -0.076 0.000 1.077 42 V CA 0.127 62.374 62.300 -0.089 0.000 1.000 42 V CB 0.815 32.593 31.823 -0.075 0.000 1.066 42 V HN 0.502 nan 8.190 nan 0.000 0.452 43 G N 2.638 111.392 108.800 -0.078 0.000 2.601 43 G HA2 -0.356 3.621 3.960 0.029 0.000 0.306 43 G HA3 -0.356 3.621 3.960 0.029 0.000 0.306 43 G C 1.242 176.107 174.900 -0.057 0.000 1.172 43 G CA 1.529 46.594 45.100 -0.058 0.000 0.966 43 G HN 2.361 nan 8.290 nan 0.000 0.542 44 S N 0.539 116.218 115.700 -0.034 0.000 2.607 44 S HA 0.202 4.689 4.470 0.029 0.000 0.224 44 S C 1.832 176.420 174.600 -0.021 0.000 0.969 44 S CA 1.400 59.590 58.200 -0.017 0.000 0.927 44 S CB 0.103 63.301 63.200 -0.002 0.000 0.772 44 S HN 0.532 nan 8.310 nan 0.000 0.533 45 R N 1.131 121.602 120.500 -0.048 0.000 2.362 45 R HA 0.304 4.661 4.340 0.029 0.000 0.227 45 R C 0.589 176.835 176.300 -0.090 0.000 0.905 45 R CA -0.196 55.876 56.100 -0.048 0.000 1.067 45 R CB -0.326 29.946 30.300 -0.046 0.000 1.078 45 R HN 0.489 nan 8.270 nan 0.000 0.516 46 R N 0.653 121.047 120.500 -0.177 0.000 2.570 46 R HA -0.099 4.258 4.340 0.029 0.000 0.277 46 R C -0.231 175.835 176.300 -0.389 0.000 1.039 46 R CA 0.539 56.396 56.100 -0.405 0.000 1.065 46 R CB 0.084 29.992 30.300 -0.654 0.000 0.964 46 R HN 0.066 nan 8.270 nan 0.000 0.428 47 F N -0.688 119.255 119.950 -0.012 0.000 2.656 47 F HA -0.292 4.252 4.527 0.028 0.000 0.381 47 F C 0.024 175.803 175.800 -0.035 0.000 0.603 47 F CA 0.577 58.550 58.000 -0.045 0.000 1.335 47 F CB -1.594 37.369 39.000 -0.061 0.000 1.836 47 F HN 0.467 nan 8.300 nan 0.000 0.290 48 M N 0.950 120.603 119.600 0.089 0.000 2.478 48 M HA 0.416 4.914 4.480 0.029 0.000 0.327 48 M C -2.009 174.311 176.300 0.033 0.000 1.187 48 M CA -1.477 53.859 55.300 0.061 0.000 1.022 48 M CB 0.941 33.568 32.600 0.044 0.000 1.629 48 M HN -0.388 nan 8.290 nan 0.000 0.461 49 P HA 0.004 nan 4.420 nan 0.000 0.264 49 P C -2.402 174.921 177.300 0.038 0.000 1.179 49 P CA -0.310 62.817 63.100 0.045 0.000 0.763 49 P CB -0.474 31.262 31.700 0.059 0.000 0.806 50 P HA 0.155 nan 4.420 nan 0.000 0.275 50 P C -0.533 176.802 177.300 0.057 0.000 1.227 50 P CA 0.175 63.299 63.100 0.040 0.000 0.781 50 P CB 0.909 32.657 31.700 0.080 0.000 0.906 51 E N 3.336 123.557 120.200 0.034 0.000 2.202 51 E HA 0.379 4.746 4.350 0.029 0.000 0.272 51 E C -2.229 174.410 176.600 0.066 0.000 0.951 51 E CA -2.383 54.048 56.400 0.051 0.000 0.813 51 E CB 0.493 30.213 29.700 0.034 0.000 1.151 51 E HN 0.353 nan 8.360 nan 0.000 0.398 52 P HA -0.066 nan 4.420 nan 0.000 0.265 52 P C -0.774 176.596 177.300 0.116 0.000 1.193 52 P CA -0.011 63.172 63.100 0.138 0.000 0.765 52 P CB 0.395 32.179 31.700 0.140 0.000 0.823 53 K N 3.747 124.234 120.400 0.146 0.000 2.401 53 K HA 0.071 4.408 4.320 0.029 0.000 0.278 53 K C 0.077 176.793 176.600 0.194 0.000 1.018 53 K CA 0.095 56.469 56.287 0.145 0.000 0.981 53 K CB 0.323 32.935 32.500 0.187 0.000 0.933 53 K HN 0.269 nan 8.250 nan 0.000 0.477 54 R N 4.590 125.190 120.500 0.167 0.000 2.594 54 R HA 0.182 4.539 4.340 0.029 0.000 0.272 54 R C -2.040 174.396 176.300 0.227 0.000 1.074 54 R CA -1.680 54.512 56.100 0.153 0.000 1.105 54 R CB 0.071 30.438 30.300 0.111 0.000 1.008 54 R HN 0.587 nan 8.270 nan 0.000 0.472 55 P HA -0.098 nan 4.420 nan 0.000 0.269 55 P C -1.276 176.089 177.300 0.108 0.000 1.211 55 P CA 0.178 63.235 63.100 -0.071 0.000 0.781 55 P CB 0.310 31.936 31.700 -0.123 0.000 0.877 56 W N 0.547 121.883 121.300 0.060 0.000 2.785 56 W HA 0.610 5.287 4.660 0.029 0.000 0.333 56 W C -0.514 176.031 176.519 0.043 0.000 1.062 56 W CA -1.158 56.218 57.345 0.052 0.000 1.233 56 W CB 0.026 29.524 29.460 0.063 0.000 1.413 56 W HN 0.382 nan 8.180 nan 0.000 0.489 57 S N 3.207 119.036 115.700 0.216 0.000 2.568 57 S HA 0.610 5.097 4.470 0.029 0.000 0.282 57 S C 0.762 175.503 174.600 0.236 0.000 1.338 57 S CA 0.724 59.012 58.200 0.145 0.000 1.045 57 S CB 0.373 63.637 63.200 0.107 0.000 0.873 57 S HN 2.327 nan 8.310 nan 0.000 0.516 58 G N 0.909 109.805 108.800 0.160 0.000 2.593 58 G HA2 -0.156 3.821 3.960 0.029 0.000 0.237 58 G HA3 -0.156 3.821 3.960 0.029 0.000 0.237 58 G C -0.638 174.399 174.900 0.229 0.000 1.312 58 G CA -0.336 44.859 45.100 0.160 0.000 0.896 58 G HN 1.756 nan 8.290 nan 0.000 0.574 59 V N 0.944 120.966 119.914 0.180 0.000 2.313 59 V HA 0.522 4.659 4.120 0.029 0.000 0.278 59 V C 0.547 176.722 176.094 0.136 0.000 1.017 59 V CA -0.365 62.049 62.300 0.190 0.000 0.823 59 V CB 1.057 32.954 31.823 0.124 0.000 1.010 59 V HN 0.894 nan 8.190 nan 0.000 0.443 60 L N 4.274 125.577 121.223 0.134 0.000 2.455 60 L HA 0.299 4.657 4.340 0.029 0.000 0.272 60 L C 0.305 177.145 176.870 -0.051 0.000 1.174 60 L CA 0.438 55.221 54.840 -0.096 0.000 0.869 60 L CB 0.656 42.398 42.059 -0.529 0.000 1.130 60 L HN 0.757 nan 8.230 nan 0.000 0.474 61 D N 4.183 124.533 120.400 -0.082 0.000 2.352 61 D HA 0.419 5.076 4.640 0.029 0.000 0.245 61 D C -0.285 175.962 176.300 -0.090 0.000 1.224 61 D CA 0.172 54.133 54.000 -0.065 0.000 0.879 61 D CB 0.746 41.501 40.800 -0.075 0.000 1.057 61 D HN 0.713 nan 8.370 nan 0.000 0.491 62 A N 3.472 126.267 122.820 -0.043 0.000 3.232 62 A HA 0.305 4.642 4.320 0.029 0.000 0.312 62 A C 0.838 178.341 177.584 -0.136 0.000 1.185 62 A CA -0.452 51.552 52.037 -0.055 0.000 1.011 62 A CB -0.112 18.947 19.000 0.098 0.000 1.096 62 A HN 0.581 nan 8.150 nan 0.000 0.543 63 T N -3.840 110.607 114.554 -0.179 0.000 3.043 63 T HA 0.361 4.728 4.350 0.029 0.000 0.272 63 T C 0.342 174.883 174.700 -0.264 0.000 0.990 63 T CA 0.493 62.460 62.100 -0.221 0.000 0.897 63 T CB 0.271 69.045 68.868 -0.157 0.000 1.111 63 T HN 0.392 nan 8.240 nan 0.000 0.529 64 T N 0.582 114.971 114.554 -0.275 0.000 2.894 64 T HA 0.594 4.961 4.350 0.029 0.000 0.309 64 T C -1.772 172.765 174.700 -0.272 0.000 1.208 64 T CA -0.663 61.272 62.100 -0.275 0.000 1.016 64 T CB 0.818 69.590 68.868 -0.161 0.000 1.192 64 T HN 0.080 nan 8.240 nan 0.000 0.491 65 F N 3.397 123.276 119.950 -0.119 0.000 2.495 65 F HA 0.333 4.878 4.527 0.029 0.000 0.365 65 F C 1.448 177.153 175.800 -0.159 0.000 1.090 65 F CA -0.173 57.760 58.000 -0.112 0.000 1.235 65 F CB 0.644 39.609 39.000 -0.058 0.000 1.119 65 F HN 0.423 nan 8.300 nan 0.000 0.562 66 Q N 1.923 121.731 119.800 0.014 0.000 2.397 66 Q HA 0.122 4.479 4.340 0.029 0.000 0.193 66 Q C 0.112 176.065 176.000 -0.079 0.000 1.083 66 Q CA -0.387 55.286 55.803 -0.217 0.000 1.108 66 Q CB 0.360 28.709 28.738 -0.647 0.000 1.172 66 Q HN 0.524 nan 8.270 nan 0.000 0.617 67 N N -0.280 118.362 118.700 -0.096 0.000 2.416 67 N HA 0.031 4.788 4.740 0.029 0.000 0.246 67 N C -0.587 174.926 175.510 0.005 0.000 1.260 67 N CA 0.084 53.119 53.050 -0.025 0.000 0.897 67 N CB 0.499 38.985 38.487 -0.002 0.000 1.110 67 N HN 0.155 nan 8.380 nan 0.000 0.439 68 V N 1.782 121.668 119.914 -0.048 0.000 2.546 68 V HA 0.085 4.222 4.120 0.029 0.000 0.284 68 V C 0.715 176.760 176.094 -0.082 0.000 1.050 68 V CA -0.826 61.423 62.300 -0.085 0.000 0.981 68 V CB 0.907 32.643 31.823 -0.145 0.000 0.990 68 V HN 0.709 nan 8.190 nan 0.000 0.474 69 c N 4.206 122.761 118.600 -0.075 0.000 2.665 69 c HA 0.056 4.643 4.570 0.029 0.000 0.416 69 c C 0.513 174.518 174.090 -0.142 0.000 1.305 69 c CA -0.495 55.781 56.329 -0.088 0.000 1.903 69 c CB -0.912 41.565 42.510 -0.055 0.000 2.704 69 c HN 0.741 nan 8.230 nan 0.000 0.629 70 Y N 3.625 123.713 120.300 -0.354 0.000 2.650 70 Y HA 0.270 4.837 4.550 0.029 0.000 0.331 70 Y C 0.747 176.556 175.900 -0.153 0.000 1.165 70 Y CA 0.904 58.767 58.100 -0.395 0.000 1.473 70 Y CB 0.048 37.996 38.460 -0.852 0.000 1.224 70 Y HN 0.717 nan 8.280 nan 0.000 0.533 71 Q N 4.438 124.072 119.800 -0.276 0.000 2.418 71 Q HA 0.247 4.604 4.340 0.029 0.000 0.282 71 Q C -1.638 174.420 176.000 0.096 0.000 1.044 71 Q CA -1.246 54.594 55.803 0.060 0.000 0.813 71 Q CB 1.398 30.172 28.738 0.060 0.000 1.428 71 Q HN 0.664 nan 8.270 nan 0.000 0.402 72 Y N 1.368 121.808 120.300 0.233 0.000 2.811 72 Y HA 0.193 4.760 4.550 0.028 0.000 0.334 72 Y C -0.888 175.145 175.900 0.222 0.000 1.247 72 Y CA 0.443 58.719 58.100 0.293 0.000 1.526 72 Y CB 0.708 39.501 38.460 0.554 0.000 1.284 72 Y HN 0.480 nan 8.280 nan 0.000 0.586 73 V N 6.734 126.318 119.914 -0.549 0.000 2.435 73 V HA 0.101 4.239 4.120 0.029 0.000 0.290 73 V C -0.502 175.244 176.094 -0.580 0.000 1.030 73 V CA -0.937 61.137 62.300 -0.376 0.000 0.881 73 V CB 1.638 33.312 31.823 -0.250 0.000 0.983 73 V HN 0.790 nan 8.190 nan 0.000 0.445 74 D N 2.768 123.119 120.400 -0.081 0.000 2.390 74 D HA 0.313 4.970 4.640 0.029 0.000 0.249 74 D C 0.820 177.168 176.300 0.081 0.000 1.144 74 D CA 0.354 54.441 54.000 0.145 0.000 0.880 74 D CB 1.164 42.193 40.800 0.381 0.000 1.182 74 D HN 0.747 nan 8.370 nan 0.000 0.451 75 T N 1.084 115.693 114.554 0.092 0.000 3.209 75 T HA 0.046 4.414 4.350 0.029 0.000 0.295 75 T C 1.331 176.043 174.700 0.021 0.000 0.977 75 T CA -0.462 61.665 62.100 0.045 0.000 0.922 75 T CB -0.152 68.715 68.868 -0.003 0.000 1.152 75 T HN 0.279 nan 8.240 nan 0.000 0.527 76 L N 0.603 121.837 121.223 0.018 0.000 2.046 76 L HA 0.243 4.601 4.340 0.029 0.000 0.208 76 L C -0.089 176.527 176.870 -0.424 0.000 1.077 76 L CA 1.597 56.289 54.840 -0.247 0.000 0.747 76 L CB -0.244 41.576 42.059 -0.399 0.000 0.896 76 L HN 0.407 nan 8.230 nan 0.000 0.432 77 Y N -0.368 119.970 120.300 0.064 0.000 2.658 77 Y HA 0.404 4.971 4.550 0.029 0.000 0.362 77 Y C -2.214 173.747 175.900 0.101 0.000 1.017 77 Y CA -3.469 54.659 58.100 0.047 0.000 1.134 77 Y CB -0.232 38.244 38.460 0.027 0.000 1.144 77 Y HN 0.065 nan 8.280 nan 0.000 0.655 78 P HA 0.115 nan 4.420 nan 0.000 0.264 78 P C 1.042 178.413 177.300 0.119 0.000 1.193 78 P CA 1.417 64.585 63.100 0.114 0.000 0.763 78 P CB 0.797 32.530 31.700 0.056 0.000 0.810 79 G N 2.433 111.287 108.800 0.090 0.000 2.184 79 G HA2 -0.301 3.676 3.960 0.029 0.000 0.264 79 G HA3 -0.301 3.676 3.960 0.029 0.000 0.264 79 G C 0.005 174.953 174.900 0.081 0.000 0.975 79 G CA -0.322 44.812 45.100 0.056 0.000 0.642 79 G HN 0.548 nan 8.290 nan 0.000 0.536 80 F N 2.072 121.996 119.950 -0.044 0.000 2.472 80 F HA 0.574 5.118 4.527 0.028 0.000 0.364 80 F C 1.383 177.092 175.800 -0.152 0.000 1.090 80 F CA -0.572 57.352 58.000 -0.128 0.000 1.188 80 F CB 1.264 40.161 39.000 -0.170 0.000 1.105 80 F HN 0.171 nan 8.300 nan 0.000 0.536 81 E N 4.454 124.217 120.200 -0.729 0.000 2.058 81 E HA -0.101 4.266 4.350 0.029 0.000 0.194 81 E C 2.248 178.291 176.600 -0.928 0.000 0.997 81 E CA 2.024 58.011 56.400 -0.687 0.000 0.801 81 E CB -0.720 28.669 29.700 -0.519 0.000 0.746 81 E HN 0.883 nan 8.360 nan 0.000 0.450 82 G N -0.646 107.022 108.800 -1.886 0.000 2.547 82 G HA2 -0.394 3.584 3.960 0.029 0.000 0.221 82 G HA3 -0.394 3.584 3.960 0.029 0.000 0.221 82 G C 1.779 176.561 174.900 -0.197 0.000 1.140 82 G CA 2.222 46.492 45.100 -1.383 0.000 0.760 82 G HN 0.534 nan 8.290 nan 0.000 0.583 83 T N -2.337 112.119 114.554 -0.162 0.000 3.010 83 T HA 0.142 4.509 4.350 0.029 0.000 0.252 83 T C 1.974 176.822 174.700 0.245 0.000 1.047 83 T CA 1.098 63.467 62.100 0.448 0.000 1.140 83 T CB 0.042 69.264 68.868 0.589 0.000 0.885 83 T HN 0.165 nan 8.240 nan 0.000 0.464 84 E N 2.268 122.462 120.200 -0.009 0.000 2.150 84 E HA -0.077 4.290 4.350 0.029 0.000 0.193 84 E C 2.246 178.765 176.600 -0.135 0.000 0.985 84 E CA 1.388 57.760 56.400 -0.045 0.000 0.814 84 E CB -0.538 29.103 29.700 -0.098 0.000 0.752 84 E HN 0.827 nan 8.360 nan 0.000 0.466 85 M N -2.210 117.209 119.600 -0.301 0.000 2.358 85 M HA -0.079 4.418 4.480 0.029 0.000 0.264 85 M C 1.455 177.406 176.300 -0.582 0.000 1.064 85 M CA 1.455 56.446 55.300 -0.514 0.000 1.093 85 M CB -0.638 31.535 32.600 -0.712 0.000 1.401 85 M HN 0.000 nan 8.290 nan 0.000 0.440 86 W N 0.857 122.112 121.300 -0.075 0.000 2.942 86 W HA 0.244 4.920 4.660 0.028 0.000 0.263 86 W C 0.617 177.087 176.519 -0.080 0.000 1.296 86 W CA -0.893 56.405 57.345 -0.078 0.000 1.504 86 W CB -0.227 29.250 29.460 0.027 0.000 1.096 86 W HN 0.110 nan 8.180 nan 0.000 0.639 87 N N 1.486 120.245 118.700 0.098 0.000 2.503 87 N HA 0.124 4.881 4.740 0.029 0.000 0.267 87 N C -2.475 172.997 175.510 -0.063 0.000 1.214 87 N CA -1.515 51.554 53.050 0.033 0.000 0.959 87 N CB 0.008 38.510 38.487 0.024 0.000 1.142 87 N HN -0.335 nan 8.380 nan 0.000 0.455 88 P HA 0.070 nan 4.420 nan 0.000 0.263 88 P C 0.137 177.358 177.300 -0.131 0.000 1.195 88 P CA -0.045 62.974 63.100 -0.134 0.000 0.762 88 P CB 0.197 31.809 31.700 -0.146 0.000 0.799 89 N N 2.839 121.447 118.700 -0.153 0.000 2.251 89 N HA 0.070 4.827 4.740 0.029 0.000 0.217 89 N C 0.237 175.681 175.510 -0.111 0.000 1.124 89 N CA 0.005 52.972 53.050 -0.137 0.000 0.843 89 N CB 0.241 38.627 38.487 -0.168 0.000 1.024 89 N HN 0.150 nan 8.380 nan 0.000 0.501 90 R N -0.111 120.323 120.500 -0.110 0.000 2.846 90 R HA 0.325 4.683 4.340 0.029 0.000 0.263 90 R C -0.420 175.831 176.300 -0.081 0.000 1.080 90 R CA -0.641 55.411 56.100 -0.079 0.000 0.961 90 R CB 0.500 30.760 30.300 -0.067 0.000 1.231 90 R HN 0.105 nan 8.270 nan 0.000 0.465 91 E N 1.693 121.855 120.200 -0.063 0.000 2.415 91 E HA 0.049 4.416 4.350 0.029 0.000 0.263 91 E C -0.067 176.492 176.600 -0.068 0.000 0.995 91 E CA 0.163 56.529 56.400 -0.057 0.000 0.915 91 E CB 0.414 30.091 29.700 -0.038 0.000 0.951 91 E HN 0.264 nan 8.360 nan 0.000 0.449 92 L N 2.442 123.613 121.223 -0.087 0.000 2.410 92 L HA 0.113 4.470 4.340 0.029 0.000 0.273 92 L C 0.691 177.584 176.870 0.038 0.000 1.152 92 L CA 0.267 55.034 54.840 -0.122 0.000 0.855 92 L CB 0.614 42.468 42.059 -0.341 0.000 1.129 92 L HN 0.404 nan 8.230 nan 0.000 0.463 93 S N 1.701 117.440 115.700 0.065 0.000 2.542 93 S HA 0.178 4.665 4.470 0.029 0.000 0.276 93 S C 0.288 174.892 174.600 0.008 0.000 1.148 93 S CA -0.732 57.520 58.200 0.087 0.000 0.886 93 S CB 1.548 64.766 63.200 0.030 0.000 1.109 93 S HN 0.738 nan 8.310 nan 0.000 0.458 94 E N 1.103 121.252 120.200 -0.085 0.000 2.268 94 E HA -0.092 4.276 4.350 0.029 0.000 0.195 94 E C -0.266 176.268 176.600 -0.110 0.000 0.995 94 E CA 0.625 56.912 56.400 -0.188 0.000 0.836 94 E CB 0.061 29.619 29.700 -0.237 0.000 0.763 94 E HN 0.567 nan 8.360 nan 0.000 0.491 95 D N 0.260 120.630 120.400 -0.050 0.000 2.402 95 D HA -0.001 4.656 4.640 0.029 0.000 0.235 95 D C 0.052 176.408 176.300 0.094 0.000 1.226 95 D CA -0.254 53.741 54.000 -0.009 0.000 0.918 95 D CB 0.206 41.026 40.800 0.033 0.000 1.043 95 D HN 0.137 nan 8.370 nan 0.000 0.506 96 c N 2.752 121.349 118.600 -0.005 0.000 3.935 96 c HA 0.325 4.912 4.570 0.029 0.000 0.301 96 c C 0.625 174.664 174.090 -0.086 0.000 1.874 96 c CA -0.635 55.752 56.329 0.096 0.000 1.723 96 c CB -1.216 41.318 42.510 0.040 0.000 3.192 96 c HN 0.469 nan 8.230 nan 0.000 0.577 97 L N 2.467 123.346 121.223 -0.573 0.000 2.391 97 L HA 0.380 4.738 4.340 0.029 0.000 0.249 97 L C -0.948 175.151 176.870 -1.284 0.000 1.308 97 L CA 0.524 54.815 54.840 -0.915 0.000 1.209 97 L CB -0.826 40.584 42.059 -1.082 0.000 1.401 97 L HN 0.380 nan 8.230 nan 0.000 0.416 98 Y N 1.414 121.634 120.300 -0.133 0.000 2.499 98 Y HA 0.620 5.188 4.550 0.028 0.000 0.347 98 Y C 0.020 176.107 175.900 0.311 0.000 0.987 98 Y CA -1.284 56.844 58.100 0.047 0.000 1.044 98 Y CB 1.912 40.362 38.460 -0.016 0.000 1.245 98 Y HN 0.175 nan 8.280 nan 0.000 0.461 99 L N 0.102 121.529 121.223 0.341 0.000 2.279 99 L HA 0.800 5.157 4.340 0.029 0.000 0.262 99 L C -1.156 175.736 176.870 0.036 0.000 1.019 99 L CA -1.128 53.790 54.840 0.130 0.000 0.823 99 L CB 1.562 43.525 42.059 -0.159 0.000 1.358 99 L HN 0.476 nan 8.230 nan 0.000 0.432 100 N N -0.051 118.671 118.700 0.037 0.000 2.249 100 N HA 0.632 5.389 4.740 0.029 0.000 0.296 100 N C -1.521 173.916 175.510 -0.121 0.000 1.051 100 N CA -0.414 52.568 53.050 -0.113 0.000 0.815 100 N CB 2.722 41.113 38.487 -0.159 0.000 1.487 100 N HN 0.489 nan 8.380 nan 0.000 0.475 101 V N 1.498 121.292 119.914 -0.200 0.000 2.495 101 V HA 0.472 4.610 4.120 0.029 0.000 0.298 101 V C -0.600 175.487 176.094 -0.012 0.000 1.031 101 V CA -0.733 61.532 62.300 -0.059 0.000 0.871 101 V CB 1.958 33.575 31.823 -0.344 0.000 0.988 101 V HN 0.535 nan 8.190 nan 0.000 0.432 102 W N 2.954 124.371 121.300 0.195 0.000 2.573 102 W HA 0.657 5.335 4.660 0.029 0.000 0.326 102 W C 0.110 176.757 176.519 0.215 0.000 1.049 102 W CA -0.459 57.003 57.345 0.195 0.000 1.220 102 W CB 2.393 31.936 29.460 0.139 0.000 1.373 102 W HN 0.636 nan 8.180 nan 0.000 0.507 103 T N 0.083 114.908 114.554 0.452 0.000 2.903 103 T HA 0.463 4.830 4.350 0.029 0.000 0.299 103 T C -2.737 172.140 174.700 0.294 0.000 1.093 103 T CA -2.431 59.881 62.100 0.353 0.000 1.002 103 T CB 2.208 71.299 68.868 0.372 0.000 1.127 103 T HN -0.014 nan 8.240 nan 0.000 0.488 104 P HA 0.031 nan 4.420 nan 0.000 0.264 104 P C -1.361 176.072 177.300 0.222 0.000 1.179 104 P CA 0.106 63.323 63.100 0.194 0.000 0.763 104 P CB 0.045 31.829 31.700 0.139 0.000 0.806 105 Y N 4.807 125.163 120.300 0.092 0.000 2.328 105 Y HA 0.373 4.940 4.550 0.029 0.000 0.333 105 Y C -1.925 174.009 175.900 0.056 0.000 0.958 105 Y CA -2.626 55.519 58.100 0.076 0.000 1.167 105 Y CB 1.339 39.832 38.460 0.055 0.000 1.151 105 Y HN 0.313 nan 8.280 nan 0.000 0.470 106 P HA 0.076 nan 4.420 nan 0.000 0.272 106 P C -1.236 176.007 177.300 -0.095 0.000 1.230 106 P CA -0.388 62.538 63.100 -0.290 0.000 0.788 106 P CB 0.851 32.450 31.700 -0.168 0.000 0.949 107 R N 2.142 122.579 120.500 -0.104 0.000 2.370 107 R HA 0.276 4.633 4.340 0.029 0.000 0.309 107 R C -2.006 174.311 176.300 0.027 0.000 1.059 107 R CA -1.457 54.659 56.100 0.026 0.000 0.981 107 R CB -1.011 29.335 30.300 0.077 0.000 0.972 107 R HN 0.299 nan 8.270 nan 0.000 0.437 108 P HA -0.219 nan 4.420 nan 0.000 0.261 108 P C 0.022 177.337 177.300 0.026 0.000 1.133 108 P CA 0.987 64.116 63.100 0.049 0.000 0.756 108 P CB 0.429 32.171 31.700 0.070 0.000 0.726 109 A N 2.982 125.812 122.820 0.017 0.000 2.014 109 A HA 0.059 4.396 4.320 0.029 0.000 0.218 109 A C 1.013 178.600 177.584 0.004 0.000 1.163 109 A CA 1.570 53.610 52.037 0.005 0.000 0.652 109 A CB -0.292 18.710 19.000 0.004 0.000 0.808 109 A HN 0.652 nan 8.150 nan 0.000 0.449 110 S N -1.734 113.972 115.700 0.010 0.000 2.632 110 S HA 0.643 5.130 4.470 0.029 0.000 0.289 110 S C -3.336 171.271 174.600 0.013 0.000 1.115 110 S CA -1.818 56.386 58.200 0.006 0.000 0.889 110 S CB 1.127 64.328 63.200 0.002 0.000 1.116 110 S HN -0.052 nan 8.310 nan 0.000 0.486 111 P HA 0.208 nan 4.420 nan 0.000 0.261 111 P C -0.687 176.622 177.300 0.014 0.000 1.183 111 P CA 0.331 63.439 63.100 0.012 0.000 0.761 111 P CB 0.032 31.732 31.700 -0.001 0.000 0.785 112 T N 5.645 120.218 114.554 0.031 0.000 2.824 112 T HA 0.385 4.752 4.350 0.029 0.000 0.280 112 T C -2.376 172.342 174.700 0.029 0.000 0.995 112 T CA -1.849 60.271 62.100 0.034 0.000 1.009 112 T CB 0.774 69.679 68.868 0.061 0.000 0.955 112 T HN 0.150 nan 8.240 nan 0.000 0.452 113 P HA 0.098 nan 4.420 nan 0.000 0.264 113 P C -0.924 176.400 177.300 0.040 0.000 1.179 113 P CA -0.125 62.975 63.100 -0.000 0.000 0.763 113 P CB 0.365 32.049 31.700 -0.026 0.000 0.806 114 V N 4.798 124.748 119.914 0.061 0.000 2.459 114 V HA 0.310 4.447 4.120 0.029 0.000 0.295 114 V C 0.156 176.323 176.094 0.123 0.000 1.029 114 V CA -0.549 61.816 62.300 0.108 0.000 0.874 114 V CB 1.368 33.269 31.823 0.130 0.000 0.985 114 V HN 0.298 nan 8.190 nan 0.000 0.438 115 L N 5.808 127.120 121.223 0.148 0.000 2.296 115 L HA 0.570 4.928 4.340 0.029 0.000 0.286 115 L C -0.312 176.804 176.870 0.410 0.000 1.023 115 L CA 0.145 55.101 54.840 0.193 0.000 0.812 115 L CB 1.426 43.469 42.059 -0.026 0.000 1.223 115 L HN 0.479 nan 8.230 nan 0.000 0.421 116 I N 2.816 123.661 120.570 0.458 0.000 2.362 116 I HA 0.225 4.413 4.170 0.029 0.000 0.289 116 I C -0.719 175.670 176.117 0.453 0.000 0.994 116 I CA -0.523 61.017 61.300 0.400 0.000 1.158 116 I CB 1.197 39.306 38.000 0.180 0.000 1.315 116 I HN 0.638 nan 8.210 nan 0.000 0.451 117 W N 8.235 129.621 121.300 0.143 0.000 2.376 117 W HA 0.615 5.292 4.660 0.028 0.000 0.322 117 W C -1.569 174.836 176.519 -0.190 0.000 1.160 117 W CA -0.653 56.536 57.345 -0.260 0.000 1.218 117 W CB 1.323 30.655 29.460 -0.214 0.000 1.205 117 W HN 0.350 nan 8.180 nan 0.000 0.559 118 I N 8.213 128.105 120.570 -1.130 0.000 2.439 118 I HA 0.073 4.260 4.170 0.029 0.000 0.283 118 I C -0.418 174.857 176.117 -1.404 0.000 1.023 118 I CA -1.064 59.651 61.300 -0.975 0.000 1.100 118 I CB 1.007 38.596 38.000 -0.685 0.000 1.238 118 I HN 0.284 nan 8.210 nan 0.000 0.445 119 Y N 4.648 124.467 120.300 -0.802 0.000 2.457 119 Y HA 0.640 5.207 4.550 0.028 0.000 0.341 119 Y C 0.857 176.550 175.900 -0.346 0.000 1.240 119 Y CA -0.759 56.985 58.100 -0.593 0.000 1.437 119 Y CB -0.122 38.213 38.460 -0.208 0.000 1.328 119 Y HN 0.532 nan 8.280 nan 0.000 0.588 120 G N -0.271 108.490 108.800 -0.064 0.000 2.531 120 G HA2 0.450 4.427 3.960 0.029 0.000 0.253 120 G HA3 0.450 4.427 3.960 0.029 0.000 0.253 120 G C 0.498 175.342 174.900 -0.093 0.000 1.439 120 G CA -0.801 44.209 45.100 -0.149 0.000 1.056 120 G HN 1.794 nan 8.290 nan 0.000 0.555 121 G N -2.925 105.678 108.800 -0.328 0.000 2.148 121 G HA2 0.365 4.342 3.960 0.029 0.000 0.120 121 G HA3 0.365 4.342 3.960 0.029 0.000 0.120 121 G C 1.143 175.539 174.900 -0.839 0.000 1.034 121 G CA 0.682 45.481 45.100 -0.501 0.000 0.710 121 G HN 2.314 nan 8.290 nan 0.000 0.495 122 G N -0.413 107.942 108.800 -0.741 0.000 2.296 122 G HA2 -0.103 3.874 3.960 0.029 0.000 0.282 122 G HA3 -0.103 3.874 3.960 0.029 0.000 0.282 122 G C 0.907 175.479 174.900 -0.547 0.000 1.014 122 G CA 0.835 45.425 45.100 -0.849 0.000 0.812 122 G HN 1.794 nan 8.290 nan 0.000 0.508 123 F N -3.486 116.316 119.950 -0.248 0.000 2.973 123 F HA -0.315 4.230 4.527 0.029 0.000 0.299 123 F C 1.436 177.297 175.800 0.102 0.000 0.737 123 F CA 2.097 60.062 58.000 -0.059 0.000 1.151 123 F CB -2.114 36.700 39.000 -0.310 0.000 1.440 123 F HN 0.904 nan 8.300 nan 0.000 0.367 124 Y N -1.278 119.061 120.300 0.065 0.000 2.527 124 Y HA 0.656 5.223 4.550 0.028 0.000 0.247 124 Y C 0.572 176.567 175.900 0.158 0.000 1.138 124 Y CA 0.181 58.355 58.100 0.123 0.000 1.228 124 Y CB -0.024 38.441 38.460 0.007 0.000 1.252 124 Y HN 0.095 nan 8.280 nan 0.000 0.531 125 S N -0.760 114.786 115.700 -0.256 0.000 2.727 125 S HA 0.873 5.361 4.470 0.029 0.000 0.278 125 S C -0.148 174.327 174.600 -0.208 0.000 1.186 125 S CA -0.519 57.580 58.200 -0.169 0.000 0.836 125 S CB 1.391 64.474 63.200 -0.195 0.000 1.186 125 S HN 1.417 nan 8.310 nan 0.000 0.499 126 G N -0.683 107.951 108.800 -0.278 0.000 2.539 126 G HA2 0.526 4.503 3.960 0.029 0.000 0.686 126 G HA3 0.526 4.503 3.960 0.029 0.000 0.686 126 G C -0.599 173.622 174.900 -1.131 0.000 1.258 126 G CA -0.229 44.537 45.100 -0.558 0.000 0.846 126 G HN 2.118 nan 8.290 nan 0.000 0.647 127 A N -0.402 121.720 122.820 -1.163 0.000 2.594 127 A HA 1.035 5.373 4.320 0.029 0.000 0.295 127 A C 0.740 178.122 177.584 -0.337 0.000 1.071 127 A CA 0.494 52.039 52.037 -0.820 0.000 0.685 127 A CB 1.190 19.962 19.000 -0.381 0.000 1.285 127 A HN 2.577 nan 8.150 nan 0.000 0.405 128 A N 0.395 123.234 122.820 0.032 0.000 2.167 128 A HA 0.201 4.538 4.320 0.029 0.000 0.214 128 A C 1.680 179.303 177.584 0.065 0.000 1.151 128 A CA 1.843 54.078 52.037 0.329 0.000 0.735 128 A CB -0.523 18.732 19.000 0.426 0.000 0.802 128 A HN 1.730 nan 8.150 nan 0.000 0.467 129 S N -0.772 114.722 115.700 -0.344 0.000 2.556 129 S HA 0.370 4.857 4.470 0.029 0.000 0.216 129 S C 0.462 174.650 174.600 -0.687 0.000 0.970 129 S CA -0.468 57.076 58.200 -1.093 0.000 0.912 129 S CB -0.477 62.020 63.200 -1.171 0.000 0.790 129 S HN 0.365 nan 8.310 nan 0.000 0.504 130 L N 1.884 122.860 121.223 -0.412 0.000 2.464 130 L HA 0.209 4.566 4.340 0.029 0.000 0.264 130 L C 1.213 177.754 176.870 -0.548 0.000 1.199 130 L CA -0.423 54.115 54.840 -0.502 0.000 0.818 130 L CB 0.272 41.929 42.059 -0.670 0.000 1.102 130 L HN 0.081 nan 8.230 nan 0.000 0.473 131 D N 0.494 120.599 120.400 -0.492 0.000 2.178 131 D HA -0.118 4.539 4.640 0.029 0.000 0.202 131 D C 1.869 177.886 176.300 -0.472 0.000 0.974 131 D CA 1.065 54.843 54.000 -0.371 0.000 0.841 131 D CB 0.094 40.717 40.800 -0.295 0.000 0.953 131 D HN 0.457 nan 8.370 nan 0.000 0.478 132 V N -1.383 118.086 119.914 -0.741 0.000 3.380 132 V HA -0.094 4.043 4.120 0.029 0.000 0.268 132 V C 0.642 176.084 176.094 -1.087 0.000 1.168 132 V CA 0.815 62.636 62.300 -0.798 0.000 1.156 132 V CB -1.181 30.142 31.823 -0.835 0.000 0.785 132 V HN 0.062 nan 8.190 nan 0.000 0.487 133 Y N -0.033 119.688 120.300 -0.964 0.000 2.681 133 Y HA 0.486 5.053 4.550 0.028 0.000 0.267 133 Y C 0.639 175.952 175.900 -0.978 0.000 1.166 133 Y CA -2.190 54.916 58.100 -1.657 0.000 1.209 133 Y CB -0.591 37.219 38.460 -1.084 0.000 1.161 133 Y HN 0.182 nan 8.280 nan 0.000 0.534 134 D N 1.023 121.119 120.400 -0.506 0.000 2.382 134 D HA 0.072 4.729 4.640 0.029 0.000 0.259 134 D C 1.318 177.285 176.300 -0.555 0.000 1.224 134 D CA 0.447 54.222 54.000 -0.376 0.000 0.894 134 D CB 1.403 42.106 40.800 -0.163 0.000 1.127 134 D HN 0.507 nan 8.370 nan 0.000 0.487 135 G N 4.190 112.069 108.800 -1.536 0.000 3.088 135 G HA2 -0.149 3.828 3.960 0.029 0.000 0.212 135 G HA3 -0.149 3.828 3.960 0.029 0.000 0.212 135 G C 1.454 175.738 174.900 -1.027 0.000 1.173 135 G CA -0.030 44.309 45.100 -1.269 0.000 0.779 135 G HN 0.564 nan 8.290 nan 0.000 0.540 136 R N -0.151 119.720 120.500 -1.048 0.000 2.075 136 R HA -0.040 4.317 4.340 0.029 0.000 0.232 136 R C 1.625 177.656 176.300 -0.448 0.000 1.126 136 R CA 1.170 56.887 56.100 -0.638 0.000 0.963 136 R CB -0.690 29.260 30.300 -0.584 0.000 0.858 136 R HN 0.321 nan 8.270 nan 0.000 0.435 137 F N 1.651 121.518 119.950 -0.138 0.000 2.098 137 F HA 0.012 4.557 4.527 0.029 0.000 0.294 137 F C 2.506 178.256 175.800 -0.084 0.000 1.107 137 F CA 0.808 58.752 58.000 -0.093 0.000 1.234 137 F CB -0.778 38.156 39.000 -0.109 0.000 1.002 137 F HN -0.131 nan 8.300 nan 0.000 0.472 138 L N 0.078 121.348 121.223 0.079 0.000 2.081 138 L HA -0.268 4.089 4.340 0.029 0.000 0.212 138 L C 2.737 179.623 176.870 0.027 0.000 1.080 138 L CA 1.222 56.063 54.840 0.003 0.000 0.754 138 L CB -0.993 41.021 42.059 -0.076 0.000 0.893 138 L HN 0.224 nan 8.230 nan 0.000 0.433 139 A N -0.985 121.855 122.820 0.033 0.000 1.858 139 A HA -0.248 4.089 4.320 0.029 0.000 0.216 139 A C 2.286 179.924 177.584 0.090 0.000 1.190 139 A CA 1.678 53.775 52.037 0.099 0.000 0.617 139 A CB -0.516 18.590 19.000 0.177 0.000 0.827 139 A HN 0.407 nan 8.150 nan 0.000 0.443 140 Q N -0.059 119.780 119.800 0.066 0.000 1.969 140 Q HA -0.085 4.272 4.340 0.029 0.000 0.198 140 Q C 2.232 178.273 176.000 0.067 0.000 0.978 140 Q CA 2.148 57.994 55.803 0.071 0.000 0.830 140 Q CB -0.460 28.309 28.738 0.052 0.000 0.896 140 Q HN 0.387 nan 8.270 nan 0.000 0.431 141 V N 1.476 121.431 119.914 0.067 0.000 2.427 141 V HA -0.150 3.987 4.120 0.029 0.000 0.248 141 V C 1.870 177.984 176.094 0.033 0.000 1.051 141 V CA 1.805 64.134 62.300 0.049 0.000 1.048 141 V CB -0.271 31.579 31.823 0.046 0.000 0.666 141 V HN 0.278 nan 8.190 nan 0.000 0.456 142 E N -0.597 119.622 120.200 0.031 0.000 2.489 142 E HA 0.214 4.581 4.350 0.029 0.000 0.204 142 E C 1.613 178.234 176.600 0.034 0.000 1.006 142 E CA 0.718 57.131 56.400 0.021 0.000 0.936 142 E CB 0.727 30.430 29.700 0.005 0.000 1.002 142 E HN 0.594 nan 8.360 nan 0.000 0.488 143 G N 1.867 110.698 108.800 0.052 0.000 2.198 143 G HA2 -0.275 3.702 3.960 0.029 0.000 0.257 143 G HA3 -0.275 3.702 3.960 0.029 0.000 0.257 143 G C 0.333 175.277 174.900 0.073 0.000 1.042 143 G CA 0.386 45.526 45.100 0.066 0.000 0.791 143 G HN 0.420 nan 8.290 nan 0.000 0.502 144 A N -0.537 122.329 122.820 0.076 0.000 2.310 144 A HA 0.747 5.084 4.320 0.029 0.000 0.299 144 A C 0.515 178.181 177.584 0.137 0.000 1.147 144 A CA -0.223 51.864 52.037 0.082 0.000 0.818 144 A CB 1.390 20.420 19.000 0.049 0.000 1.096 144 A HN 1.149 nan 8.150 nan 0.000 0.495 145 V N 3.615 123.615 119.914 0.144 0.000 2.405 145 V HA 0.218 4.355 4.120 0.029 0.000 0.264 145 V C 0.055 176.282 176.094 0.222 0.000 1.048 145 V CA 0.184 62.600 62.300 0.194 0.000 0.966 145 V CB 0.327 32.250 31.823 0.166 0.000 1.015 145 V HN 0.705 nan 8.190 nan 0.000 0.477 146 L N 6.805 128.218 121.223 0.316 0.000 2.313 146 L HA 0.705 5.063 4.340 0.029 0.000 0.283 146 L C -0.706 176.479 176.870 0.525 0.000 1.013 146 L CA -0.250 54.826 54.840 0.393 0.000 0.816 146 L CB 1.684 43.949 42.059 0.344 0.000 1.236 146 L HN 0.416 nan 8.230 nan 0.000 0.419 147 V N 3.404 123.595 119.914 0.462 0.000 2.555 147 V HA 0.696 4.833 4.120 0.029 0.000 0.302 147 V C -0.314 176.064 176.094 0.473 0.000 1.038 147 V CA -0.407 62.134 62.300 0.402 0.000 0.887 147 V CB 1.953 33.932 31.823 0.260 0.000 0.991 147 V HN 0.865 nan 8.190 nan 0.000 0.434 148 S N 5.184 121.165 115.700 0.468 0.000 2.541 148 S HA 0.852 5.339 4.470 0.029 0.000 0.280 148 S C -0.840 173.940 174.600 0.301 0.000 1.112 148 S CA -0.822 57.645 58.200 0.445 0.000 0.925 148 S CB 2.192 65.776 63.200 0.639 0.000 1.067 148 S HN 0.857 nan 8.310 nan 0.000 0.479 149 M N 1.565 121.293 119.600 0.214 0.000 2.598 149 M HA 0.641 5.138 4.480 0.029 0.000 0.317 149 M C -1.626 174.897 176.300 0.370 0.000 1.179 149 M CA -0.498 54.920 55.300 0.196 0.000 0.936 149 M CB 1.190 33.733 32.600 -0.094 0.000 1.713 149 M HN 0.562 nan 8.290 nan 0.000 0.460 150 N N 2.778 121.757 118.700 0.465 0.000 2.529 150 N HA 0.541 5.299 4.740 0.029 0.000 0.278 150 N C -1.324 174.462 175.510 0.461 0.000 1.146 150 N CA 0.098 53.440 53.050 0.488 0.000 0.980 150 N CB 0.540 39.228 38.487 0.335 0.000 1.124 150 N HN 0.724 nan 8.380 nan 0.000 0.458 151 Y N -1.875 118.594 120.300 0.283 0.000 2.553 151 Y HA 0.572 5.139 4.550 0.028 0.000 0.347 151 Y C 0.015 176.035 175.900 0.200 0.000 1.019 151 Y CA -1.367 56.848 58.100 0.191 0.000 1.032 151 Y CB 0.909 39.411 38.460 0.070 0.000 1.284 151 Y HN 0.200 nan 8.280 nan 0.000 0.466 152 R N 1.692 122.300 120.500 0.180 0.000 2.623 152 R HA 0.469 4.826 4.340 0.029 0.000 0.271 152 R C -0.302 176.100 176.300 0.170 0.000 1.043 152 R CA -0.046 56.107 56.100 0.088 0.000 1.083 152 R CB 0.785 31.108 30.300 0.038 0.000 0.974 152 R HN 0.729 nan 8.270 nan 0.000 0.436 153 V N -0.330 119.725 119.914 0.234 0.000 3.155 153 V HA 0.885 5.022 4.120 0.029 0.000 0.313 153 V C 0.721 177.121 176.094 0.510 0.000 1.162 153 V CA -0.080 62.491 62.300 0.451 0.000 1.048 153 V CB 1.222 33.228 31.823 0.306 0.000 1.092 153 V HN 0.962 nan 8.190 nan 0.000 0.447 154 G N 1.907 111.054 108.800 0.577 0.000 2.566 154 G HA2 -0.313 3.664 3.960 0.029 0.000 0.280 154 G HA3 -0.313 3.664 3.960 0.029 0.000 0.280 154 G C 1.052 176.114 174.900 0.269 0.000 1.225 154 G CA 1.576 46.943 45.100 0.444 0.000 0.966 154 G HN 2.381 nan 8.290 nan 0.000 0.560 155 T N -1.722 112.758 114.554 -0.124 0.000 2.833 155 T HA 0.021 4.388 4.350 0.029 0.000 0.269 155 T C 2.144 176.731 174.700 -0.187 0.000 1.054 155 T CA 2.359 64.129 62.100 -0.549 0.000 1.135 155 T CB -0.334 68.046 68.868 -0.814 0.000 0.869 155 T HN 0.515 nan 8.240 nan 0.000 0.466 156 F N 1.845 121.836 119.950 0.069 0.000 2.293 156 F HA 0.298 4.842 4.527 0.028 0.000 0.300 156 F C 2.599 178.388 175.800 -0.018 0.000 1.086 156 F CA 0.652 58.656 58.000 0.005 0.000 1.375 156 F CB -0.460 38.514 39.000 -0.042 0.000 1.045 156 F HN 0.382 nan 8.300 nan 0.000 0.516 157 G N -2.175 106.696 108.800 0.119 0.000 2.784 157 G HA2 0.063 4.040 3.960 0.029 0.000 0.208 157 G HA3 0.063 4.040 3.960 0.029 0.000 0.208 157 G C 0.885 175.363 174.900 -0.703 0.000 1.120 157 G CA 0.155 45.078 45.100 -0.296 0.000 0.774 157 G HN 0.292 nan 8.290 nan 0.000 0.528 158 F N -0.372 119.674 119.950 0.161 0.000 2.831 158 F HA 0.444 4.989 4.527 0.029 0.000 0.334 158 F C 0.590 176.469 175.800 0.130 0.000 1.071 158 F CA -0.991 57.084 58.000 0.124 0.000 1.172 158 F CB 0.408 39.496 39.000 0.146 0.000 1.054 158 F HN -0.087 nan 8.300 nan 0.000 0.572 159 L N 2.144 123.443 121.223 0.127 0.000 2.562 159 L HA 0.462 4.819 4.340 0.029 0.000 0.271 159 L C 0.056 176.909 176.870 -0.029 0.000 1.167 159 L CA -0.032 54.798 54.840 -0.016 0.000 0.917 159 L CB 0.047 41.824 42.059 -0.470 0.000 1.187 159 L HN 0.114 nan 8.230 nan 0.000 0.482 160 A N 6.309 129.160 122.820 0.052 0.000 2.355 160 A HA 0.697 5.035 4.320 0.029 0.000 0.324 160 A C -0.774 176.788 177.584 -0.036 0.000 1.117 160 A CA -0.636 51.399 52.037 -0.004 0.000 0.785 160 A CB 1.247 20.269 19.000 0.037 0.000 1.254 160 A HN 0.743 nan 8.150 nan 0.000 0.453 161 L N 2.874 124.062 121.223 -0.058 0.000 2.502 161 L HA 0.280 4.637 4.340 0.029 0.000 0.247 161 L C -2.444 174.412 176.870 -0.024 0.000 1.180 161 L CA -1.782 53.030 54.840 -0.047 0.000 0.956 161 L CB 1.241 43.258 42.059 -0.071 0.000 1.282 161 L HN 0.428 nan 8.230 nan 0.000 0.470 162 P HA -0.038 nan 4.420 nan 0.000 0.263 162 P C 1.023 178.322 177.300 -0.001 0.000 1.168 162 P CA 1.162 64.261 63.100 -0.001 0.000 0.759 162 P CB 0.733 32.433 31.700 -0.001 0.000 0.782 163 G N 1.592 110.395 108.800 0.006 0.000 2.253 163 G HA2 -0.256 3.721 3.960 0.029 0.000 0.251 163 G HA3 -0.256 3.721 3.960 0.029 0.000 0.251 163 G C 0.399 175.303 174.900 0.006 0.000 0.998 163 G CA 0.318 45.422 45.100 0.006 0.000 0.621 163 G HN 0.813 nan 8.290 nan 0.000 0.524 164 S N -0.217 115.484 115.700 0.001 0.000 2.603 164 S HA 0.615 5.102 4.470 0.029 0.000 0.268 164 S C 1.137 175.744 174.600 0.011 0.000 1.317 164 S CA 0.355 58.556 58.200 0.002 0.000 1.012 164 S CB 2.061 65.255 63.200 -0.009 0.000 0.926 164 S HN 0.456 nan 8.310 nan 0.000 0.539 165 R N 0.558 121.066 120.500 0.015 0.000 2.173 165 R HA -0.003 4.354 4.340 0.029 0.000 0.208 165 R C 1.328 177.646 176.300 0.030 0.000 1.035 165 R CA 1.015 57.128 56.100 0.023 0.000 1.004 165 R CB -0.042 30.271 30.300 0.021 0.000 0.917 165 R HN 0.911 nan 8.270 nan 0.000 0.462 166 E N -0.746 119.471 120.200 0.028 0.000 2.472 166 E HA 0.082 4.449 4.350 0.029 0.000 0.196 166 E C -0.383 176.256 176.600 0.065 0.000 1.033 166 E CA 0.204 56.632 56.400 0.047 0.000 0.886 166 E CB 1.030 30.758 29.700 0.047 0.000 0.944 166 E HN 0.176 nan 8.360 nan 0.000 0.492 167 A N 2.499 125.335 122.820 0.028 0.000 3.124 167 A HA 0.343 4.680 4.320 0.029 0.000 0.295 167 A C -2.323 175.261 177.584 -0.000 0.000 1.199 167 A CA -0.873 51.172 52.037 0.013 0.000 0.845 167 A CB 0.969 19.900 19.000 -0.115 0.000 1.381 167 A HN -0.067 nan 8.150 nan 0.000 0.537 168 P HA 0.209 nan 4.420 nan 0.000 0.245 168 P C 0.870 178.184 177.300 0.023 0.000 1.206 168 P CA 1.475 64.589 63.100 0.024 0.000 0.781 168 P CB 0.240 31.963 31.700 0.038 0.000 0.994 169 G N 1.153 109.964 108.800 0.018 0.000 2.733 169 G HA2 -0.191 3.786 3.960 0.029 0.000 0.686 169 G HA3 -0.191 3.786 3.960 0.029 0.000 0.686 169 G C -0.071 174.823 174.900 -0.010 0.000 1.373 169 G CA -0.286 44.827 45.100 0.022 0.000 0.838 169 G HN 0.162 nan 8.290 nan 0.000 0.588 170 N N -2.315 116.379 118.700 -0.010 0.000 2.800 170 N HA -0.273 4.485 4.740 0.029 0.000 0.250 170 N C 1.833 177.191 175.510 -0.253 0.000 1.078 170 N CA 2.323 55.305 53.050 -0.115 0.000 0.804 170 N CB -1.698 36.624 38.487 -0.274 0.000 1.135 170 N HN 1.902 nan 8.380 nan 0.000 0.565 171 V N -2.520 117.250 119.914 -0.241 0.000 2.427 171 V HA -0.016 4.121 4.120 0.029 0.000 0.248 171 V C 2.380 178.331 176.094 -0.237 0.000 1.051 171 V CA 2.332 64.526 62.300 -0.176 0.000 1.048 171 V CB -1.002 30.771 31.823 -0.082 0.000 0.666 171 V HN 0.267 nan 8.190 nan 0.000 0.456 172 G N 0.506 108.965 108.800 -0.570 0.000 2.469 172 G HA2 -0.192 3.785 3.960 0.029 0.000 0.220 172 G HA3 -0.192 3.785 3.960 0.029 0.000 0.220 172 G C 1.576 176.444 174.900 -0.053 0.000 1.136 172 G CA 1.357 46.222 45.100 -0.393 0.000 0.759 172 G HN 0.549 nan 8.290 nan 0.000 0.562 173 L N -0.451 120.692 121.223 -0.134 0.000 2.156 173 L HA 0.127 4.484 4.340 0.029 0.000 0.208 173 L C 2.810 179.663 176.870 -0.029 0.000 1.095 173 L CA 0.266 55.001 54.840 -0.174 0.000 0.770 173 L CB -0.263 41.397 42.059 -0.664 0.000 0.914 173 L HN 0.187 nan 8.230 nan 0.000 0.439 174 L N -0.552 120.650 121.223 -0.034 0.000 2.156 174 L HA -0.183 4.174 4.340 0.029 0.000 0.208 174 L C 2.182 179.160 176.870 0.180 0.000 1.095 174 L CA 0.756 55.686 54.840 0.150 0.000 0.770 174 L CB -0.503 41.628 42.059 0.120 0.000 0.914 174 L HN 0.244 nan 8.230 nan 0.000 0.439 175 D N 0.078 120.574 120.400 0.160 0.000 2.103 175 D HA -0.250 4.407 4.640 0.029 0.000 0.190 175 D C 2.206 178.645 176.300 0.232 0.000 0.997 175 D CA 1.385 55.559 54.000 0.290 0.000 0.833 175 D CB -0.312 40.674 40.800 0.308 0.000 0.961 175 D HN 0.370 nan 8.370 nan 0.000 0.447 176 Q N 0.013 119.890 119.800 0.127 0.000 2.077 176 Q HA -0.205 4.152 4.340 0.029 0.000 0.206 176 Q C 2.324 178.313 176.000 -0.018 0.000 0.989 176 Q CA 1.460 57.256 55.803 -0.012 0.000 0.853 176 Q CB -0.152 28.580 28.738 -0.011 0.000 0.907 176 Q HN 0.233 nan 8.270 nan 0.000 0.418 177 R N 0.470 121.080 120.500 0.184 0.000 2.091 177 R HA -0.188 4.169 4.340 0.029 0.000 0.238 177 R C 2.196 178.555 176.300 0.099 0.000 1.136 177 R CA 1.168 57.377 56.100 0.182 0.000 0.959 177 R CB -0.265 30.247 30.300 0.353 0.000 0.856 177 R HN 0.222 nan 8.270 nan 0.000 0.437 178 L N 0.819 122.121 121.223 0.132 0.000 2.083 178 L HA -0.047 4.310 4.340 0.029 0.000 0.209 178 L C 2.295 179.199 176.870 0.057 0.000 1.083 178 L CA 2.072 57.012 54.840 0.166 0.000 0.752 178 L CB -0.707 41.535 42.059 0.305 0.000 0.899 178 L HN 0.299 nan 8.230 nan 0.000 0.433 179 A N -0.638 122.009 122.820 -0.287 0.000 1.902 179 A HA -0.165 4.172 4.320 0.029 0.000 0.217 179 A C 2.219 179.760 177.584 -0.073 0.000 1.181 179 A CA 1.889 53.619 52.037 -0.512 0.000 0.623 179 A CB -0.816 17.639 19.000 -0.908 0.000 0.818 179 A HN 0.500 nan 8.150 nan 0.000 0.443 180 L N -1.338 119.845 121.223 -0.066 0.000 2.083 180 L HA -0.234 4.123 4.340 0.029 0.000 0.209 180 L C 2.822 179.744 176.870 0.087 0.000 1.083 180 L CA 1.633 56.478 54.840 0.008 0.000 0.752 180 L CB -0.677 41.346 42.059 -0.059 0.000 0.899 180 L HN 0.444 nan 8.230 nan 0.000 0.433 181 Q N -0.761 119.102 119.800 0.106 0.000 2.084 181 Q HA -0.254 4.103 4.340 0.029 0.000 0.202 181 Q C 2.046 178.142 176.000 0.161 0.000 0.978 181 Q CA 2.060 57.938 55.803 0.124 0.000 0.844 181 Q CB -0.251 28.569 28.738 0.136 0.000 0.898 181 Q HN 0.531 nan 8.270 nan 0.000 0.426 182 W N -0.338 120.981 121.300 0.031 0.000 2.363 182 W HA -0.205 4.472 4.660 0.029 0.000 0.296 182 W C 1.659 178.211 176.519 0.055 0.000 1.212 182 W CA 1.272 58.655 57.345 0.063 0.000 1.260 182 W CB -0.109 29.396 29.460 0.075 0.000 1.131 182 W HN -0.106 nan 8.180 nan 0.000 0.530 183 V N 0.794 120.871 119.914 0.271 0.000 2.307 183 V HA -0.326 3.811 4.120 0.029 0.000 0.245 183 V C 2.522 178.602 176.094 -0.024 0.000 1.045 183 V CA 2.002 64.368 62.300 0.110 0.000 1.024 183 V CB -1.070 30.874 31.823 0.202 0.000 0.651 183 V HN 0.141 nan 8.190 nan 0.000 0.449 184 Q N -0.003 119.809 119.800 0.020 0.000 2.197 184 Q HA -0.237 4.120 4.340 0.029 0.000 0.207 184 Q C 2.124 178.088 176.000 -0.059 0.000 0.984 184 Q CA 1.764 57.570 55.803 0.005 0.000 0.869 184 Q CB -0.251 28.502 28.738 0.025 0.000 0.906 184 Q HN 0.730 nan 8.270 nan 0.000 0.426 185 E N -1.105 119.016 120.200 -0.133 0.000 2.364 185 E HA 0.070 4.437 4.350 0.029 0.000 0.196 185 E C 0.904 177.336 176.600 -0.281 0.000 0.990 185 E CA 0.042 56.337 56.400 -0.175 0.000 0.886 185 E CB 0.438 30.046 29.700 -0.153 0.000 0.866 185 E HN 0.290 nan 8.360 nan 0.000 0.493 186 N N -0.240 118.188 118.700 -0.453 0.000 2.113 186 N HA 0.050 4.807 4.740 0.029 0.000 0.223 186 N C 1.138 176.514 175.510 -0.224 0.000 1.310 186 N CA 0.103 52.850 53.050 -0.505 0.000 0.896 186 N CB 0.817 38.627 38.487 -1.128 0.000 1.097 186 N HN 0.040 nan 8.380 nan 0.000 0.507 187 I N 2.073 122.549 120.570 -0.156 0.000 2.617 187 I HA 0.041 4.228 4.170 0.029 0.000 0.256 187 I C 2.190 178.390 176.117 0.138 0.000 1.167 187 I CA 0.479 61.812 61.300 0.055 0.000 1.469 187 I CB -0.092 37.923 38.000 0.025 0.000 1.098 187 I HN 0.029 nan 8.210 nan 0.000 0.436 188 A N 0.577 123.417 122.820 0.034 0.000 1.908 188 A HA -0.217 4.120 4.320 0.029 0.000 0.218 188 A C 2.486 180.072 177.584 0.003 0.000 1.181 188 A CA 1.823 53.870 52.037 0.017 0.000 0.627 188 A CB -1.255 17.732 19.000 -0.021 0.000 0.818 188 A HN 0.458 nan 8.150 nan 0.000 0.445 189 A N -1.899 120.892 122.820 -0.047 0.000 2.139 189 A HA -0.009 4.328 4.320 0.029 0.000 0.221 189 A C 1.530 178.924 177.584 -0.318 0.000 1.159 189 A CA 1.428 53.349 52.037 -0.193 0.000 0.662 189 A CB -0.686 18.137 19.000 -0.295 0.000 0.796 189 A HN 0.521 nan 8.150 nan 0.000 0.463 190 F N -1.757 118.130 119.950 -0.105 0.000 2.678 190 F HA 0.391 4.936 4.527 0.029 0.000 0.305 190 F C 1.775 177.569 175.800 -0.009 0.000 1.090 190 F CA 0.508 58.458 58.000 -0.084 0.000 1.272 190 F CB 0.434 39.388 39.000 -0.077 0.000 1.060 190 F HN 0.323 nan 8.300 nan 0.000 0.576 191 G N 0.228 109.103 108.800 0.125 0.000 2.175 191 G HA2 -0.210 3.767 3.960 0.029 0.000 0.244 191 G HA3 -0.210 3.767 3.960 0.029 0.000 0.244 191 G C 0.765 175.725 174.900 0.099 0.000 0.982 191 G CA -0.241 44.914 45.100 0.091 0.000 0.641 191 G HN 0.708 nan 8.290 nan 0.000 0.527 192 G N -0.301 108.578 108.800 0.132 0.000 2.527 192 G HA2 0.433 4.410 3.960 0.029 0.000 0.248 192 G HA3 0.433 4.410 3.960 0.029 0.000 0.248 192 G C -0.542 174.394 174.900 0.061 0.000 1.231 192 G CA 0.523 45.684 45.100 0.102 0.000 0.838 192 G HN 0.293 nan 8.290 nan 0.000 0.570 193 D N 1.213 121.639 120.400 0.043 0.000 2.412 193 D HA 0.311 4.968 4.640 0.029 0.000 0.224 193 D C -1.221 175.094 176.300 0.026 0.000 1.093 193 D CA -2.427 51.582 54.000 0.015 0.000 0.850 193 D CB 1.940 42.731 40.800 -0.016 0.000 1.046 193 D HN 0.059 nan 8.370 nan 0.000 0.507 194 P HA -0.046 nan 4.420 nan 0.000 0.237 194 P C 1.192 178.573 177.300 0.134 0.000 1.178 194 P CA 0.463 63.612 63.100 0.083 0.000 0.766 194 P CB 0.184 31.917 31.700 0.055 0.000 0.876 195 M N -1.140 118.463 119.600 0.004 0.000 2.618 195 M HA 0.071 4.568 4.480 0.029 0.000 0.240 195 M C 0.873 176.763 176.300 -0.683 0.000 1.123 195 M CA 0.825 56.034 55.300 -0.152 0.000 1.060 195 M CB -0.331 32.200 32.600 -0.115 0.000 1.535 195 M HN -0.095 nan 8.290 nan 0.000 0.507 196 S N 1.072 116.538 115.700 -0.390 0.000 2.359 196 S HA 0.359 4.846 4.470 0.029 0.000 0.148 196 S C -0.867 173.716 174.600 -0.028 0.000 1.610 196 S CA -0.426 57.554 58.200 -0.368 0.000 1.274 196 S CB 0.244 63.315 63.200 -0.215 0.000 1.380 196 S HN -0.004 nan 8.310 nan 0.000 0.380 197 V N 3.421 123.503 119.914 0.280 0.000 2.350 197 V HA 0.472 4.609 4.120 0.029 0.000 0.276 197 V C 0.317 176.598 176.094 0.312 0.000 1.028 197 V CA -0.242 62.243 62.300 0.307 0.000 0.860 197 V CB 1.443 33.468 31.823 0.336 0.000 0.990 197 V HN 0.661 nan 8.190 nan 0.000 0.453 198 T N 6.906 121.576 114.554 0.194 0.000 2.771 198 T HA 0.586 4.953 4.350 0.029 0.000 0.281 198 T C -0.184 174.649 174.700 0.223 0.000 0.982 198 T CA -0.333 61.880 62.100 0.189 0.000 0.978 198 T CB 0.860 69.774 68.868 0.076 0.000 0.930 198 T HN 0.343 nan 8.240 nan 0.000 0.447 199 L N 4.904 126.240 121.223 0.189 0.000 2.312 199 L HA 0.683 5.040 4.340 0.029 0.000 0.281 199 L C -0.444 176.634 176.870 0.346 0.000 1.070 199 L CA -0.879 54.040 54.840 0.131 0.000 0.805 199 L CB 0.404 42.318 42.059 -0.243 0.000 1.174 199 L HN 0.617 nan 8.230 nan 0.000 0.434 200 F N 0.421 120.433 119.950 0.104 0.000 2.599 200 F HA 0.976 5.520 4.527 0.028 0.000 0.311 200 F C -0.272 175.509 175.800 -0.032 0.000 1.076 200 F CA -1.620 56.484 58.000 0.174 0.000 0.937 200 F CB 1.595 40.847 39.000 0.421 0.000 1.282 200 F HN 0.464 nan 8.300 nan 0.000 0.460 201 G N 0.913 109.565 108.800 -0.246 0.000 2.646 201 G HA2 0.497 4.474 3.960 0.029 0.000 0.291 201 G HA3 0.497 4.474 3.960 0.029 0.000 0.291 201 G C -2.394 172.245 174.900 -0.435 0.000 1.445 201 G CA -0.736 43.790 45.100 -0.956 0.000 0.814 201 G HN 0.887 nan 8.290 nan 0.000 0.495 205 G N 0.611 109.169 108.800 -0.404 0.000 2.422 205 G HA2 0.117 4.095 3.960 0.029 0.000 0.218 205 G HA3 0.117 4.095 3.960 0.029 0.000 0.218 205 G C 1.652 176.352 174.900 -0.334 0.000 1.146 205 G CA 1.822 46.633 45.100 -0.481 0.000 0.769 205 G HN 1.225 nan 8.290 nan 0.000 0.547 206 A N 1.308 124.012 122.820 -0.193 0.000 1.877 206 A HA 0.250 4.587 4.320 0.029 0.000 0.216 206 A C 2.840 180.410 177.584 -0.023 0.000 1.186 206 A CA 2.334 54.333 52.037 -0.064 0.000 0.620 206 A CB -0.906 18.115 19.000 0.036 0.000 0.822 206 A HN 0.819 nan 8.150 nan 0.000 0.443 207 A N -0.471 122.368 122.820 0.032 0.000 1.940 207 A HA -0.075 4.262 4.320 0.029 0.000 0.219 207 A C 2.431 180.043 177.584 0.047 0.000 1.176 207 A CA 2.145 54.203 52.037 0.036 0.000 0.631 207 A CB -0.805 18.245 19.000 0.083 0.000 0.814 207 A HN 0.478 nan 8.150 nan 0.000 0.446 208 S N -0.390 115.333 115.700 0.039 0.000 2.345 208 S HA -0.130 4.357 4.470 0.029 0.000 0.220 208 S C 1.898 176.518 174.600 0.033 0.000 1.031 208 S CA 1.306 59.511 58.200 0.009 0.000 0.996 208 S CB -0.670 62.457 63.200 -0.123 0.000 0.882 208 S HN 0.331 nan 8.310 nan 0.000 0.445 209 V N 1.980 121.885 119.914 -0.015 0.000 2.278 209 V HA -0.260 3.877 4.120 0.029 0.000 0.251 209 V C 2.616 178.717 176.094 0.013 0.000 1.062 209 V CA 2.161 64.444 62.300 -0.030 0.000 1.038 209 V CB -1.545 30.225 31.823 -0.088 0.000 0.646 209 V HN 0.623 nan 8.190 nan 0.000 0.447 210 G N -1.359 107.442 108.800 0.002 0.000 2.418 210 G HA2 -0.275 3.702 3.960 0.029 0.000 0.217 210 G HA3 -0.275 3.702 3.960 0.029 0.000 0.217 210 G C 1.603 176.521 174.900 0.029 0.000 1.158 210 G CA 1.067 46.170 45.100 0.005 0.000 0.771 210 G HN 0.460 nan 8.290 nan 0.000 0.545 211 M N -0.070 119.533 119.600 0.004 0.000 2.296 211 M HA 0.003 4.500 4.480 0.029 0.000 0.265 211 M C 2.282 178.604 176.300 0.037 0.000 1.064 211 M CA 0.864 56.177 55.300 0.021 0.000 1.109 211 M CB -0.228 32.370 32.600 -0.003 0.000 1.396 211 M HN 0.238 nan 8.290 nan 0.000 0.430 212 H N -0.235 118.915 119.070 0.133 0.000 2.389 212 H HA -0.028 4.545 4.556 0.028 0.000 0.299 212 H C 2.141 177.642 175.328 0.288 0.000 1.081 212 H CA 1.478 57.612 56.048 0.144 0.000 1.345 212 H CB -0.278 29.445 29.762 -0.066 0.000 1.393 212 H HN 0.411 nan 8.280 nan 0.000 0.520 213 I N 0.830 121.634 120.570 0.389 0.000 2.286 213 I HA -0.249 3.938 4.170 0.029 0.000 0.248 213 I C 1.963 178.236 176.117 0.261 0.000 1.115 213 I CA 1.098 62.632 61.300 0.389 0.000 1.392 213 I CB -0.101 38.032 38.000 0.221 0.000 1.065 213 I HN 0.118 nan 8.210 nan 0.000 0.418 214 L N -0.819 120.509 121.223 0.174 0.000 2.591 214 L HA 0.091 4.448 4.340 0.029 0.000 0.228 214 L C 0.907 177.799 176.870 0.037 0.000 1.133 214 L CA 0.021 54.943 54.840 0.136 0.000 0.880 214 L CB -0.087 42.035 42.059 0.105 0.000 1.033 214 L HN 0.058 nan 8.230 nan 0.000 0.450 215 S N -0.479 115.204 115.700 -0.027 0.000 2.498 215 S HA 0.302 4.789 4.470 0.029 0.000 0.317 215 S C 0.553 175.061 174.600 -0.154 0.000 1.090 215 S CA -0.637 57.428 58.200 -0.224 0.000 1.089 215 S CB 1.810 64.584 63.200 -0.710 0.000 0.997 215 S HN 0.128 nan 8.310 nan 0.000 0.470 216 L N 6.777 127.917 121.223 -0.140 0.000 2.046 216 L HA 0.138 4.495 4.340 0.029 0.000 0.208 216 L C -0.983 175.841 176.870 -0.076 0.000 1.077 216 L CA 1.776 56.565 54.840 -0.086 0.000 0.747 216 L CB -0.819 41.195 42.059 -0.075 0.000 0.896 216 L HN 0.532 nan 8.230 nan 0.000 0.432 217 P HA -0.133 nan 4.420 nan 0.000 0.215 217 P C 1.785 179.088 177.300 0.004 0.000 1.153 217 P CA 1.515 64.585 63.100 -0.049 0.000 0.853 217 P CB 0.007 31.674 31.700 -0.056 0.000 0.788 218 S N -0.735 114.989 115.700 0.040 0.000 2.383 218 S HA -0.158 4.329 4.470 0.029 0.000 0.229 218 S C 1.937 176.674 174.600 0.229 0.000 1.030 218 S CA 0.971 59.306 58.200 0.226 0.000 1.002 218 S CB -0.587 62.876 63.200 0.438 0.000 0.829 218 S HN 0.085 nan 8.310 nan 0.000 0.467 219 R N 1.759 122.291 120.500 0.054 0.000 2.117 219 R HA -0.069 4.288 4.340 0.029 0.000 0.243 219 R C 2.355 178.445 176.300 -0.350 0.000 1.143 219 R CA 1.585 57.543 56.100 -0.236 0.000 0.968 219 R CB -1.334 28.866 30.300 -0.167 0.000 0.863 219 R HN 0.615 nan 8.270 nan 0.000 0.444 220 S N -0.132 115.466 115.700 -0.170 0.000 2.660 220 S HA 0.071 4.559 4.470 0.029 0.000 0.223 220 S C 1.547 176.056 174.600 -0.152 0.000 0.963 220 S CA 0.241 58.340 58.200 -0.169 0.000 0.932 220 S CB -0.180 62.967 63.200 -0.088 0.000 0.775 220 S HN 0.235 nan 8.310 nan 0.000 0.531 221 L N 0.103 121.269 121.223 -0.096 0.000 2.858 221 L HA 0.519 4.876 4.340 0.029 0.000 0.251 221 L C -0.120 176.808 176.870 0.097 0.000 1.149 221 L CA -0.428 54.431 54.840 0.032 0.000 0.955 221 L CB 0.228 42.363 42.059 0.127 0.000 1.289 221 L HN 0.516 nan 8.230 nan 0.000 0.542 222 F N -4.234 115.551 119.950 -0.275 0.000 2.741 222 F HA 0.474 5.018 4.527 0.029 0.000 0.313 222 F C 0.310 175.854 175.800 -0.426 0.000 1.153 222 F CA -0.966 56.881 58.000 -0.254 0.000 0.931 222 F CB 0.834 39.797 39.000 -0.062 0.000 1.335 222 F HN -0.144 nan 8.300 nan 0.000 0.460 223 H N -0.610 118.508 119.070 0.079 0.000 3.091 223 H HA 0.446 5.019 4.556 0.028 0.000 0.249 223 H C -0.043 175.293 175.328 0.012 0.000 0.985 223 H CA -0.067 55.947 56.048 -0.056 0.000 1.177 223 H CB 1.114 30.850 29.762 -0.044 0.000 1.456 223 H HN 0.436 nan 8.280 nan 0.000 0.467 224 R N 0.152 120.825 120.500 0.288 0.000 2.817 224 R HA 0.722 5.079 4.340 0.029 0.000 0.268 224 R C -1.459 175.083 176.300 0.404 0.000 1.027 224 R CA -0.619 55.611 56.100 0.216 0.000 0.928 224 R CB 2.851 33.060 30.300 -0.152 0.000 1.228 224 R HN 0.151 nan 8.270 nan 0.000 0.469 225 A N 0.744 123.822 122.820 0.428 0.000 2.549 225 A HA 0.679 5.017 4.320 0.029 0.000 0.297 225 A C -1.570 176.192 177.584 0.295 0.000 1.061 225 A CA -0.597 51.639 52.037 0.333 0.000 0.690 225 A CB 1.877 21.025 19.000 0.247 0.000 1.287 225 A HN 0.295 nan 8.150 nan 0.000 0.402 226 V N 1.604 121.644 119.914 0.210 0.000 2.531 226 V HA 0.545 4.682 4.120 0.029 0.000 0.301 226 V C -1.121 175.057 176.094 0.141 0.000 1.034 226 V CA -0.340 62.016 62.300 0.093 0.000 0.865 226 V CB 1.271 33.186 31.823 0.153 0.000 0.995 226 V HN 0.679 nan 8.190 nan 0.000 0.424 227 L N 5.073 126.342 121.223 0.077 0.000 2.316 227 L HA 0.541 4.898 4.340 0.029 0.000 0.280 227 L C -0.059 176.889 176.870 0.131 0.000 1.006 227 L CA 0.016 54.901 54.840 0.075 0.000 0.836 227 L CB 1.591 43.656 42.059 0.012 0.000 1.221 227 L HN 0.644 nan 8.230 nan 0.000 0.418 228 Q N 1.865 121.796 119.800 0.217 0.000 2.325 228 Q HA 0.454 4.812 4.340 0.029 0.000 0.262 228 Q C 0.243 176.362 176.000 0.198 0.000 0.968 228 Q CA -0.617 55.370 55.803 0.306 0.000 0.877 228 Q CB 1.476 30.497 28.738 0.471 0.000 1.253 228 Q HN 0.598 nan 8.270 nan 0.000 0.448 229 S N 0.988 116.797 115.700 0.182 0.000 3.549 229 S HA -0.180 4.308 4.470 0.029 0.000 0.366 229 S C 0.077 174.834 174.600 0.261 0.000 1.012 229 S CA 0.588 58.914 58.200 0.211 0.000 1.141 229 S CB -1.208 62.139 63.200 0.246 0.000 0.910 229 S HN 0.981 nan 8.310 nan 0.000 0.471 230 G N -0.623 108.308 108.800 0.219 0.000 2.547 230 G HA2 0.670 4.647 3.960 0.029 0.000 0.291 230 G HA3 0.670 4.647 3.960 0.029 0.000 0.291 230 G C -0.926 174.073 174.900 0.164 0.000 1.471 230 G CA 0.157 45.456 45.100 0.331 0.000 0.798 230 G HN 0.984 nan 8.290 nan 0.000 0.504 231 T N -1.846 112.764 114.554 0.093 0.000 2.853 231 T HA 0.722 5.089 4.350 0.029 0.000 0.311 231 T C -2.561 172.010 174.700 -0.215 0.000 1.307 231 T CA -1.307 60.753 62.100 -0.067 0.000 1.019 231 T CB 2.694 71.516 68.868 -0.076 0.000 1.264 231 T HN 0.219 nan 8.240 nan 0.000 0.497 232 P HA 0.018 nan 4.420 nan 0.000 0.218 232 P C 0.537 177.691 177.300 -0.243 0.000 1.152 232 P CA 0.626 63.607 63.100 -0.198 0.000 0.826 232 P CB -0.135 31.503 31.700 -0.102 0.000 0.790 233 N N 0.736 119.324 118.700 -0.186 0.000 2.288 233 N HA 0.227 4.984 4.740 0.029 0.000 0.237 233 N C 0.756 176.103 175.510 -0.272 0.000 1.311 233 N CA 0.872 53.816 53.050 -0.177 0.000 0.909 233 N CB -0.298 38.128 38.487 -0.102 0.000 1.167 233 N HN 0.232 nan 8.380 nan 0.000 0.476 234 G N -1.177 107.489 108.800 -0.223 0.000 2.612 234 G HA2 -0.126 3.851 3.960 0.029 0.000 0.686 234 G HA3 -0.126 3.851 3.960 0.029 0.000 0.686 234 G C -1.945 172.782 174.900 -0.287 0.000 1.274 234 G CA -0.260 44.679 45.100 -0.268 0.000 0.849 234 G HN 0.496 nan 8.290 nan 0.000 0.595 235 P HA -0.045 nan 4.420 nan 0.000 0.218 235 P C 1.659 178.943 177.300 -0.027 0.000 1.148 235 P CA 2.587 65.611 63.100 -0.127 0.000 0.822 235 P CB -0.099 31.468 31.700 -0.221 0.000 0.784 236 W N -1.254 120.038 121.300 -0.014 0.000 2.915 236 W HA 0.564 5.241 4.660 0.028 0.000 0.276 236 W C 1.350 177.982 176.519 0.189 0.000 1.215 236 W CA 0.455 57.872 57.345 0.120 0.000 1.514 236 W CB -0.908 28.780 29.460 0.380 0.000 1.017 236 W HN -0.154 nan 8.180 nan 0.000 0.598 237 A N 1.774 124.276 122.820 -0.530 0.000 2.072 237 A HA 0.151 4.488 4.320 0.029 0.000 0.216 237 A C 1.064 178.464 177.584 -0.306 0.000 1.156 237 A CA 1.676 53.402 52.037 -0.519 0.000 0.701 237 A CB -0.749 17.672 19.000 -0.965 0.000 0.816 237 A HN 0.212 nan 8.150 nan 0.000 0.458 238 T N -2.727 111.683 114.554 -0.239 0.000 2.896 238 T HA 0.619 4.986 4.350 0.029 0.000 0.297 238 T C -0.698 173.921 174.700 -0.135 0.000 1.108 238 T CA -0.135 61.841 62.100 -0.208 0.000 1.004 238 T CB 1.500 70.255 68.868 -0.189 0.000 1.159 238 T HN 0.829 nan 8.240 nan 0.000 0.499 239 V N -1.305 118.538 119.914 -0.118 0.000 3.040 239 V HA 0.895 5.032 4.120 0.029 0.000 0.312 239 V C 0.109 176.162 176.094 -0.069 0.000 1.115 239 V CA -1.152 61.095 62.300 -0.088 0.000 0.998 239 V CB 1.509 33.280 31.823 -0.087 0.000 1.042 239 V HN 1.285 nan 8.190 nan 0.000 0.433 240 S N 1.633 117.299 115.700 -0.057 0.000 2.592 240 S HA 0.618 5.105 4.470 0.029 0.000 0.271 240 S C 1.400 175.979 174.600 -0.035 0.000 1.326 240 S CA 0.017 58.191 58.200 -0.042 0.000 1.024 240 S CB 1.316 64.493 63.200 -0.039 0.000 0.921 240 S HN 1.880 nan 8.310 nan 0.000 0.527 241 A N 3.219 126.025 122.820 -0.024 0.000 1.884 241 A HA -0.034 4.303 4.320 0.029 0.000 0.219 241 A C 2.267 179.838 177.584 -0.020 0.000 1.197 241 A CA 2.201 54.228 52.037 -0.017 0.000 0.637 241 A CB -1.961 17.033 19.000 -0.010 0.000 0.827 241 A HN 1.200 nan 8.150 nan 0.000 0.450 242 G N -0.527 108.260 108.800 -0.023 0.000 2.491 242 G HA2 -0.332 3.645 3.960 0.029 0.000 0.218 242 G HA3 -0.332 3.645 3.960 0.029 0.000 0.218 242 G C 1.467 176.348 174.900 -0.032 0.000 1.180 242 G CA 1.603 46.688 45.100 -0.025 0.000 0.774 242 G HN 0.637 nan 8.290 nan 0.000 0.562 243 E N 0.927 121.103 120.200 -0.040 0.000 2.150 243 E HA 0.122 4.489 4.350 0.029 0.000 0.193 243 E C 2.578 179.140 176.600 -0.064 0.000 0.985 243 E CA 1.386 57.754 56.400 -0.054 0.000 0.814 243 E CB -0.506 29.156 29.700 -0.063 0.000 0.752 243 E HN 0.314 nan 8.360 nan 0.000 0.466 244 A N 0.921 123.711 122.820 -0.049 0.000 1.873 244 A HA -0.144 4.193 4.320 0.029 0.000 0.215 244 A C 2.307 179.885 177.584 -0.010 0.000 1.186 244 A CA 1.611 53.629 52.037 -0.033 0.000 0.616 244 A CB -0.611 18.387 19.000 -0.004 0.000 0.823 244 A HN 0.277 nan 8.150 nan 0.000 0.442 245 R N -0.616 119.876 120.500 -0.015 0.000 2.096 245 R HA -0.126 4.231 4.340 0.029 0.000 0.235 245 R C 2.428 178.718 176.300 -0.016 0.000 1.127 245 R CA 1.498 57.590 56.100 -0.015 0.000 0.968 245 R CB -0.269 30.020 30.300 -0.018 0.000 0.861 245 R HN 0.517 nan 8.270 nan 0.000 0.440 246 R N 0.402 120.887 120.500 -0.025 0.000 2.066 246 R HA -0.084 4.273 4.340 0.029 0.000 0.232 246 R C 2.156 178.440 176.300 -0.027 0.000 1.131 246 R CA 1.559 57.642 56.100 -0.028 0.000 0.955 246 R CB -0.064 30.213 30.300 -0.038 0.000 0.851 246 R HN 0.249 nan 8.270 nan 0.000 0.432 247 R N -0.292 120.177 120.500 -0.051 0.000 2.148 247 R HA -0.028 4.330 4.340 0.029 0.000 0.227 247 R C 2.208 178.556 176.300 0.081 0.000 1.103 247 R CA 1.031 57.083 56.100 -0.079 0.000 0.983 247 R CB -0.147 29.973 30.300 -0.300 0.000 0.874 247 R HN 0.227 nan 8.270 nan 0.000 0.451 248 A N 1.037 123.923 122.820 0.110 0.000 1.840 248 A HA -0.160 4.177 4.320 0.029 0.000 0.214 248 A C 2.336 179.940 177.584 0.032 0.000 1.198 248 A CA 1.939 54.050 52.037 0.124 0.000 0.608 248 A CB -1.046 17.969 19.000 0.025 0.000 0.839 248 A HN 0.441 nan 8.150 nan 0.000 0.443 249 T N -1.573 112.982 114.554 0.002 0.000 2.788 249 T HA -0.167 4.200 4.350 0.029 0.000 0.268 249 T C 1.760 176.459 174.700 -0.002 0.000 1.044 249 T CA 1.609 63.701 62.100 -0.013 0.000 1.139 249 T CB -0.526 68.331 68.868 -0.018 0.000 0.867 249 T HN 0.233 nan 8.240 nan 0.000 0.454 250 L N 0.617 121.847 121.223 0.012 0.000 2.083 250 L HA 0.226 4.583 4.340 0.029 0.000 0.209 250 L C 2.321 179.210 176.870 0.031 0.000 1.083 250 L CA 1.445 56.294 54.840 0.015 0.000 0.752 250 L CB -1.098 40.969 42.059 0.013 0.000 0.899 250 L HN 0.355 nan 8.230 nan 0.000 0.433 251 L N -0.333 120.936 121.223 0.077 0.000 2.056 251 L HA -0.059 4.298 4.340 0.029 0.000 0.207 251 L C 2.485 179.358 176.870 0.005 0.000 1.078 251 L CA 1.899 56.791 54.840 0.086 0.000 0.749 251 L CB -0.824 41.344 42.059 0.181 0.000 0.901 251 L HN 0.274 nan 8.230 nan 0.000 0.433 252 A N -0.222 122.589 122.820 -0.015 0.000 1.865 252 A HA -0.279 4.058 4.320 0.029 0.000 0.217 252 A C 2.528 180.092 177.584 -0.034 0.000 1.191 252 A CA 1.932 53.949 52.037 -0.033 0.000 0.623 252 A CB -0.776 18.198 19.000 -0.043 0.000 0.826 252 A HN 0.498 nan 8.150 nan 0.000 0.444 253 R N -0.538 119.943 120.500 -0.031 0.000 2.139 253 R HA -0.084 4.273 4.340 0.029 0.000 0.243 253 R C 1.831 178.093 176.300 -0.064 0.000 1.145 253 R CA 1.444 57.523 56.100 -0.035 0.000 0.976 253 R CB -0.363 29.923 30.300 -0.024 0.000 0.866 253 R HN 0.552 nan 8.270 nan 0.000 0.449 254 L N 0.599 121.763 121.223 -0.098 0.000 2.376 254 L HA -0.042 4.316 4.340 0.029 0.000 0.219 254 L C 1.091 177.761 176.870 -0.333 0.000 1.133 254 L CA 0.498 55.200 54.840 -0.231 0.000 0.816 254 L CB 0.426 42.318 42.059 -0.278 0.000 0.933 254 L HN 0.165 nan 8.230 nan 0.000 0.449 255 V N -3.968 115.856 119.914 -0.151 0.000 2.940 255 V HA 0.514 4.651 4.120 0.029 0.000 0.366 255 V C 0.863 176.952 176.094 -0.009 0.000 1.353 255 V CA -0.064 62.209 62.300 -0.046 0.000 1.232 255 V CB -0.274 31.580 31.823 0.052 0.000 1.278 255 V HN 0.329 nan 8.190 nan 0.000 0.546 256 G N 0.176 108.961 108.800 -0.024 0.000 2.314 256 G HA2 -0.229 3.749 3.960 0.029 0.000 0.292 256 G HA3 -0.229 3.749 3.960 0.029 0.000 0.292 256 G C 0.029 174.927 174.900 -0.003 0.000 1.059 256 G CA 0.353 45.448 45.100 -0.007 0.000 0.982 256 G HN 0.794 nan 8.290 nan 0.000 0.505 266 D N 1.229 121.620 120.400 -0.015 0.000 2.104 266 D HA -0.124 4.533 4.640 0.029 0.000 0.194 266 D C 1.467 177.757 176.300 -0.017 0.000 0.994 266 D CA 1.939 55.926 54.000 -0.022 0.000 0.830 266 D CB 0.008 40.796 40.800 -0.019 0.000 0.959 266 D HN 0.577 nan 8.370 nan 0.000 0.452 267 T N 0.913 115.463 114.554 -0.006 0.000 2.684 267 T HA -0.157 4.210 4.350 0.029 0.000 0.267 267 T C 1.825 176.528 174.700 0.005 0.000 1.036 267 T CA 1.375 63.477 62.100 0.003 0.000 1.148 267 T CB -0.284 68.588 68.868 0.006 0.000 0.863 267 T HN 0.299 nan 8.240 nan 0.000 0.436 268 E N 0.475 120.676 120.200 0.001 0.000 2.152 268 E HA 0.032 4.400 4.350 0.029 0.000 0.192 268 E C 2.156 178.756 176.600 -0.000 0.000 0.983 268 E CA 0.426 56.828 56.400 0.003 0.000 0.818 268 E CB -0.202 29.498 29.700 0.001 0.000 0.758 268 E HN 0.329 nan 8.360 nan 0.000 0.467 269 L N 0.666 121.882 121.223 -0.012 0.000 2.056 269 L HA -0.156 4.201 4.340 0.029 0.000 0.207 269 L C 2.090 178.943 176.870 -0.028 0.000 1.078 269 L CA 1.165 55.991 54.840 -0.025 0.000 0.749 269 L CB 0.007 42.041 42.059 -0.040 0.000 0.901 269 L HN 0.113 nan 8.230 nan 0.000 0.433 270 I N -0.531 120.023 120.570 -0.028 0.000 2.233 270 I HA -0.236 3.951 4.170 0.029 0.000 0.243 270 I C 2.727 178.892 176.117 0.080 0.000 1.093 270 I CA 1.023 62.321 61.300 -0.003 0.000 1.380 270 I CB -0.640 37.361 38.000 0.002 0.000 1.067 270 I HN 0.272 nan 8.210 nan 0.000 0.413 271 A N -0.111 122.742 122.820 0.054 0.000 1.927 271 A HA -0.349 3.988 4.320 0.029 0.000 0.220 271 A C 2.534 180.149 177.584 0.052 0.000 1.185 271 A CA 2.322 54.391 52.037 0.053 0.000 0.639 271 A CB -1.508 17.512 19.000 0.032 0.000 0.820 271 A HN 0.643 nan 8.150 nan 0.000 0.451 272 c N -0.858 117.766 118.600 0.039 0.000 2.446 272 c HA 0.022 4.610 4.570 0.029 0.000 0.277 272 c C 2.638 176.760 174.090 0.053 0.000 1.275 272 c CA 1.056 57.406 56.329 0.034 0.000 1.727 272 c CB -1.573 40.948 42.510 0.018 0.000 2.010 272 c HN 0.601 nan 8.230 nan 0.000 0.486 273 L N 0.406 121.674 121.223 0.076 0.000 2.046 273 L HA -0.132 4.225 4.340 0.029 0.000 0.208 273 L C 3.001 179.975 176.870 0.174 0.000 1.077 273 L CA 1.592 56.511 54.840 0.133 0.000 0.747 273 L CB -0.713 41.433 42.059 0.146 0.000 0.896 273 L HN 0.318 nan 8.230 nan 0.000 0.432 274 R N -0.376 120.237 120.500 0.189 0.000 2.170 274 R HA -0.173 4.185 4.340 0.029 0.000 0.242 274 R C 2.212 178.523 176.300 0.018 0.000 1.145 274 R CA 1.893 58.036 56.100 0.071 0.000 0.984 274 R CB -0.637 29.703 30.300 0.067 0.000 0.869 274 R HN 0.547 nan 8.270 nan 0.000 0.455 275 T N -1.481 113.093 114.554 0.033 0.000 3.085 275 T HA 0.054 4.421 4.350 0.029 0.000 0.263 275 T C 0.880 175.589 174.700 0.015 0.000 1.127 275 T CA 0.131 62.241 62.100 0.018 0.000 1.103 275 T CB 0.130 69.010 68.868 0.022 0.000 0.921 275 T HN -0.124 nan 8.240 nan 0.000 0.510 276 R N 2.709 123.222 120.500 0.022 0.000 2.297 276 R HA 0.419 4.776 4.340 0.029 0.000 0.308 276 R C -2.604 173.699 176.300 0.005 0.000 1.029 276 R CA -2.880 53.234 56.100 0.023 0.000 0.929 276 R CB 0.290 30.614 30.300 0.041 0.000 1.046 276 R HN 0.273 nan 8.270 nan 0.000 0.461 277 P HA -0.093 nan 4.420 nan 0.000 0.266 277 P C 0.376 177.652 177.300 -0.040 0.000 1.186 277 P CA 0.252 63.333 63.100 -0.032 0.000 0.767 277 P CB 0.468 32.159 31.700 -0.015 0.000 0.820 278 A N 2.896 125.627 122.820 -0.147 0.000 1.892 278 A HA -0.280 4.057 4.320 0.029 0.000 0.218 278 A C 2.188 179.752 177.584 -0.033 0.000 1.188 278 A CA 2.218 54.156 52.037 -0.165 0.000 0.631 278 A CB -1.232 17.161 19.000 -1.011 0.000 0.822 278 A HN 0.557 nan 8.150 nan 0.000 0.447 279 Q N -0.155 119.599 119.800 -0.077 0.000 2.364 279 Q HA -0.118 4.239 4.340 0.029 0.000 0.207 279 Q C 1.104 177.199 176.000 0.159 0.000 0.970 279 Q CA 1.649 57.580 55.803 0.212 0.000 0.888 279 Q CB -0.311 28.566 28.738 0.230 0.000 0.951 279 Q HN 0.646 nan 8.270 nan 0.000 0.469 280 D N -0.328 120.131 120.400 0.099 0.000 2.084 280 D HA -0.138 4.520 4.640 0.029 0.000 0.196 280 D C 1.725 178.100 176.300 0.125 0.000 0.985 280 D CA 1.255 55.316 54.000 0.102 0.000 0.826 280 D CB -0.227 40.634 40.800 0.102 0.000 0.978 280 D HN 0.309 nan 8.370 nan 0.000 0.456 281 L N 0.277 121.559 121.223 0.098 0.000 2.042 281 L HA -0.157 4.201 4.340 0.029 0.000 0.210 281 L C 2.500 179.419 176.870 0.082 0.000 1.076 281 L CA 0.681 55.545 54.840 0.040 0.000 0.749 281 L CB -0.611 41.348 42.059 -0.167 0.000 0.893 281 L HN -0.050 nan 8.230 nan 0.000 0.432 282 V N -0.303 119.732 119.914 0.202 0.000 2.515 282 V HA -0.251 3.886 4.120 0.029 0.000 0.250 282 V C 2.067 178.272 176.094 0.184 0.000 1.058 282 V CA 1.675 64.138 62.300 0.272 0.000 1.064 282 V CB -0.554 31.551 31.823 0.471 0.000 0.675 282 V HN 0.407 nan 8.190 nan 0.000 0.461 283 D N -0.714 119.727 120.400 0.068 0.000 2.182 283 D HA -0.142 4.515 4.640 0.029 0.000 0.201 283 D C 1.792 177.870 176.300 -0.370 0.000 0.986 283 D CA 1.321 55.240 54.000 -0.134 0.000 0.847 283 D CB -0.163 40.455 40.800 -0.302 0.000 0.942 283 D HN 0.522 nan 8.370 nan 0.000 0.467 284 H N -0.766 118.283 119.070 -0.035 0.000 2.672 284 H HA 0.185 4.759 4.556 0.029 0.000 0.277 284 H C 1.366 176.645 175.328 -0.081 0.000 1.074 284 H CA -0.078 55.899 56.048 -0.117 0.000 1.173 284 H CB 0.604 30.397 29.762 0.052 0.000 1.558 284 H HN 0.263 nan 8.280 nan 0.000 0.539 285 E N 0.347 120.547 120.200 -0.001 0.000 2.118 285 E HA -0.173 4.194 4.350 0.029 0.000 0.195 285 E C 0.647 177.127 176.600 -0.199 0.000 0.992 285 E CA 1.052 57.410 56.400 -0.070 0.000 0.804 285 E CB 0.123 29.676 29.700 -0.245 0.000 0.741 285 E HN 0.432 nan 8.360 nan 0.000 0.458 286 W N -0.971 120.276 121.300 -0.088 0.000 3.316 286 W HA 0.147 4.825 4.660 0.029 0.000 0.327 286 W C 0.729 177.312 176.519 0.106 0.000 1.232 286 W CA -0.108 57.192 57.345 -0.074 0.000 1.805 286 W CB 0.364 29.712 29.460 -0.187 0.000 1.090 286 W HN 0.162 nan 8.180 nan 0.000 0.654 287 H N -1.397 117.820 119.070 0.245 0.000 2.592 287 H HA 0.113 4.686 4.556 0.028 0.000 0.279 287 H C 1.574 176.970 175.328 0.115 0.000 1.089 287 H CA -0.210 55.949 56.048 0.186 0.000 1.150 287 H CB 0.583 30.478 29.762 0.221 0.000 1.575 287 H HN -0.020 nan 8.280 nan 0.000 0.547 288 V N 0.504 120.524 119.914 0.178 0.000 2.725 288 V HA -0.015 4.122 4.120 0.029 0.000 0.247 288 V C 0.724 176.826 176.094 0.013 0.000 1.058 288 V CA 0.965 63.303 62.300 0.064 0.000 1.080 288 V CB 0.252 32.058 31.823 -0.029 0.000 0.713 288 V HN 0.290 nan 8.190 nan 0.000 0.465 289 L N 2.118 123.360 121.223 0.031 0.000 2.337 289 L HA 0.328 4.685 4.340 0.029 0.000 0.269 289 L C -1.471 175.447 176.870 0.080 0.000 1.018 289 L CA -1.338 53.517 54.840 0.025 0.000 0.876 289 L CB 1.846 43.895 42.059 -0.017 0.000 1.236 289 L HN 0.088 nan 8.230 nan 0.000 0.436 290 P HA -0.162 nan 4.420 nan 0.000 0.217 290 P C -0.121 177.206 177.300 0.046 0.000 1.151 290 P CA 0.539 63.679 63.100 0.066 0.000 0.828 290 P CB 0.073 31.794 31.700 0.034 0.000 0.788 291 Q N 1.808 121.624 119.800 0.026 0.000 3.892 291 Q HA -0.181 4.176 4.340 0.029 0.000 0.387 291 Q C 0.357 176.369 176.000 0.019 0.000 1.062 291 Q CA 0.491 56.301 55.803 0.012 0.000 1.333 291 Q CB -0.929 27.806 28.738 -0.005 0.000 0.993 291 Q HN 0.434 nan 8.270 nan 0.000 0.454 292 E N 2.407 122.618 120.200 0.018 0.000 3.259 292 E HA -0.034 4.333 4.350 0.029 0.000 0.307 292 E C -0.226 176.384 176.600 0.015 0.000 1.375 292 E CA -0.149 56.265 56.400 0.023 0.000 1.472 292 E CB 0.083 29.794 29.700 0.019 0.000 1.174 292 E HN 0.597 nan 8.360 nan 0.000 0.473 293 S N -0.444 115.264 115.700 0.013 0.000 2.666 293 S HA 0.286 4.774 4.470 0.029 0.000 0.279 293 S C 1.233 175.863 174.600 0.049 0.000 1.149 293 S CA -0.754 57.444 58.200 -0.002 0.000 1.020 293 S CB 0.795 63.972 63.200 -0.039 0.000 1.127 293 S HN 0.311 nan 8.310 nan 0.000 0.537 294 I N -1.292 119.324 120.570 0.078 0.000 2.556 294 I HA 0.126 4.313 4.170 0.029 0.000 0.251 294 I C 0.301 176.637 176.117 0.364 0.000 1.105 294 I CA 0.609 62.054 61.300 0.241 0.000 1.436 294 I CB -0.199 38.000 38.000 0.332 0.000 1.139 294 I HN 0.388 nan 8.210 nan 0.000 0.438 295 F N 3.417 123.240 119.950 -0.212 0.000 2.833 295 F HA 0.195 4.739 4.527 0.028 0.000 0.327 295 F C 1.524 176.969 175.800 -0.593 0.000 1.184 295 F CA -0.807 56.877 58.000 -0.527 0.000 1.328 295 F CB -1.077 37.563 39.000 -0.600 0.000 1.440 295 F HN 0.136 nan 8.300 nan 0.000 0.569 296 R N 0.120 120.608 120.500 -0.020 0.000 2.346 296 R HA 0.077 4.435 4.340 0.029 0.000 0.225 296 R C -0.108 176.228 176.300 0.061 0.000 0.987 296 R CA -0.127 55.989 56.100 0.026 0.000 1.106 296 R CB -1.113 29.272 30.300 0.141 0.000 1.090 296 R HN 0.247 nan 8.270 nan 0.000 0.502 297 F N -0.226 119.807 119.950 0.138 0.000 2.495 297 F HA 0.301 4.845 4.527 0.028 0.000 0.365 297 F C 0.736 176.429 175.800 -0.177 0.000 1.090 297 F CA -0.794 57.080 58.000 -0.211 0.000 1.235 297 F CB 0.925 39.820 39.000 -0.175 0.000 1.119 297 F HN -0.187 nan 8.300 nan 0.000 0.562 298 S N 1.768 117.365 115.700 -0.172 0.000 2.497 298 S HA 0.226 4.713 4.470 0.029 0.000 0.218 298 S C -0.258 173.926 174.600 -0.693 0.000 1.023 298 S CA -0.061 57.829 58.200 -0.518 0.000 0.913 298 S CB -0.109 62.606 63.200 -0.809 0.000 0.800 298 S HN 0.499 nan 8.310 nan 0.000 0.505 299 F N 2.920 122.922 119.950 0.086 0.000 2.366 299 F HA 0.600 5.145 4.527 0.029 0.000 0.366 299 F C -0.012 175.855 175.800 0.112 0.000 1.096 299 F CA -1.109 56.959 58.000 0.113 0.000 1.060 299 F CB 1.293 40.373 39.000 0.133 0.000 1.282 299 F HN -0.078 nan 8.300 nan 0.000 0.450 300 V N 0.495 120.439 119.914 0.051 0.000 3.158 300 V HA 0.777 4.914 4.120 0.029 0.000 0.311 300 V C -2.902 172.873 176.094 -0.532 0.000 1.181 300 V CA -3.357 58.706 62.300 -0.394 0.000 1.054 300 V CB 2.083 33.821 31.823 -0.142 0.000 1.085 300 V HN 0.210 nan 8.190 nan 0.000 0.446 301 P HA 0.199 nan 4.420 nan 0.000 0.266 301 P C -0.795 176.355 177.300 -0.250 0.000 1.193 301 P CA 0.314 63.106 63.100 -0.513 0.000 0.770 301 P CB 0.678 31.970 31.700 -0.679 0.000 0.836 302 V N 4.679 124.527 119.914 -0.109 0.000 2.513 302 V HA 0.214 4.351 4.120 0.029 0.000 0.299 302 V C -0.404 175.665 176.094 -0.041 0.000 1.035 302 V CA -0.927 61.336 62.300 -0.062 0.000 0.889 302 V CB 2.025 33.841 31.823 -0.011 0.000 0.988 302 V HN 0.145 nan 8.190 nan 0.000 0.440 303 V N 7.312 127.201 119.914 -0.040 0.000 2.403 303 V HA 0.182 4.319 4.120 0.029 0.000 0.265 303 V C 0.741 176.837 176.094 0.003 0.000 1.034 303 V CA 0.479 62.771 62.300 -0.015 0.000 1.036 303 V CB 0.479 32.286 31.823 -0.026 0.000 1.032 303 V HN 1.057 nan 8.190 nan 0.000 0.478 304 D N 2.852 123.269 120.400 0.029 0.000 2.469 304 D HA 0.150 4.807 4.640 0.029 0.000 0.213 304 D C 1.469 177.791 176.300 0.037 0.000 1.135 304 D CA 0.504 54.526 54.000 0.035 0.000 0.834 304 D CB 0.534 41.367 40.800 0.055 0.000 1.009 304 D HN 0.706 nan 8.370 nan 0.000 0.507 305 G N 0.815 109.636 108.800 0.034 0.000 2.205 305 G HA2 -0.367 3.610 3.960 0.029 0.000 0.269 305 G HA3 -0.367 3.610 3.960 0.029 0.000 0.269 305 G C 0.524 175.445 174.900 0.035 0.000 0.977 305 G CA 1.060 46.176 45.100 0.026 0.000 0.652 305 G HN 0.530 nan 8.290 nan 0.000 0.539 306 D N -1.346 119.092 120.400 0.063 0.000 2.949 306 D HA 0.237 4.894 4.640 0.029 0.000 0.247 306 D C 1.854 178.212 176.300 0.096 0.000 1.552 306 D CA 0.311 54.356 54.000 0.075 0.000 1.231 306 D CB -0.476 40.382 40.800 0.097 0.000 0.990 306 D HN 0.093 nan 8.370 nan 0.000 0.270 307 F N 1.126 121.078 119.950 0.003 0.000 2.102 307 F HA 0.133 4.677 4.527 0.028 0.000 0.298 307 F C 0.770 176.562 175.800 -0.013 0.000 1.105 307 F CA 1.142 59.142 58.000 -0.001 0.000 1.239 307 F CB 0.102 39.099 39.000 -0.005 0.000 0.991 307 F HN -0.031 nan 8.300 nan 0.000 0.474 308 L N 1.113 122.502 121.223 0.276 0.000 2.272 308 L HA 0.166 4.523 4.340 0.029 0.000 0.284 308 L C 1.477 178.385 176.870 0.063 0.000 1.045 308 L CA -0.170 54.755 54.840 0.142 0.000 0.842 308 L CB 1.057 43.189 42.059 0.123 0.000 1.224 308 L HN 0.143 nan 8.230 nan 0.000 0.430 309 S N 0.712 116.427 115.700 0.025 0.000 2.500 309 S HA -0.075 4.412 4.470 0.029 0.000 0.239 309 S C 0.432 175.038 174.600 0.009 0.000 0.989 309 S CA 0.693 58.899 58.200 0.010 0.000 0.951 309 S CB -0.028 63.167 63.200 -0.009 0.000 0.759 309 S HN 0.749 nan 8.310 nan 0.000 0.523 310 D N -0.286 120.120 120.400 0.011 0.000 2.783 310 D HA 0.186 4.843 4.640 0.029 0.000 0.253 310 D C -0.912 175.389 176.300 0.002 0.000 1.206 310 D CA 0.192 54.194 54.000 0.004 0.000 0.740 310 D CB 1.039 41.839 40.800 0.000 0.000 1.313 310 D HN 0.215 nan 8.370 nan 0.000 0.427 311 T N 0.351 114.899 114.554 -0.009 0.000 2.939 311 T HA 0.119 4.487 4.350 0.029 0.000 0.312 311 T C -1.724 172.968 174.700 -0.014 0.000 1.064 311 T CA -0.421 61.666 62.100 -0.021 0.000 1.136 311 T CB 0.628 69.479 68.868 -0.029 0.000 1.035 311 T HN 0.166 nan 8.240 nan 0.000 0.538 312 P HA -0.101 nan 4.420 nan 0.000 0.216 312 P C 1.412 178.712 177.300 -0.001 0.000 1.153 312 P CA 1.200 64.290 63.100 -0.016 0.000 0.858 312 P CB 0.053 31.717 31.700 -0.059 0.000 0.789 313 E N -0.087 120.102 120.200 -0.018 0.000 2.033 313 E HA -0.221 4.146 4.350 0.029 0.000 0.199 313 E C 2.198 178.808 176.600 0.017 0.000 1.011 313 E CA 1.830 58.228 56.400 -0.003 0.000 0.815 313 E CB -1.273 28.419 29.700 -0.014 0.000 0.755 313 E HN 0.116 nan 8.360 nan 0.000 0.451 314 A N 0.855 123.681 122.820 0.009 0.000 1.884 314 A HA -0.252 4.085 4.320 0.029 0.000 0.219 314 A C 2.292 179.894 177.584 0.030 0.000 1.197 314 A CA 1.770 53.815 52.037 0.014 0.000 0.637 314 A CB -0.949 18.053 19.000 0.004 0.000 0.827 314 A HN 0.218 nan 8.150 nan 0.000 0.450 315 L N -0.197 121.049 121.223 0.039 0.000 2.056 315 L HA -0.159 4.199 4.340 0.029 0.000 0.207 315 L C 2.641 179.597 176.870 0.144 0.000 1.078 315 L CA 1.642 56.522 54.840 0.066 0.000 0.749 315 L CB -0.604 41.496 42.059 0.067 0.000 0.901 315 L HN 0.705 nan 8.230 nan 0.000 0.433 316 I N -3.021 117.645 120.570 0.160 0.000 2.493 316 I HA -0.183 4.005 4.170 0.029 0.000 0.254 316 I C 1.895 178.154 176.117 0.237 0.000 1.160 316 I CA 1.333 62.789 61.300 0.260 0.000 1.445 316 I CB -0.497 37.573 38.000 0.117 0.000 1.086 316 I HN 0.197 nan 8.210 nan 0.000 0.433 317 N N 1.354 120.127 118.700 0.122 0.000 2.331 317 N HA -0.095 4.662 4.740 0.029 0.000 0.180 317 N C 1.733 177.276 175.510 0.055 0.000 1.019 317 N CA 2.030 55.131 53.050 0.084 0.000 0.881 317 N CB -0.175 38.342 38.487 0.049 0.000 0.972 317 N HN 0.692 nan 8.380 nan 0.000 0.435 318 T N -4.103 110.466 114.554 0.025 0.000 3.040 318 T HA 0.357 4.724 4.350 0.029 0.000 0.266 318 T C 0.873 175.502 174.700 -0.117 0.000 1.005 318 T CA -0.416 61.666 62.100 -0.031 0.000 0.906 318 T CB 0.157 69.007 68.868 -0.029 0.000 1.082 318 T HN 0.029 nan 8.240 nan 0.000 0.531 319 G N 0.774 109.457 108.800 -0.195 0.000 2.599 319 G HA2 0.452 4.429 3.960 0.029 0.000 0.264 319 G HA3 0.452 4.429 3.960 0.029 0.000 0.264 319 G C -1.231 173.199 174.900 -0.782 0.000 1.200 319 G CA -0.507 44.258 45.100 -0.557 0.000 0.896 319 G HN 0.366 nan 8.290 nan 0.000 0.536 320 D N -0.648 119.259 120.400 -0.820 0.000 2.414 320 D HA 0.418 5.075 4.640 0.029 0.000 0.232 320 D C -0.523 175.446 176.300 -0.552 0.000 1.070 320 D CA -0.646 53.022 54.000 -0.554 0.000 0.839 320 D CB 0.564 41.203 40.800 -0.268 0.000 1.079 320 D HN 0.086 nan 8.370 nan 0.000 0.521 321 F N 2.409 122.359 119.950 0.000 0.000 2.837 321 F HA 0.202 4.746 4.527 0.029 0.000 0.298 321 F C 1.937 177.738 175.800 0.002 0.000 1.161 321 F CA -0.512 57.490 58.000 0.004 0.000 1.353 321 F CB 0.290 39.302 39.000 0.020 0.000 0.951 321 F HN 0.342 nan 8.300 nan 0.000 0.508 322 Q N 0.534 120.384 119.800 0.084 0.000 2.062 322 Q HA -0.190 4.167 4.340 0.029 0.000 0.209 322 Q C 0.561 176.595 176.000 0.058 0.000 0.996 322 Q CA 1.607 57.442 55.803 0.053 0.000 0.859 322 Q CB -0.200 28.543 28.738 0.009 0.000 0.920 322 Q HN 0.397 nan 8.270 nan 0.000 0.415 323 D N 0.081 120.509 120.400 0.048 0.000 2.722 323 D HA 0.186 4.843 4.640 0.029 0.000 0.239 323 D C -0.490 175.836 176.300 0.044 0.000 1.249 323 D CA -0.071 53.949 54.000 0.033 0.000 0.830 323 D CB -0.031 40.774 40.800 0.007 0.000 1.025 323 D HN -0.000 nan 8.370 nan 0.000 0.486 324 L N 1.110 122.381 121.223 0.080 0.000 2.356 324 L HA 0.331 4.688 4.340 0.029 0.000 0.277 324 L C -1.063 175.871 176.870 0.107 0.000 0.996 324 L CA -0.517 54.379 54.840 0.093 0.000 0.822 324 L CB 1.965 44.106 42.059 0.137 0.000 1.256 324 L HN -0.231 nan 8.230 nan 0.000 0.413 325 Q N 3.503 123.379 119.800 0.126 0.000 2.312 325 Q HA 0.797 5.154 4.340 0.029 0.000 0.263 325 Q C -1.347 174.889 176.000 0.392 0.000 0.995 325 Q CA -0.485 55.451 55.803 0.222 0.000 0.853 325 Q CB 2.608 31.448 28.738 0.170 0.000 1.300 325 Q HN 0.453 nan 8.270 nan 0.000 0.448 326 V N 2.527 122.660 119.914 0.364 0.000 2.686 326 V HA 0.448 4.585 4.120 0.029 0.000 0.306 326 V C -1.477 174.570 176.094 -0.077 0.000 1.065 326 V CA -0.858 61.574 62.300 0.220 0.000 0.894 326 V CB 2.015 33.869 31.823 0.052 0.000 1.004 326 V HN 0.643 nan 8.190 nan 0.000 0.424 327 L N 7.134 128.065 121.223 -0.488 0.000 2.287 327 L HA 0.877 5.234 4.340 0.029 0.000 0.287 327 L C -0.419 176.268 176.870 -0.305 0.000 1.022 327 L CA -0.057 54.385 54.840 -0.664 0.000 0.814 327 L CB 1.536 42.730 42.059 -1.442 0.000 1.217 327 L HN 0.611 nan 8.230 nan 0.000 0.420 328 V N 2.149 121.939 119.914 -0.208 0.000 2.914 328 V HA 1.126 5.263 4.120 0.029 0.000 0.314 328 V C -0.122 175.671 176.094 -0.501 0.000 1.084 328 V CA 0.163 62.328 62.300 -0.224 0.000 0.963 328 V CB 1.200 32.898 31.823 -0.207 0.000 1.025 328 V HN 1.022 nan 8.190 nan 0.000 0.432 329 G N 0.874 109.253 108.800 -0.702 0.000 2.550 329 G HA2 0.782 4.760 3.960 0.029 0.000 0.293 329 G HA3 0.782 4.760 3.960 0.029 0.000 0.293 329 G C -1.160 173.442 174.900 -0.495 0.000 1.402 329 G CA 0.012 44.314 45.100 -1.329 0.000 0.784 329 G HN 1.968 nan 8.290 nan 0.000 0.482 330 V N -2.411 117.381 119.914 -0.204 0.000 3.158 330 V HA 0.933 5.070 4.120 0.029 0.000 0.311 330 V C 0.340 176.646 176.094 0.353 0.000 1.181 330 V CA -0.474 61.898 62.300 0.120 0.000 1.054 330 V CB 1.086 32.944 31.823 0.058 0.000 1.085 330 V HN 1.731 nan 8.190 nan 0.000 0.446 331 V N -1.203 118.906 119.914 0.325 0.000 3.093 331 V HA 0.592 4.729 4.120 0.029 0.000 0.320 331 V C 1.288 177.549 176.094 0.278 0.000 1.093 331 V CA -0.110 62.424 62.300 0.389 0.000 1.016 331 V CB 1.374 33.413 31.823 0.360 0.000 1.096 331 V HN 1.041 nan 8.190 nan 0.000 0.452 332 K N -0.423 120.136 120.400 0.265 0.000 2.148 332 K HA -0.033 4.304 4.320 0.029 0.000 0.204 332 K C 0.342 177.037 176.600 0.158 0.000 1.050 332 K CA 1.776 58.172 56.287 0.182 0.000 0.942 332 K CB 0.098 32.682 32.500 0.140 0.000 0.724 332 K HN 0.892 nan 8.250 nan 0.000 0.446 333 D N 1.012 121.507 120.400 0.159 0.000 2.749 333 D HA 0.029 4.686 4.640 0.029 0.000 0.338 333 D C -0.010 176.366 176.300 0.125 0.000 1.236 333 D CA -0.056 54.022 54.000 0.131 0.000 0.845 333 D CB 1.217 42.075 40.800 0.095 0.000 1.080 333 D HN 0.143 nan 8.370 nan 0.000 0.497 334 E N 0.296 120.587 120.200 0.152 0.000 2.209 334 E HA -0.122 4.245 4.350 0.029 0.000 0.196 334 E C 1.839 178.529 176.600 0.151 0.000 0.993 334 E CA 0.665 57.162 56.400 0.162 0.000 0.819 334 E CB 0.246 30.050 29.700 0.173 0.000 0.745 334 E HN 0.413 nan 8.360 nan 0.000 0.477 335 G N 0.784 109.680 108.800 0.160 0.000 2.796 335 G HA2 -0.116 3.861 3.960 0.029 0.000 0.210 335 G HA3 -0.116 3.861 3.960 0.029 0.000 0.210 335 G C 1.684 176.684 174.900 0.167 0.000 1.146 335 G CA 0.617 45.850 45.100 0.222 0.000 0.779 335 G HN 0.339 nan 8.290 nan 0.000 0.535 336 S N 0.370 116.118 115.700 0.080 0.000 2.359 336 S HA -0.253 4.234 4.470 0.029 0.000 0.224 336 S C 2.123 176.676 174.600 -0.078 0.000 1.035 336 S CA 1.372 59.590 58.200 0.030 0.000 1.018 336 S CB -0.844 62.278 63.200 -0.130 0.000 0.876 336 S HN 0.361 nan 8.310 nan 0.000 0.448 337 Y N 1.954 122.012 120.300 -0.403 0.000 2.139 337 Y HA -0.208 4.358 4.550 0.028 0.000 0.282 337 Y C 1.833 177.568 175.900 -0.275 0.000 1.179 337 Y CA 1.811 59.565 58.100 -0.577 0.000 1.161 337 Y CB -0.677 37.281 38.460 -0.837 0.000 0.970 337 Y HN 0.332 nan 8.280 nan 0.000 0.511 338 F N -1.171 118.857 119.950 0.130 0.000 2.456 338 F HA -0.088 4.456 4.527 0.028 0.000 0.298 338 F C 1.995 177.882 175.800 0.145 0.000 1.104 338 F CA 0.312 58.392 58.000 0.134 0.000 1.435 338 F CB -0.269 38.840 39.000 0.182 0.000 1.078 338 F HN -0.002 nan 8.300 nan 0.000 0.546 339 L N 0.013 121.367 121.223 0.217 0.000 2.046 339 L HA -0.181 4.177 4.340 0.029 0.000 0.208 339 L C 2.474 179.446 176.870 0.170 0.000 1.077 339 L CA 1.121 55.967 54.840 0.010 0.000 0.747 339 L CB -0.828 41.022 42.059 -0.349 0.000 0.896 339 L HN 0.161 nan 8.230 nan 0.000 0.432 340 V N -4.657 115.427 119.914 0.284 0.000 3.305 340 V HA -0.194 3.943 4.120 0.029 0.000 0.269 340 V C 1.831 177.964 176.094 0.066 0.000 1.157 340 V CA 1.064 63.524 62.300 0.268 0.000 1.157 340 V CB -1.102 30.912 31.823 0.317 0.000 0.772 340 V HN 0.308 nan 8.190 nan 0.000 0.498 341 Y N 1.634 121.999 120.300 0.109 0.000 2.389 341 Y HA 0.474 5.040 4.550 0.028 0.000 0.292 341 Y C 2.491 178.417 175.900 0.043 0.000 1.117 341 Y CA 1.321 59.458 58.100 0.061 0.000 1.195 341 Y CB 0.048 38.545 38.460 0.061 0.000 1.076 341 Y HN 0.347 nan 8.280 nan 0.000 0.548 342 G N -0.985 107.938 108.800 0.205 0.000 2.907 342 G HA2 0.095 4.072 3.960 0.029 0.000 0.200 342 G HA3 0.095 4.072 3.960 0.029 0.000 0.200 342 G C -0.184 174.781 174.900 0.109 0.000 1.101 342 G CA 0.027 45.201 45.100 0.125 0.000 0.806 342 G HN -0.070 nan 8.290 nan 0.000 0.640 343 V N 3.432 123.415 119.914 0.115 0.000 2.509 343 V HA 0.182 4.319 4.120 0.029 0.000 0.297 343 V C -2.017 174.229 176.094 0.253 0.000 1.014 343 V CA -1.257 61.129 62.300 0.144 0.000 1.127 343 V CB 0.402 32.255 31.823 0.050 0.000 0.925 343 V HN 0.120 nan 8.190 nan 0.000 0.480 344 P HA 0.265 nan 4.420 nan 0.000 0.266 344 P C 1.055 178.474 177.300 0.199 0.000 1.195 344 P CA 1.361 64.554 63.100 0.156 0.000 0.768 344 P CB 0.674 32.430 31.700 0.092 0.000 0.838 345 G N 0.710 109.559 108.800 0.081 0.000 2.194 345 G HA2 -0.218 3.759 3.960 0.029 0.000 0.236 345 G HA3 -0.218 3.759 3.960 0.029 0.000 0.236 345 G C -0.228 174.498 174.900 -0.289 0.000 0.987 345 G CA -0.561 44.469 45.100 -0.117 0.000 0.635 345 G HN 0.400 nan 8.290 nan 0.000 0.520 346 F N 1.560 121.511 119.950 0.001 0.000 2.458 346 F HA 0.765 5.308 4.527 0.028 0.000 0.336 346 F C 0.498 176.376 175.800 0.129 0.000 1.114 346 F CA -0.164 57.846 58.000 0.017 0.000 0.987 346 F CB 2.325 41.389 39.000 0.107 0.000 1.130 346 F HN 0.241 nan 8.300 nan 0.000 0.458 347 S N 2.036 117.930 115.700 0.323 0.000 2.579 347 S HA 0.340 4.827 4.470 0.029 0.000 0.272 347 S C 0.239 175.129 174.600 0.484 0.000 1.141 347 S CA -0.859 57.560 58.200 0.365 0.000 0.843 347 S CB 1.553 64.879 63.200 0.210 0.000 1.122 347 S HN 0.731 nan 8.310 nan 0.000 0.468 348 K N 1.079 121.681 120.400 0.337 0.000 2.439 348 K HA 0.139 4.477 4.320 0.029 0.000 0.197 348 K C 0.350 176.990 176.600 0.067 0.000 1.041 348 K CA 1.291 57.682 56.287 0.174 0.000 0.970 348 K CB -0.044 32.292 32.500 -0.273 0.000 0.773 348 K HN 0.476 nan 8.250 nan 0.000 0.479 349 D N 0.421 120.860 120.400 0.066 0.000 2.355 349 D HA -0.007 4.650 4.640 0.029 0.000 0.206 349 D C -0.035 176.295 176.300 0.051 0.000 1.010 349 D CA 0.417 54.422 54.000 0.007 0.000 0.875 349 D CB 0.081 40.878 40.800 -0.005 0.000 0.966 349 D HN 0.473 nan 8.370 nan 0.000 0.512 350 N N -0.452 118.297 118.700 0.082 0.000 2.989 350 N HA 0.161 4.918 4.740 0.029 0.000 0.338 350 N C 0.347 175.881 175.510 0.041 0.000 1.369 350 N CA -0.571 52.500 53.050 0.035 0.000 0.794 350 N CB 0.574 39.041 38.487 -0.033 0.000 1.359 350 N HN -0.307 nan 8.380 nan 0.000 0.609 351 E N -0.892 119.260 120.200 -0.080 0.000 2.489 351 E HA 0.083 4.450 4.350 0.029 0.000 0.193 351 E C -0.469 175.761 176.600 -0.615 0.000 1.057 351 E CA 0.030 56.313 56.400 -0.195 0.000 0.866 351 E CB -0.165 29.491 29.700 -0.074 0.000 0.916 351 E HN 0.569 nan 8.360 nan 0.000 0.500 352 S N 0.062 115.422 115.700 -0.567 0.000 3.473 352 S HA -0.214 4.273 4.470 0.029 0.000 0.339 352 S C 0.343 174.502 174.600 -0.735 0.000 1.148 352 S CA 0.231 57.961 58.200 -0.784 0.000 0.969 352 S CB -2.054 60.409 63.200 -1.229 0.000 0.936 352 S HN 0.326 nan 8.310 nan 0.000 0.530 353 L N 1.813 122.765 121.223 -0.451 0.000 2.698 353 L HA 0.194 4.551 4.340 0.029 0.000 0.272 353 L C 0.825 177.506 176.870 -0.315 0.000 1.154 353 L CA 0.242 54.894 54.840 -0.314 0.000 0.964 353 L CB -0.447 41.496 42.059 -0.193 0.000 1.272 353 L HN 0.421 nan 8.230 nan 0.000 0.483 354 I N 0.285 120.657 120.570 -0.330 0.000 2.664 354 I HA 0.553 4.740 4.170 0.029 0.000 0.308 354 I C 0.751 176.793 176.117 -0.124 0.000 0.984 354 I CA -0.614 60.527 61.300 -0.266 0.000 1.213 354 I CB 1.588 39.403 38.000 -0.310 0.000 1.379 354 I HN 0.548 nan 8.210 nan 0.000 0.501 355 S N 3.272 118.927 115.700 -0.076 0.000 2.603 355 S HA 0.271 4.758 4.470 0.029 0.000 0.268 355 S C 1.071 175.691 174.600 0.033 0.000 1.317 355 S CA -0.326 57.858 58.200 -0.027 0.000 1.012 355 S CB 1.345 64.535 63.200 -0.016 0.000 0.926 355 S HN 0.895 nan 8.310 nan 0.000 0.539 356 R N 1.582 122.103 120.500 0.035 0.000 2.083 356 R HA -0.128 4.229 4.340 0.029 0.000 0.237 356 R C 2.435 178.826 176.300 0.151 0.000 1.137 356 R CA 1.886 58.044 56.100 0.097 0.000 0.951 356 R CB -1.232 29.099 30.300 0.053 0.000 0.851 356 R HN 0.872 nan 8.270 nan 0.000 0.434 357 A N 0.593 123.467 122.820 0.090 0.000 1.917 357 A HA -0.272 4.066 4.320 0.029 0.000 0.219 357 A C 2.103 179.741 177.584 0.089 0.000 1.182 357 A CA 1.831 53.916 52.037 0.079 0.000 0.633 357 A CB -0.663 18.366 19.000 0.048 0.000 0.819 357 A HN 0.580 nan 8.150 nan 0.000 0.448 358 Q N -1.924 117.931 119.800 0.091 0.000 2.096 358 Q HA -0.206 4.151 4.340 0.029 0.000 0.204 358 Q C 1.924 178.032 176.000 0.179 0.000 0.982 358 Q CA 1.789 57.656 55.803 0.105 0.000 0.850 358 Q CB -0.323 28.450 28.738 0.059 0.000 0.901 358 Q HN 0.820 nan 8.270 nan 0.000 0.422 359 F N 0.830 120.820 119.950 0.066 0.000 2.186 359 F HA -0.147 4.401 4.527 0.035 0.000 0.299 359 F C 1.663 177.507 175.800 0.073 0.000 1.090 359 F CA 0.937 58.991 58.000 0.090 0.000 1.307 359 F CB 0.139 39.176 39.000 0.062 0.000 1.019 359 F HN -0.042 nan 8.300 nan 0.000 0.489 360 L N -0.120 121.082 121.223 -0.035 0.000 2.156 360 L HA -0.066 4.291 4.340 0.029 0.000 0.208 360 L C 2.786 179.585 176.870 -0.118 0.000 1.095 360 L CA 0.944 55.700 54.840 -0.140 0.000 0.770 360 L CB -1.453 40.612 42.059 0.010 0.000 0.914 360 L HN 0.223 nan 8.230 nan 0.000 0.439 361 A N 0.909 123.706 122.820 -0.039 0.000 1.930 361 A HA -0.052 4.286 4.320 0.029 0.000 0.217 361 A C 2.439 180.001 177.584 -0.036 0.000 1.175 361 A CA 1.495 53.521 52.037 -0.019 0.000 0.627 361 A CB -1.115 17.898 19.000 0.021 0.000 0.815 361 A HN 0.405 nan 8.150 nan 0.000 0.443 362 G N -0.337 108.443 108.800 -0.034 0.000 2.440 362 G HA2 -0.179 3.798 3.960 0.029 0.000 0.218 362 G HA3 -0.179 3.798 3.960 0.029 0.000 0.218 362 G C 1.509 176.329 174.900 -0.134 0.000 1.154 362 G CA 1.357 46.436 45.100 -0.034 0.000 0.767 362 G HN 0.321 nan 8.290 nan 0.000 0.552 363 V N 1.036 120.792 119.914 -0.263 0.000 2.343 363 V HA -0.114 4.023 4.120 0.029 0.000 0.247 363 V C 2.854 178.873 176.094 -0.125 0.000 1.051 363 V CA 1.600 63.757 62.300 -0.239 0.000 1.036 363 V CB -0.372 31.244 31.823 -0.345 0.000 0.654 363 V HN 0.244 nan 8.190 nan 0.000 0.451 364 R N -0.476 119.965 120.500 -0.099 0.000 2.285 364 R HA 0.073 4.430 4.340 0.029 0.000 0.213 364 R C 1.837 178.104 176.300 -0.054 0.000 1.068 364 R CA 1.041 57.105 56.100 -0.060 0.000 1.004 364 R CB -0.591 29.685 30.300 -0.041 0.000 0.873 364 R HN 0.492 nan 8.270 nan 0.000 0.467 365 I N -1.069 119.465 120.570 -0.060 0.000 2.685 365 I HA 0.011 4.198 4.170 0.029 0.000 0.251 365 I C 2.294 178.361 176.117 -0.083 0.000 1.102 365 I CA 0.888 62.158 61.300 -0.050 0.000 1.442 365 I CB -0.409 37.577 38.000 -0.023 0.000 1.194 365 I HN 0.130 nan 8.210 nan 0.000 0.448 366 G N 0.670 109.408 108.800 -0.103 0.000 2.432 366 G HA2 -0.096 3.881 3.960 0.029 0.000 0.219 366 G HA3 -0.096 3.881 3.960 0.029 0.000 0.219 366 G C 0.798 175.612 174.900 -0.143 0.000 1.135 366 G CA 0.545 45.556 45.100 -0.148 0.000 0.767 366 G HN 0.218 nan 8.290 nan 0.000 0.550 367 V N 2.132 121.980 119.914 -0.109 0.000 2.225 367 V HA 0.230 4.367 4.120 0.029 0.000 0.264 367 V C -1.488 174.559 176.094 -0.079 0.000 1.067 367 V CA -1.167 61.060 62.300 -0.122 0.000 0.903 367 V CB 1.599 33.353 31.823 -0.113 0.000 1.136 367 V HN 0.103 nan 8.190 nan 0.000 0.456 368 P HA -0.056 nan 4.420 nan 0.000 0.229 368 P C 1.159 178.436 177.300 -0.039 0.000 1.160 368 P CA 0.675 63.744 63.100 -0.052 0.000 0.777 368 P CB 0.613 32.279 31.700 -0.056 0.000 0.814 369 Q N 0.712 120.494 119.800 -0.030 0.000 2.170 369 Q HA 0.014 4.371 4.340 0.029 0.000 0.203 369 Q C 1.218 177.198 176.000 -0.033 0.000 0.976 369 Q CA 0.905 56.695 55.803 -0.022 0.000 0.858 369 Q CB -1.140 27.600 28.738 0.003 0.000 0.907 369 Q HN 0.209 nan 8.270 nan 0.000 0.433 370 A N 1.250 124.046 122.820 -0.040 0.000 2.524 370 A HA 0.301 4.638 4.320 0.029 0.000 0.250 370 A C 0.425 177.990 177.584 -0.032 0.000 1.078 370 A CA 0.063 52.077 52.037 -0.039 0.000 0.761 370 A CB -0.018 18.962 19.000 -0.033 0.000 1.012 370 A HN 0.349 nan 8.150 nan 0.000 0.500 371 S N 1.958 117.637 115.700 -0.034 0.000 2.634 371 S HA 0.165 4.652 4.470 0.029 0.000 0.261 371 S C 0.540 175.131 174.600 -0.014 0.000 1.271 371 S CA 0.366 58.550 58.200 -0.026 0.000 0.985 371 S CB 0.428 63.608 63.200 -0.033 0.000 0.968 371 S HN 0.639 nan 8.310 nan 0.000 0.568 372 D N 0.189 120.585 120.400 -0.006 0.000 2.133 372 D HA -0.131 4.526 4.640 0.029 0.000 0.192 372 D C 1.721 178.032 176.300 0.018 0.000 1.001 372 D CA 1.466 55.470 54.000 0.006 0.000 0.844 372 D CB -0.284 40.521 40.800 0.009 0.000 0.944 372 D HN 0.373 nan 8.370 nan 0.000 0.447 373 L N 0.467 121.699 121.223 0.014 0.000 2.027 373 L HA 0.009 4.366 4.340 0.029 0.000 0.206 373 L C 2.055 178.949 176.870 0.040 0.000 1.074 373 L CA 1.698 56.556 54.840 0.029 0.000 0.745 373 L CB -0.975 41.092 42.059 0.013 0.000 0.898 373 L HN 0.038 nan 8.230 nan 0.000 0.433 374 A N -0.769 122.051 122.820 0.001 0.000 1.972 374 A HA -0.082 4.255 4.320 0.029 0.000 0.219 374 A C 2.422 180.034 177.584 0.046 0.000 1.169 374 A CA 1.673 53.706 52.037 -0.007 0.000 0.635 374 A CB -0.984 17.973 19.000 -0.072 0.000 0.810 374 A HN 0.541 nan 8.150 nan 0.000 0.446 375 A N -0.353 122.488 122.820 0.034 0.000 1.873 375 A HA -0.118 4.219 4.320 0.029 0.000 0.215 375 A C 1.945 179.579 177.584 0.083 0.000 1.186 375 A CA 2.026 54.087 52.037 0.040 0.000 0.616 375 A CB -0.508 18.498 19.000 0.009 0.000 0.823 375 A HN 0.476 nan 8.150 nan 0.000 0.442 376 E N 0.281 120.535 120.200 0.091 0.000 2.049 376 E HA -0.167 4.200 4.350 0.029 0.000 0.198 376 E C 2.112 178.822 176.600 0.182 0.000 1.007 376 E CA 1.817 58.293 56.400 0.127 0.000 0.809 376 E CB -0.544 29.223 29.700 0.110 0.000 0.749 376 E HN 0.493 nan 8.360 nan 0.000 0.450 377 A N -0.136 122.809 122.820 0.208 0.000 1.883 377 A HA -0.196 4.141 4.320 0.029 0.000 0.217 377 A C 2.560 180.317 177.584 0.287 0.000 1.186 377 A CA 1.922 54.142 52.037 0.305 0.000 0.624 377 A CB -0.924 18.341 19.000 0.442 0.000 0.822 377 A HN 0.201 nan 8.150 nan 0.000 0.444 378 V N -0.487 119.613 119.914 0.310 0.000 2.261 378 V HA -0.239 3.899 4.120 0.029 0.000 0.246 378 V C 2.595 178.894 176.094 0.340 0.000 1.047 378 V CA 1.996 64.484 62.300 0.313 0.000 1.015 378 V CB -0.830 31.154 31.823 0.268 0.000 0.642 378 V HN 0.375 nan 8.190 nan 0.000 0.446 379 V N -0.319 119.743 119.914 0.247 0.000 2.282 379 V HA -0.278 3.859 4.120 0.029 0.000 0.249 379 V C 2.427 178.731 176.094 0.351 0.000 1.057 379 V CA 1.798 64.283 62.300 0.308 0.000 1.032 379 V CB -0.580 31.366 31.823 0.206 0.000 0.645 379 V HN 0.397 nan 8.190 nan 0.000 0.447 380 L N -0.322 121.099 121.223 0.330 0.000 2.012 380 L HA -0.256 4.101 4.340 0.029 0.000 0.210 380 L C 2.509 179.569 176.870 0.317 0.000 1.073 380 L CA 2.777 57.872 54.840 0.424 0.000 0.748 380 L CB -1.336 40.905 42.059 0.303 0.000 0.891 380 L HN 0.550 nan 8.230 nan 0.000 0.431 381 H N -1.336 117.714 119.070 -0.034 0.000 2.387 381 H HA -0.198 4.377 4.556 0.032 0.000 0.299 381 H C 1.747 176.918 175.328 -0.260 0.000 1.090 381 H CA 1.921 57.767 56.048 -0.337 0.000 1.332 381 H CB -0.030 29.125 29.762 -1.011 0.000 1.386 381 H HN 0.289 nan 8.280 nan 0.000 0.516 382 Y N -0.389 119.921 120.300 0.017 0.000 2.462 382 Y HA 0.167 4.733 4.550 0.027 0.000 0.261 382 Y C 0.703 176.533 175.900 -0.117 0.000 1.146 382 Y CA 0.130 58.252 58.100 0.036 0.000 1.283 382 Y CB 0.510 39.159 38.460 0.314 0.000 1.090 382 Y HN 0.029 nan 8.280 nan 0.000 0.526 383 T N 1.590 116.067 114.554 -0.129 0.000 2.870 383 T HA -0.066 4.301 4.350 0.029 0.000 0.300 383 T C -0.169 174.165 174.700 -0.610 0.000 0.989 383 T CA -0.208 61.551 62.100 -0.568 0.000 1.139 383 T CB 0.268 68.430 68.868 -1.176 0.000 0.920 383 T HN 0.089 nan 8.240 nan 0.000 0.537 384 D N 2.489 122.640 120.400 -0.415 0.000 2.422 384 D HA 0.055 4.712 4.640 0.029 0.000 0.227 384 D C 0.133 176.262 176.300 -0.285 0.000 1.190 384 D CA -0.509 53.365 54.000 -0.210 0.000 0.905 384 D CB 0.310 41.166 40.800 0.092 0.000 1.034 384 D HN 0.634 nan 8.370 nan 0.000 0.507 385 W N 3.081 124.337 121.300 -0.073 0.000 2.848 385 W HA -0.056 4.619 4.660 0.025 0.000 0.241 385 W C 1.786 178.229 176.519 -0.127 0.000 1.289 385 W CA -0.420 56.877 57.345 -0.080 0.000 1.396 385 W CB 0.161 29.580 29.460 -0.069 0.000 1.138 385 W HN 0.406 nan 8.180 nan 0.000 0.677 386 L N -0.843 120.332 121.223 -0.079 0.000 2.298 386 L HA 0.106 4.464 4.340 0.029 0.000 0.209 386 L C 0.259 176.865 176.870 -0.440 0.000 1.084 386 L CA 1.542 56.211 54.840 -0.285 0.000 0.816 386 L CB -0.341 41.445 42.059 -0.454 0.000 0.967 386 L HN -0.040 nan 8.230 nan 0.000 0.460 387 H N -0.638 118.371 119.070 -0.101 0.000 2.336 387 H HA 0.316 4.877 4.556 0.009 0.000 0.230 387 H C -1.919 173.276 175.328 -0.222 0.000 1.426 387 H CA -1.629 54.299 56.048 -0.199 0.000 1.359 387 H CB 0.096 29.619 29.762 -0.397 0.000 1.555 387 H HN 0.081 nan 8.280 nan 0.000 0.512 388 P HA -0.102 nan 4.420 nan 0.000 0.237 388 P C 0.688 177.884 177.300 -0.172 0.000 1.178 388 P CA 0.977 63.949 63.100 -0.213 0.000 0.766 388 P CB 0.738 32.355 31.700 -0.138 0.000 0.876 389 E N -0.634 119.502 120.200 -0.106 0.000 2.465 389 E HA 0.028 4.395 4.350 0.029 0.000 0.209 389 E C 0.129 176.668 176.600 -0.102 0.000 0.951 389 E CA -0.024 56.325 56.400 -0.086 0.000 0.997 389 E CB -0.182 29.491 29.700 -0.045 0.000 1.025 389 E HN 0.183 nan 8.360 nan 0.000 0.500 390 D N 3.276 123.598 120.400 -0.130 0.000 2.502 390 D HA -0.055 4.602 4.640 0.029 0.000 0.249 390 D C -1.312 174.921 176.300 -0.110 0.000 1.188 390 D CA -1.109 52.797 54.000 -0.156 0.000 0.890 390 D CB 1.128 41.741 40.800 -0.313 0.000 1.140 390 D HN -0.075 nan 8.370 nan 0.000 0.505 391 P HA -0.114 nan 4.420 nan 0.000 0.221 391 P C 1.074 178.333 177.300 -0.067 0.000 1.150 391 P CA 0.856 63.900 63.100 -0.093 0.000 0.800 391 P CB 0.145 31.781 31.700 -0.107 0.000 0.787 392 T N -0.728 113.816 114.554 -0.017 0.000 2.746 392 T HA -0.167 4.200 4.350 0.029 0.000 0.267 392 T C 1.672 176.441 174.700 0.117 0.000 1.039 392 T CA 1.686 63.816 62.100 0.050 0.000 1.142 392 T CB -0.993 67.934 68.868 0.098 0.000 0.866 392 T HN 0.229 nan 8.240 nan 0.000 0.444 393 H N 0.955 119.980 119.070 -0.075 0.000 2.326 393 H HA 0.146 4.716 4.556 0.023 0.000 0.301 393 H C 2.184 177.422 175.328 -0.149 0.000 1.081 393 H CA 0.844 56.845 56.048 -0.080 0.000 1.334 393 H CB -0.737 28.976 29.762 -0.083 0.000 1.385 393 H HN 0.232 nan 8.280 nan 0.000 0.504 394 L N -0.079 121.080 121.223 -0.106 0.000 2.083 394 L HA -0.140 4.217 4.340 0.029 0.000 0.209 394 L C 2.773 179.606 176.870 -0.062 0.000 1.083 394 L CA 1.150 55.782 54.840 -0.347 0.000 0.752 394 L CB -0.324 41.547 42.059 -0.313 0.000 0.899 394 L HN 0.176 nan 8.230 nan 0.000 0.433 395 R N 0.618 121.142 120.500 0.039 0.000 2.070 395 R HA -0.179 4.178 4.340 0.029 0.000 0.232 395 R C 1.767 178.238 176.300 0.285 0.000 1.138 395 R CA 2.202 58.416 56.100 0.189 0.000 0.936 395 R CB -0.476 29.797 30.300 -0.044 0.000 0.839 395 R HN 0.293 nan 8.270 nan 0.000 0.429 396 D N 0.557 121.063 120.400 0.175 0.000 2.149 396 D HA -0.123 4.535 4.640 0.029 0.000 0.198 396 D C 1.776 178.177 176.300 0.169 0.000 0.990 396 D CA 1.525 55.633 54.000 0.180 0.000 0.839 396 D CB -0.330 40.524 40.800 0.090 0.000 0.948 396 D HN 0.386 nan 8.370 nan 0.000 0.460 397 A N 0.751 123.638 122.820 0.112 0.000 1.865 397 A HA -0.232 4.105 4.320 0.029 0.000 0.217 397 A C 2.171 179.899 177.584 0.241 0.000 1.191 397 A CA 2.072 54.203 52.037 0.156 0.000 0.623 397 A CB -0.640 18.323 19.000 -0.062 0.000 0.826 397 A HN 0.162 nan 8.150 nan 0.000 0.444 398 M N 0.257 120.083 119.600 0.376 0.000 2.082 398 M HA -0.140 4.357 4.480 0.029 0.000 0.258 398 M C 2.361 178.727 176.300 0.111 0.000 1.069 398 M CA 2.258 57.753 55.300 0.325 0.000 1.102 398 M CB -0.724 32.111 32.600 0.392 0.000 1.336 398 M HN 0.491 nan 8.290 nan 0.000 0.404 399 S N -0.346 115.448 115.700 0.157 0.000 2.359 399 S HA -0.152 4.335 4.470 0.029 0.000 0.224 399 S C 2.077 176.752 174.600 0.125 0.000 1.035 399 S CA 1.853 60.144 58.200 0.151 0.000 1.018 399 S CB -0.696 62.651 63.200 0.245 0.000 0.876 399 S HN 0.621 nan 8.310 nan 0.000 0.448 400 A N 0.957 123.862 122.820 0.142 0.000 1.883 400 A HA -0.022 4.315 4.320 0.029 0.000 0.217 400 A C 2.416 180.028 177.584 0.047 0.000 1.186 400 A CA 1.925 54.063 52.037 0.170 0.000 0.624 400 A CB -1.265 17.919 19.000 0.306 0.000 0.822 400 A HN 0.498 nan 8.150 nan 0.000 0.444 401 V N -0.636 119.150 119.914 -0.214 0.000 2.282 401 V HA -0.259 3.879 4.120 0.029 0.000 0.249 401 V C 2.530 178.575 176.094 -0.083 0.000 1.057 401 V CA 2.177 64.313 62.300 -0.273 0.000 1.032 401 V CB -0.748 30.922 31.823 -0.253 0.000 0.645 401 V HN 0.380 nan 8.190 nan 0.000 0.447 402 V N 0.285 120.167 119.914 -0.055 0.000 2.407 402 V HA -0.067 4.070 4.120 0.029 0.000 0.245 402 V C 2.541 178.606 176.094 -0.048 0.000 1.041 402 V CA 1.921 64.178 62.300 -0.071 0.000 1.040 402 V CB -0.956 30.852 31.823 -0.025 0.000 0.671 402 V HN 0.603 nan 8.190 nan 0.000 0.455 403 G N -0.072 108.756 108.800 0.047 0.000 2.480 403 G HA2 -0.272 3.705 3.960 0.029 0.000 0.216 403 G HA3 -0.272 3.705 3.960 0.029 0.000 0.216 403 G C 1.216 176.113 174.900 -0.004 0.000 1.200 403 G CA 1.169 46.312 45.100 0.071 0.000 0.782 403 G HN 0.501 nan 8.290 nan 0.000 0.554 404 D N -0.083 120.320 120.400 0.005 0.000 2.092 404 D HA -0.135 4.522 4.640 0.029 0.000 0.193 404 D C 2.112 178.146 176.300 -0.443 0.000 0.994 404 D CA 1.558 55.518 54.000 -0.066 0.000 0.828 404 D CB -0.623 40.315 40.800 0.230 0.000 0.963 404 D HN 0.443 nan 8.370 nan 0.000 0.450 405 H N 0.840 119.390 119.070 -0.866 0.000 2.353 405 H HA 0.025 4.598 4.556 0.028 0.000 0.300 405 H C 1.387 176.404 175.328 -0.518 0.000 1.090 405 H CA 1.684 56.996 56.048 -1.226 0.000 1.327 405 H CB -0.001 28.968 29.762 -1.322 0.000 1.383 405 H HN 0.049 nan 8.280 nan 0.000 0.508 406 N N -0.821 117.607 118.700 -0.453 0.000 2.388 406 N HA 0.019 4.776 4.740 0.029 0.000 0.176 406 N C 0.980 176.548 175.510 0.097 0.000 1.062 406 N CA 0.961 53.893 53.050 -0.197 0.000 0.895 406 N CB 1.346 39.734 38.487 -0.164 0.000 1.018 406 N HN 0.266 nan 8.380 nan 0.000 0.456 407 V N -0.328 119.594 119.914 0.014 0.000 3.442 407 V HA 0.015 4.152 4.120 0.029 0.000 0.205 407 V C 2.180 178.300 176.094 0.044 0.000 1.320 407 V CA 0.192 62.553 62.300 0.101 0.000 1.306 407 V CB -0.137 31.763 31.823 0.128 0.000 1.267 407 V HN -0.169 nan 8.190 nan 0.000 0.538 408 V N 0.025 119.954 119.914 0.026 0.000 2.287 408 V HA -0.298 3.839 4.120 0.029 0.000 0.248 408 V C 2.454 178.555 176.094 0.012 0.000 1.053 408 V CA 2.526 64.840 62.300 0.023 0.000 1.027 408 V CB -1.155 30.702 31.823 0.058 0.000 0.646 408 V HN 0.649 nan 8.190 nan 0.000 0.447 409 c N -0.124 118.477 118.600 0.003 0.000 2.466 409 c HA 0.019 4.606 4.570 0.029 0.000 0.278 409 c C 0.710 174.812 174.090 0.019 0.000 1.288 409 c CA 1.025 57.381 56.329 0.045 0.000 1.722 409 c CB -1.831 40.736 42.510 0.095 0.000 2.017 409 c HN 0.441 nan 8.230 nan 0.000 0.488 410 P HA -0.108 nan 4.420 nan 0.000 0.216 410 P C 1.746 179.029 177.300 -0.029 0.000 1.157 410 P CA 1.519 64.601 63.100 -0.029 0.000 0.880 410 P CB -0.180 31.498 31.700 -0.037 0.000 0.791 411 V N -0.406 119.492 119.914 -0.027 0.000 2.407 411 V HA -0.246 3.891 4.120 0.029 0.000 0.248 411 V C 2.380 178.407 176.094 -0.112 0.000 1.055 411 V CA 2.170 64.429 62.300 -0.069 0.000 1.049 411 V CB -1.596 30.181 31.823 -0.078 0.000 0.662 411 V HN 0.105 nan 8.190 nan 0.000 0.455 412 A N -0.491 122.285 122.820 -0.074 0.000 1.855 412 A HA -0.262 4.075 4.320 0.029 0.000 0.215 412 A C 2.167 179.747 177.584 -0.007 0.000 1.191 412 A CA 1.909 53.908 52.037 -0.063 0.000 0.613 412 A CB -0.659 18.356 19.000 0.025 0.000 0.829 412 A HN 0.499 nan 8.150 nan 0.000 0.442 413 Q N -0.211 119.605 119.800 0.026 0.000 2.118 413 Q HA -0.226 4.131 4.340 0.029 0.000 0.211 413 Q C 1.839 177.850 176.000 0.019 0.000 0.998 413 Q CA 2.388 58.216 55.803 0.041 0.000 0.872 413 Q CB -0.712 28.047 28.738 0.035 0.000 0.925 413 Q HN 0.574 nan 8.270 nan 0.000 0.414 414 L N -0.210 120.997 121.223 -0.026 0.000 2.072 414 L HA 0.084 4.441 4.340 0.029 0.000 0.205 414 L C 2.109 178.942 176.870 -0.061 0.000 1.079 414 L CA 2.136 56.945 54.840 -0.052 0.000 0.752 414 L CB -1.039 40.970 42.059 -0.084 0.000 0.906 414 L HN 0.224 nan 8.230 nan 0.000 0.436 415 A N -0.250 122.505 122.820 -0.109 0.000 1.877 415 A HA -0.079 4.258 4.320 0.029 0.000 0.216 415 A C 2.336 179.987 177.584 0.111 0.000 1.186 415 A CA 1.624 53.568 52.037 -0.156 0.000 0.620 415 A CB -1.694 16.963 19.000 -0.571 0.000 0.822 415 A HN 0.539 nan 8.150 nan 0.000 0.443 416 G N -0.556 108.370 108.800 0.210 0.000 2.459 416 G HA2 -0.252 3.725 3.960 0.029 0.000 0.217 416 G HA3 -0.252 3.725 3.960 0.029 0.000 0.217 416 G C 1.673 176.670 174.900 0.162 0.000 1.183 416 G CA 0.940 46.210 45.100 0.283 0.000 0.776 416 G HN 0.389 nan 8.290 nan 0.000 0.552 417 R N 0.193 120.758 120.500 0.109 0.000 2.092 417 R HA 0.132 4.489 4.340 0.029 0.000 0.231 417 R C 2.680 179.061 176.300 0.134 0.000 1.119 417 R CA 0.449 56.617 56.100 0.113 0.000 0.970 417 R CB -1.128 29.234 30.300 0.103 0.000 0.864 417 R HN 0.414 nan 8.270 nan 0.000 0.440 418 L N 0.071 121.328 121.223 0.057 0.000 2.046 418 L HA -0.136 4.221 4.340 0.029 0.000 0.208 418 L C 2.514 179.453 176.870 0.115 0.000 1.077 418 L CA 1.446 56.294 54.840 0.013 0.000 0.747 418 L CB -0.651 41.317 42.059 -0.151 0.000 0.896 418 L HN 0.152 nan 8.230 nan 0.000 0.432 419 A N 0.061 122.952 122.820 0.118 0.000 1.855 419 A HA -0.147 4.190 4.320 0.029 0.000 0.215 419 A C 2.566 180.207 177.584 0.095 0.000 1.191 419 A CA 1.633 53.735 52.037 0.110 0.000 0.613 419 A CB -0.787 18.294 19.000 0.134 0.000 0.829 419 A HN 0.382 nan 8.150 nan 0.000 0.442 420 A N -0.717 122.164 122.820 0.102 0.000 1.903 420 A HA -0.245 4.092 4.320 0.029 0.000 0.219 420 A C 1.891 179.530 177.584 0.091 0.000 1.191 420 A CA 1.965 54.052 52.037 0.083 0.000 0.638 420 A CB -0.552 18.499 19.000 0.084 0.000 0.823 420 A HN 0.592 nan 8.150 nan 0.000 0.451 421 Q N -1.584 118.302 119.800 0.143 0.000 2.225 421 Q HA 0.403 4.760 4.340 0.029 0.000 0.222 421 Q C 0.856 176.955 176.000 0.165 0.000 0.887 421 Q CA 0.576 56.465 55.803 0.143 0.000 0.958 421 Q CB 0.219 29.056 28.738 0.165 0.000 1.058 421 Q HN 0.909 nan 8.270 nan 0.000 0.459 422 G N -1.010 107.872 108.800 0.136 0.000 2.179 422 G HA2 -0.255 3.722 3.960 0.029 0.000 0.220 422 G HA3 -0.255 3.722 3.960 0.029 0.000 0.220 422 G C 0.384 175.358 174.900 0.123 0.000 0.990 422 G CA -0.214 44.949 45.100 0.106 0.000 0.646 422 G HN 0.572 nan 8.290 nan 0.000 0.517 423 A N -0.150 122.768 122.820 0.164 0.000 2.310 423 A HA 0.741 5.078 4.320 0.029 0.000 0.260 423 A C 0.748 178.368 177.584 0.060 0.000 1.112 423 A CA 0.758 52.867 52.037 0.121 0.000 0.804 423 A CB 0.320 19.369 19.000 0.080 0.000 1.081 423 A HN 0.991 nan 8.150 nan 0.000 0.499 424 R N 0.069 120.597 120.500 0.045 0.000 2.360 424 R HA 0.550 4.907 4.340 0.029 0.000 0.318 424 R C -1.941 174.328 176.300 -0.051 0.000 0.950 424 R CA -0.281 55.808 56.100 -0.017 0.000 0.837 424 R CB 0.950 31.263 30.300 0.021 0.000 1.165 424 R HN 0.448 nan 8.270 nan 0.000 0.458 425 V N 5.492 125.313 119.914 -0.156 0.000 2.495 425 V HA 0.440 4.577 4.120 0.029 0.000 0.298 425 V C -1.082 174.829 176.094 -0.304 0.000 1.031 425 V CA -0.738 61.492 62.300 -0.116 0.000 0.871 425 V CB 1.469 33.311 31.823 0.031 0.000 0.988 425 V HN 0.651 nan 8.190 nan 0.000 0.432 426 Y N 2.291 122.512 120.300 -0.132 0.000 2.364 426 Y HA 0.787 5.354 4.550 0.028 0.000 0.340 426 Y C 0.307 176.208 175.900 0.001 0.000 0.975 426 Y CA -0.557 57.425 58.100 -0.198 0.000 1.089 426 Y CB 2.218 40.188 38.460 -0.817 0.000 1.192 426 Y HN 0.756 nan 8.280 nan 0.000 0.454 427 A N 3.292 126.443 122.820 0.550 0.000 2.414 427 A HA 0.824 5.161 4.320 0.029 0.000 0.306 427 A C -1.801 176.150 177.584 0.612 0.000 1.054 427 A CA -0.697 51.554 52.037 0.357 0.000 0.724 427 A CB 0.886 19.900 19.000 0.022 0.000 1.267 427 A HN 0.727 nan 8.150 nan 0.000 0.418 428 Y N -0.067 120.471 120.300 0.397 0.000 2.634 428 Y HA 0.827 5.394 4.550 0.028 0.000 0.340 428 Y C -0.845 175.159 175.900 0.174 0.000 1.058 428 Y CA -1.891 56.368 58.100 0.265 0.000 1.081 428 Y CB 1.326 39.948 38.460 0.269 0.000 1.295 428 Y HN 0.757 nan 8.280 nan 0.000 0.487 429 I N 2.029 122.882 120.570 0.472 0.000 2.498 429 I HA 0.509 4.696 4.170 0.029 0.000 0.290 429 I C -2.038 174.377 176.117 0.498 0.000 1.032 429 I CA -1.006 60.536 61.300 0.403 0.000 1.073 429 I CB 1.461 39.546 38.000 0.142 0.000 1.251 429 I HN 0.723 nan 8.210 nan 0.000 0.426 430 F N 7.125 127.309 119.950 0.390 0.000 2.391 430 F HA 0.431 4.975 4.527 0.030 0.000 0.359 430 F C 0.542 176.455 175.800 0.189 0.000 1.122 430 F CA 0.068 58.227 58.000 0.266 0.000 1.120 430 F CB 0.994 40.152 39.000 0.263 0.000 1.142 430 F HN 0.594 nan 8.300 nan 0.000 0.483 431 E N 3.127 123.171 120.200 -0.259 0.000 2.603 431 E HA -0.012 4.355 4.350 0.029 0.000 0.211 431 E C -0.862 175.595 176.600 -0.238 0.000 0.995 431 E CA -0.158 56.162 56.400 -0.134 0.000 0.990 431 E CB 0.274 29.936 29.700 -0.062 0.000 1.036 431 E HN 0.497 nan 8.360 nan 0.000 0.475 432 H N 1.194 119.861 119.070 -0.670 0.000 2.519 432 H HA 0.271 4.844 4.556 0.028 0.000 0.316 432 H C -0.599 174.639 175.328 -0.150 0.000 1.065 432 H CA -0.640 55.082 56.048 -0.544 0.000 1.264 432 H CB 0.565 29.738 29.762 -0.981 0.000 1.413 432 H HN -0.152 nan 8.280 nan 0.000 0.465 433 R N 4.144 124.270 120.500 -0.623 0.000 2.216 433 R HA 0.490 4.847 4.340 0.029 0.000 0.332 433 R C -0.539 175.464 176.300 -0.495 0.000 1.056 433 R CA -0.611 55.282 56.100 -0.345 0.000 0.901 433 R CB 0.297 30.502 30.300 -0.158 0.000 1.039 433 R HN 0.821 nan 8.270 nan 0.000 0.456 434 A N 3.280 126.094 122.820 -0.011 0.000 2.566 434 A HA -0.018 4.319 4.320 0.029 0.000 0.245 434 A C 1.433 179.089 177.584 0.120 0.000 1.056 434 A CA 0.612 52.847 52.037 0.330 0.000 0.757 434 A CB 0.261 19.586 19.000 0.543 0.000 0.979 434 A HN 1.044 nan 8.150 nan 0.000 0.508 435 S N 1.953 117.757 115.700 0.173 0.000 2.400 435 S HA -0.187 4.300 4.470 0.029 0.000 0.232 435 S C 1.372 175.949 174.600 -0.038 0.000 1.025 435 S CA 1.820 60.057 58.200 0.062 0.000 0.993 435 S CB -0.968 62.292 63.200 0.100 0.000 0.808 435 S HN 1.328 nan 8.310 nan 0.000 0.478 436 T N -0.567 113.913 114.554 -0.123 0.000 3.272 436 T HA 0.407 4.774 4.350 0.029 0.000 0.250 436 T C 0.272 174.877 174.700 -0.158 0.000 1.082 436 T CA -0.507 61.458 62.100 -0.225 0.000 0.968 436 T CB -0.629 67.944 68.868 -0.492 0.000 1.015 436 T HN 0.310 nan 8.240 nan 0.000 0.563 437 L N 2.903 124.073 121.223 -0.089 0.000 2.439 437 L HA 0.339 4.696 4.340 0.029 0.000 0.269 437 L C 1.568 178.379 176.870 -0.098 0.000 1.179 437 L CA 0.461 55.240 54.840 -0.102 0.000 0.828 437 L CB 1.094 43.096 42.059 -0.095 0.000 1.106 437 L HN 0.412 nan 8.230 nan 0.000 0.467 438 T N -1.483 112.986 114.554 -0.140 0.000 3.044 438 T HA 0.182 4.549 4.350 0.029 0.000 0.260 438 T C 0.095 174.808 174.700 0.021 0.000 1.019 438 T CA -0.573 61.459 62.100 -0.113 0.000 0.921 438 T CB -0.230 68.486 68.868 -0.254 0.000 1.053 438 T HN 0.395 nan 8.240 nan 0.000 0.533 439 W N 3.045 124.385 121.300 0.067 0.000 2.183 439 W HA 0.517 5.194 4.660 0.028 0.000 0.348 439 W C -2.075 174.382 176.519 -0.102 0.000 1.257 439 W CA -2.085 55.278 57.345 0.030 0.000 1.324 439 W CB 0.270 29.692 29.460 -0.063 0.000 1.144 439 W HN -0.037 nan 8.180 nan 0.000 0.622 440 P HA 0.121 nan 4.420 nan 0.000 0.276 440 P C 0.514 177.774 177.300 -0.066 0.000 1.261 440 P CA -0.229 62.882 63.100 0.017 0.000 0.800 440 P CB 0.940 32.705 31.700 0.109 0.000 1.066 441 L N -0.050 121.196 121.223 0.037 0.000 2.079 441 L HA -0.134 4.223 4.340 0.029 0.000 0.210 441 L C 2.430 179.337 176.870 0.061 0.000 1.081 441 L CA 1.458 56.326 54.840 0.046 0.000 0.752 441 L CB -0.848 41.264 42.059 0.088 0.000 0.896 441 L HN 0.606 nan 8.230 nan 0.000 0.433 442 W N -0.799 120.549 121.300 0.080 0.000 2.632 442 W HA -0.127 4.549 4.660 0.027 0.000 0.248 442 W C 1.508 178.090 176.519 0.106 0.000 1.259 442 W CA 0.372 57.770 57.345 0.088 0.000 1.288 442 W CB -0.716 28.800 29.460 0.094 0.000 1.136 442 W HN 0.234 nan 8.180 nan 0.000 0.640 443 M N 1.101 120.395 119.600 -0.510 0.000 2.556 443 M HA 0.155 4.653 4.480 0.029 0.000 0.245 443 M C 1.784 177.983 176.300 -0.168 0.000 1.128 443 M CA 1.169 56.147 55.300 -0.537 0.000 1.069 443 M CB -0.360 31.812 32.600 -0.713 0.000 1.469 443 M HN 0.150 nan 8.290 nan 0.000 0.494 444 G N 0.983 109.744 108.800 -0.064 0.000 2.591 444 G HA2 -0.290 3.687 3.960 0.029 0.000 0.298 444 G HA3 -0.290 3.687 3.960 0.029 0.000 0.298 444 G C -0.136 174.761 174.900 -0.005 0.000 1.195 444 G CA -0.116 44.986 45.100 0.002 0.000 0.989 444 G HN 0.244 nan 8.290 nan 0.000 0.551 445 V N 3.547 123.493 119.914 0.053 0.000 2.277 445 V HA 0.503 4.640 4.120 0.029 0.000 0.269 445 V C -1.905 174.278 176.094 0.148 0.000 1.036 445 V CA -0.821 61.555 62.300 0.126 0.000 0.821 445 V CB 1.301 33.249 31.823 0.208 0.000 1.052 445 V HN 0.563 nan 8.190 nan 0.000 0.462 446 P HA 0.261 nan 4.420 nan 0.000 0.282 446 P C -0.290 177.098 177.300 0.147 0.000 1.259 446 P CA -0.706 62.437 63.100 0.071 0.000 0.826 446 P CB 0.425 32.074 31.700 -0.085 0.000 1.064 447 H N 0.931 119.900 119.070 -0.169 0.000 3.209 447 H HA 0.141 4.714 4.556 0.028 0.000 0.297 447 H C 1.638 176.695 175.328 -0.453 0.000 0.936 447 H CA 2.533 58.389 56.048 -0.319 0.000 1.392 447 H CB -0.696 28.707 29.762 -0.597 0.000 1.349 447 H HN 0.784 nan 8.280 nan 0.000 0.568 448 G N 3.517 111.926 108.800 -0.652 0.000 2.213 448 G HA2 -0.307 3.670 3.960 0.029 0.000 0.236 448 G HA3 -0.307 3.670 3.960 0.029 0.000 0.236 448 G C 0.517 175.177 174.900 -0.400 0.000 0.991 448 G CA 0.339 45.040 45.100 -0.664 0.000 0.629 448 G HN 0.646 nan 8.290 nan 0.000 0.517 449 Y N 1.594 121.916 120.300 0.035 0.000 2.645 449 Y HA 0.343 4.910 4.550 0.029 0.000 0.307 449 Y C 2.019 177.985 175.900 0.109 0.000 1.151 449 Y CA 0.676 58.871 58.100 0.159 0.000 1.291 449 Y CB 0.434 39.028 38.460 0.223 0.000 1.135 449 Y HN 0.490 nan 8.280 nan 0.000 0.523 450 E N -0.544 119.567 120.200 -0.148 0.000 2.434 450 E HA 0.009 4.376 4.350 0.029 0.000 0.207 450 E C 1.477 177.961 176.600 -0.193 0.000 0.929 450 E CA 0.380 56.419 56.400 -0.602 0.000 1.001 450 E CB -0.411 28.457 29.700 -1.386 0.000 1.016 450 E HN 0.533 nan 8.360 nan 0.000 0.502 451 I N 3.302 123.836 120.570 -0.060 0.000 2.151 451 I HA -0.329 3.858 4.170 0.029 0.000 0.243 451 I C 2.744 178.871 176.117 0.017 0.000 1.080 451 I CA 2.339 63.663 61.300 0.040 0.000 1.339 451 I CB -0.447 37.627 38.000 0.124 0.000 1.039 451 I HN 0.233 nan 8.210 nan 0.000 0.409 452 E N 0.968 121.123 120.200 -0.076 0.000 2.160 452 E HA -0.248 4.119 4.350 0.029 0.000 0.195 452 E C 2.073 178.450 176.600 -0.370 0.000 0.991 452 E CA 1.568 57.826 56.400 -0.237 0.000 0.810 452 E CB -0.563 28.974 29.700 -0.271 0.000 0.742 452 E HN 0.467 nan 8.360 nan 0.000 0.466 453 F N 1.234 121.076 119.950 -0.180 0.000 2.149 453 F HA -0.040 4.505 4.527 0.029 0.000 0.294 453 F C 2.392 177.967 175.800 -0.374 0.000 1.095 453 F CA 0.496 58.341 58.000 -0.258 0.000 1.276 453 F CB -0.161 38.772 39.000 -0.111 0.000 1.023 453 F HN -0.041 nan 8.300 nan 0.000 0.480 454 I N -0.540 119.878 120.570 -0.253 0.000 2.208 454 I HA -0.308 3.879 4.170 0.029 0.000 0.245 454 I C 2.180 178.050 176.117 -0.411 0.000 1.097 454 I CA 1.747 62.726 61.300 -0.534 0.000 1.363 454 I CB -1.496 36.059 38.000 -0.742 0.000 1.051 454 I HN 0.088 nan 8.210 nan 0.000 0.413 455 F N 0.748 120.520 119.950 -0.296 0.000 2.661 455 F HA 0.161 4.705 4.527 0.028 0.000 0.298 455 F C 1.897 177.585 175.800 -0.186 0.000 1.137 455 F CA 0.985 58.858 58.000 -0.211 0.000 1.454 455 F CB -0.217 38.640 39.000 -0.239 0.000 1.103 455 F HN 0.308 nan 8.300 nan 0.000 0.577 456 G N -0.116 108.537 108.800 -0.244 0.000 2.131 456 G HA2 -0.250 3.728 3.960 0.029 0.000 0.223 456 G HA3 -0.250 3.728 3.960 0.029 0.000 0.223 456 G C 1.087 175.367 174.900 -1.034 0.000 0.990 456 G CA 0.238 45.043 45.100 -0.492 0.000 0.671 456 G HN 0.344 nan 8.290 nan 0.000 0.521 457 L N -0.121 120.588 121.223 -0.856 0.000 2.079 457 L HA -0.062 4.295 4.340 0.029 0.000 0.210 457 L C 0.147 176.486 176.870 -0.884 0.000 1.081 457 L CA 2.135 56.436 54.840 -0.898 0.000 0.752 457 L CB -1.117 40.632 42.059 -0.517 0.000 0.896 457 L HN 0.191 nan 8.230 nan 0.000 0.433 458 P HA -0.141 nan 4.420 nan 0.000 0.228 458 P C 1.629 178.702 177.300 -0.380 0.000 1.151 458 P CA 1.018 63.632 63.100 -0.809 0.000 0.770 458 P CB 0.015 31.238 31.700 -0.795 0.000 0.786 459 L N -1.309 119.622 121.223 -0.487 0.000 2.465 459 L HA -0.002 4.355 4.340 0.029 0.000 0.224 459 L C 0.909 177.685 176.870 -0.157 0.000 1.145 459 L CA 0.747 55.413 54.840 -0.290 0.000 0.834 459 L CB -0.736 41.152 42.059 -0.285 0.000 0.944 459 L HN 0.060 nan 8.230 nan 0.000 0.451 460 D N 1.042 121.327 120.400 -0.191 0.000 2.347 460 D HA 0.140 4.797 4.640 0.029 0.000 0.235 460 D C -1.749 174.563 176.300 0.020 0.000 1.149 460 D CA -2.224 51.782 54.000 0.011 0.000 0.850 460 D CB 1.839 42.703 40.800 0.106 0.000 1.061 460 D HN -0.115 nan 8.370 nan 0.000 0.487 461 P HA -0.109 nan 4.420 nan 0.000 0.219 461 P C 1.225 178.538 177.300 0.022 0.000 1.150 461 P CA 0.828 63.943 63.100 0.025 0.000 0.814 461 P CB 0.025 31.737 31.700 0.019 0.000 0.787 462 S N -1.318 114.395 115.700 0.021 0.000 2.584 462 S HA -0.061 4.427 4.470 0.029 0.000 0.240 462 S C 1.434 176.029 174.600 -0.008 0.000 0.975 462 S CA 0.805 59.008 58.200 0.005 0.000 0.949 462 S CB -1.360 61.844 63.200 0.007 0.000 0.761 462 S HN 0.122 nan 8.310 nan 0.000 0.536 463 L N 0.238 121.468 121.223 0.010 0.000 2.693 463 L HA 0.313 4.670 4.340 0.029 0.000 0.235 463 L C 0.141 176.940 176.870 -0.119 0.000 1.127 463 L CA -0.195 54.632 54.840 -0.022 0.000 0.914 463 L CB -0.237 41.874 42.059 0.087 0.000 1.193 463 L HN 0.178 nan 8.230 nan 0.000 0.502 464 N N -1.163 117.504 118.700 -0.055 0.000 2.776 464 N HA -0.235 4.522 4.740 0.029 0.000 0.250 464 N C -0.629 174.819 175.510 -0.103 0.000 1.112 464 N CA 0.790 53.791 53.050 -0.082 0.000 0.733 464 N CB -1.829 36.588 38.487 -0.116 0.000 1.097 464 N HN 0.261 nan 8.380 nan 0.000 0.558 465 Y N 1.303 121.578 120.300 -0.041 0.000 2.359 465 Y HA 0.137 4.703 4.550 0.028 0.000 0.330 465 Y C 1.830 177.742 175.900 0.020 0.000 1.143 465 Y CA 0.063 58.157 58.100 -0.009 0.000 1.318 465 Y CB 0.623 39.055 38.460 -0.047 0.000 1.234 465 Y HN 0.091 nan 8.280 nan 0.000 0.522 466 T N -1.491 113.189 114.554 0.210 0.000 2.908 466 T HA -0.110 4.257 4.350 0.029 0.000 0.325 466 T C 1.437 176.212 174.700 0.124 0.000 1.092 466 T CA 0.201 62.382 62.100 0.136 0.000 1.125 466 T CB 0.959 69.901 68.868 0.123 0.000 1.016 466 T HN 0.878 nan 8.240 nan 0.000 0.550 467 T N 0.436 115.034 114.554 0.074 0.000 2.915 467 T HA -0.095 4.272 4.350 0.029 0.000 0.269 467 T C 1.560 176.291 174.700 0.051 0.000 1.071 467 T CA 1.760 63.892 62.100 0.053 0.000 1.132 467 T CB -0.504 68.383 68.868 0.032 0.000 0.878 467 T HN 0.784 nan 8.240 nan 0.000 0.479 468 E N 0.927 121.156 120.200 0.048 0.000 2.072 468 E HA -0.048 4.319 4.350 0.029 0.000 0.191 468 E C 2.326 178.964 176.600 0.063 0.000 0.985 468 E CA 1.304 57.719 56.400 0.024 0.000 0.801 468 E CB -0.140 29.547 29.700 -0.022 0.000 0.750 468 E HN 0.662 nan 8.360 nan 0.000 0.452 469 E N 0.356 120.638 120.200 0.136 0.000 2.110 469 E HA -0.181 4.186 4.350 0.029 0.000 0.193 469 E C 2.108 178.863 176.600 0.257 0.000 0.988 469 E CA 0.552 57.136 56.400 0.307 0.000 0.804 469 E CB -0.032 29.974 29.700 0.509 0.000 0.745 469 E HN 0.035 nan 8.360 nan 0.000 0.458 470 R N 0.998 121.567 120.500 0.116 0.000 2.120 470 R HA -0.124 4.233 4.340 0.029 0.000 0.234 470 R C 2.032 178.340 176.300 0.013 0.000 1.123 470 R CA 0.971 57.078 56.100 0.011 0.000 0.975 470 R CB -0.174 30.122 30.300 -0.007 0.000 0.866 470 R HN 0.228 nan 8.270 nan 0.000 0.446 471 I N -0.154 120.447 120.570 0.051 0.000 2.277 471 I HA -0.231 3.956 4.170 0.029 0.000 0.243 471 I C 2.186 178.336 176.117 0.055 0.000 1.094 471 I CA 0.695 62.014 61.300 0.032 0.000 1.393 471 I CB -0.453 37.565 38.000 0.030 0.000 1.078 471 I HN 0.030 nan 8.210 nan 0.000 0.417 472 F N 2.221 122.130 119.950 -0.069 0.000 2.115 472 F HA -0.338 4.207 4.527 0.030 0.000 0.300 472 F C 2.403 178.184 175.800 -0.033 0.000 1.092 472 F CA 1.522 59.469 58.000 -0.089 0.000 1.245 472 F CB -0.532 38.364 39.000 -0.173 0.000 0.995 472 F HN 0.040 nan 8.300 nan 0.000 0.481 473 A N 0.010 122.788 122.820 -0.071 0.000 1.930 473 A HA -0.191 4.147 4.320 0.029 0.000 0.217 473 A C 2.120 179.566 177.584 -0.229 0.000 1.175 473 A CA 1.514 53.441 52.037 -0.183 0.000 0.627 473 A CB -0.748 18.172 19.000 -0.133 0.000 0.815 473 A HN 0.618 nan 8.150 nan 0.000 0.443 474 Q N -0.746 118.957 119.800 -0.161 0.000 2.124 474 Q HA -0.192 4.165 4.340 0.029 0.000 0.202 474 Q C 2.276 178.156 176.000 -0.201 0.000 0.977 474 Q CA 1.495 57.209 55.803 -0.149 0.000 0.850 474 Q CB -0.225 28.455 28.738 -0.097 0.000 0.901 474 Q HN 0.666 nan 8.270 nan 0.000 0.429 475 R N 0.714 121.065 120.500 -0.249 0.000 2.075 475 R HA -0.052 4.305 4.340 0.029 0.000 0.232 475 R C 2.327 178.290 176.300 -0.561 0.000 1.126 475 R CA 0.799 56.664 56.100 -0.391 0.000 0.963 475 R CB -0.064 30.058 30.300 -0.297 0.000 0.858 475 R HN 0.205 nan 8.270 nan 0.000 0.435 476 L N -0.106 120.866 121.223 -0.419 0.000 2.093 476 L HA -0.155 4.202 4.340 0.029 0.000 0.208 476 L C 2.476 179.270 176.870 -0.126 0.000 1.085 476 L CA 1.211 55.907 54.840 -0.241 0.000 0.755 476 L CB -0.287 41.494 42.059 -0.463 0.000 0.904 476 L HN 0.264 nan 8.230 nan 0.000 0.435 477 M N -0.674 118.802 119.600 -0.206 0.000 2.213 477 M HA -0.198 4.299 4.480 0.029 0.000 0.263 477 M C 2.208 178.497 176.300 -0.019 0.000 1.062 477 M CA 1.615 56.838 55.300 -0.128 0.000 1.105 477 M CB -0.230 32.283 32.600 -0.145 0.000 1.385 477 M HN 0.124 nan 8.290 nan 0.000 0.417 478 K N -0.604 119.750 120.400 -0.076 0.000 2.076 478 K HA -0.100 4.237 4.320 0.029 0.000 0.204 478 K C 1.883 178.553 176.600 0.117 0.000 1.051 478 K CA 1.180 57.446 56.287 -0.036 0.000 0.949 478 K CB -0.111 32.311 32.500 -0.131 0.000 0.726 478 K HN 0.242 nan 8.250 nan 0.000 0.443 479 Y N 0.289 120.721 120.300 0.220 0.000 2.097 479 Y HA -0.250 4.317 4.550 0.028 0.000 0.282 479 Y C 2.277 178.332 175.900 0.258 0.000 1.152 479 Y CA 0.780 59.057 58.100 0.296 0.000 1.136 479 Y CB -0.913 37.873 38.460 0.544 0.000 0.975 479 Y HN 0.217 nan 8.280 nan 0.000 0.498 480 W N 0.531 121.908 121.300 0.127 0.000 2.355 480 W HA -0.226 4.450 4.660 0.028 0.000 0.309 480 W C 2.443 178.964 176.519 0.003 0.000 1.206 480 W CA 2.160 59.519 57.345 0.024 0.000 1.284 480 W CB -0.659 28.735 29.460 -0.111 0.000 1.145 480 W HN 0.232 nan 8.180 nan 0.000 0.502 481 T N -2.414 112.246 114.554 0.178 0.000 2.985 481 T HA -0.101 4.266 4.350 0.029 0.000 0.266 481 T C 1.371 176.095 174.700 0.040 0.000 1.076 481 T CA 1.010 63.144 62.100 0.057 0.000 1.135 481 T CB -0.498 68.385 68.868 0.025 0.000 0.890 481 T HN -0.073 nan 8.240 nan 0.000 0.480 482 N N 0.921 119.668 118.700 0.079 0.000 2.142 482 N HA 0.045 4.802 4.740 0.029 0.000 0.186 482 N C 1.342 176.854 175.510 0.003 0.000 1.023 482 N CA 0.783 53.858 53.050 0.042 0.000 0.852 482 N CB -0.656 37.878 38.487 0.078 0.000 0.998 482 N HN 0.444 nan 8.380 nan 0.000 0.424 483 F N 1.818 121.676 119.950 -0.153 0.000 2.134 483 F HA -0.103 4.442 4.527 0.029 0.000 0.299 483 F C 2.133 177.845 175.800 -0.148 0.000 1.097 483 F CA 1.273 59.131 58.000 -0.237 0.000 1.264 483 F CB -0.434 38.337 39.000 -0.382 0.000 1.001 483 F HN 0.030 nan 8.300 nan 0.000 0.479 484 A N 0.610 123.343 122.820 -0.144 0.000 1.858 484 A HA -0.192 4.145 4.320 0.029 0.000 0.216 484 A C 2.379 179.839 177.584 -0.205 0.000 1.190 484 A CA 1.783 53.703 52.037 -0.196 0.000 0.617 484 A CB -0.815 18.138 19.000 -0.078 0.000 0.827 484 A HN 0.429 nan 8.150 nan 0.000 0.443 485 R N -1.151 119.270 120.500 -0.132 0.000 2.105 485 R HA -0.109 4.248 4.340 0.029 0.000 0.239 485 R C 1.911 178.127 176.300 -0.141 0.000 1.135 485 R CA 1.944 57.979 56.100 -0.109 0.000 0.967 485 R CB -0.203 30.060 30.300 -0.061 0.000 0.861 485 R HN 0.765 nan 8.270 nan 0.000 0.442 486 T N -6.366 108.081 114.554 -0.179 0.000 3.009 486 T HA 0.254 4.621 4.350 0.029 0.000 0.267 486 T C 1.172 175.753 174.700 -0.198 0.000 0.942 486 T CA 0.375 62.384 62.100 -0.151 0.000 0.883 486 T CB 1.380 70.197 68.868 -0.085 0.000 1.192 486 T HN 0.313 nan 8.240 nan 0.000 0.524 487 G N 1.231 109.794 108.800 -0.395 0.000 2.179 487 G HA2 -0.178 3.799 3.960 0.029 0.000 0.260 487 G HA3 -0.178 3.799 3.960 0.029 0.000 0.260 487 G C -0.331 174.542 174.900 -0.044 0.000 0.977 487 G CA 0.218 45.078 45.100 -0.401 0.000 0.641 487 G HN 0.759 nan 8.290 nan 0.000 0.533 488 D N -0.288 120.051 120.400 -0.101 0.000 2.620 488 D HA 0.471 5.128 4.640 0.029 0.000 0.252 488 D C -1.373 174.771 176.300 -0.261 0.000 1.207 488 D CA -1.732 52.142 54.000 -0.210 0.000 0.884 488 D CB 2.152 42.921 40.800 -0.052 0.000 1.262 488 D HN 0.015 nan 8.370 nan 0.000 0.552 489 P HA -0.045 nan 4.420 nan 0.000 0.230 489 P C -0.055 177.252 177.300 0.012 0.000 1.158 489 P CA 0.180 63.102 63.100 -0.298 0.000 0.769 489 P CB 0.349 31.580 31.700 -0.783 0.000 0.807 490 N N 1.741 120.419 118.700 -0.037 0.000 2.520 490 N HA 0.023 4.780 4.740 0.029 0.000 0.273 490 N C 0.013 175.596 175.510 0.121 0.000 1.155 490 N CA 0.121 53.245 53.050 0.124 0.000 0.967 490 N CB 0.531 39.082 38.487 0.106 0.000 1.092 490 N HN -0.017 nan 8.380 nan 0.000 0.457 491 D N 2.726 123.222 120.400 0.160 0.000 2.363 491 D HA 0.047 4.704 4.640 0.029 0.000 0.263 491 D C -1.361 174.984 176.300 0.076 0.000 1.258 491 D CA -1.446 52.617 54.000 0.104 0.000 0.907 491 D CB 0.895 41.754 40.800 0.098 0.000 1.107 491 D HN 0.331 nan 8.370 nan 0.000 0.495 492 P HA 0.015 nan 4.420 nan 0.000 0.245 492 P C 0.189 177.511 177.300 0.038 0.000 1.212 492 P CA 0.176 63.302 63.100 0.043 0.000 0.774 492 P CB 0.461 32.179 31.700 0.029 0.000 0.999 493 R N 0.882 121.406 120.500 0.039 0.000 3.026 493 R HA 0.302 4.659 4.340 0.029 0.000 0.317 493 R C -0.591 175.733 176.300 0.041 0.000 1.278 493 R CA -0.119 56.002 56.100 0.034 0.000 1.407 493 R CB -0.291 30.024 30.300 0.026 0.000 1.368 493 R HN 0.017 nan 8.270 nan 0.000 0.612 494 D N -0.210 120.221 120.400 0.052 0.000 2.381 494 D HA 0.042 4.699 4.640 0.029 0.000 0.245 494 D C 0.832 177.170 176.300 0.062 0.000 1.297 494 D CA -0.054 53.981 54.000 0.059 0.000 0.931 494 D CB 1.063 41.909 40.800 0.077 0.000 1.334 494 D HN 0.033 nan 8.370 nan 0.000 0.535 495 S N 2.995 118.725 115.700 0.050 0.000 2.351 495 S HA -0.167 4.321 4.470 0.029 0.000 0.220 495 S C 1.012 175.643 174.600 0.052 0.000 1.035 495 S CA 0.941 59.170 58.200 0.048 0.000 1.031 495 S CB -0.049 63.173 63.200 0.038 0.000 0.928 495 S HN 0.248 nan 8.310 nan 0.000 0.433 496 K N 2.217 122.647 120.400 0.048 0.000 2.472 496 K HA 0.253 4.591 4.320 0.029 0.000 0.280 496 K C -1.059 175.579 176.600 0.063 0.000 1.028 496 K CA 0.522 56.838 56.287 0.049 0.000 1.045 496 K CB -0.033 32.492 32.500 0.042 0.000 0.902 496 K HN 0.293 nan 8.250 nan 0.000 0.478 497 S N 4.232 119.969 115.700 0.061 0.000 2.547 497 S HA 0.378 4.865 4.470 0.029 0.000 0.270 497 S C -2.705 171.930 174.600 0.059 0.000 1.150 497 S CA -1.144 57.100 58.200 0.073 0.000 0.850 497 S CB 1.222 64.474 63.200 0.086 0.000 1.118 497 S HN 0.636 nan 8.310 nan 0.000 0.461 498 P HA -0.153 nan 4.420 nan 0.000 0.169 498 P C -0.938 176.428 177.300 0.110 0.000 0.878 498 P CA 0.940 64.082 63.100 0.070 0.000 0.999 498 P CB -0.096 31.640 31.700 0.060 0.000 1.234 499 Q N 0.984 120.858 119.800 0.123 0.000 2.235 499 Q HA 0.240 4.597 4.340 0.029 0.000 0.256 499 Q C -0.274 175.870 176.000 0.240 0.000 0.951 499 Q CA -0.381 55.528 55.803 0.177 0.000 0.890 499 Q CB 1.616 30.447 28.738 0.156 0.000 1.279 499 Q HN 0.466 nan 8.270 nan 0.000 0.444 500 W N 5.288 126.631 121.300 0.071 0.000 2.416 500 W HA 0.317 4.996 4.660 0.031 0.000 0.318 500 W C -2.486 174.161 176.519 0.214 0.000 1.150 500 W CA -2.393 55.007 57.345 0.090 0.000 1.392 500 W CB 0.166 29.616 29.460 -0.017 0.000 1.311 500 W HN 0.358 nan 8.180 nan 0.000 0.436 501 P HA 0.221 nan 4.420 nan 0.000 0.279 501 P C -2.479 175.000 177.300 0.298 0.000 1.239 501 P CA -1.276 62.035 63.100 0.350 0.000 0.789 501 P CB 0.461 32.287 31.700 0.211 0.000 0.933 502 P HA 0.004 nan 4.420 nan 0.000 0.268 502 P C -0.860 176.417 177.300 -0.038 0.000 1.205 502 P CA 0.066 62.974 63.100 -0.320 0.000 0.771 502 P CB 0.105 31.586 31.700 -0.366 0.000 0.858 503 Y N 3.340 123.575 120.300 -0.110 0.000 2.480 503 Y HA 0.295 4.862 4.550 0.028 0.000 0.341 503 Y C 0.407 176.293 175.900 -0.022 0.000 1.031 503 Y CA 0.508 58.613 58.100 0.008 0.000 1.295 503 Y CB 0.126 38.616 38.460 0.050 0.000 1.162 503 Y HN 0.351 nan 8.280 nan 0.000 0.523 504 T N 0.460 114.752 114.554 -0.437 0.000 2.907 504 T HA 0.225 4.592 4.350 0.029 0.000 0.292 504 T C 0.962 175.392 174.700 -0.452 0.000 1.043 504 T CA -0.182 61.742 62.100 -0.294 0.000 1.003 504 T CB 1.442 70.216 68.868 -0.157 0.000 1.084 504 T HN 0.659 nan 8.240 nan 0.000 0.483 505 T N -0.259 114.163 114.554 -0.221 0.000 2.915 505 T HA 0.024 4.391 4.350 0.029 0.000 0.269 505 T C 2.192 176.821 174.700 -0.118 0.000 1.071 505 T CA 0.959 62.972 62.100 -0.144 0.000 1.132 505 T CB -0.747 68.113 68.868 -0.013 0.000 0.878 505 T HN 0.857 nan 8.240 nan 0.000 0.479 506 A N 2.084 124.842 122.820 -0.103 0.000 1.828 506 A HA 0.379 4.716 4.320 0.029 0.000 0.215 506 A C 2.800 180.337 177.584 -0.078 0.000 1.203 506 A CA 1.975 53.971 52.037 -0.067 0.000 0.614 506 A CB -1.446 17.524 19.000 -0.050 0.000 0.844 506 A HN 0.791 nan 8.150 nan 0.000 0.445 507 A N -2.725 120.031 122.820 -0.108 0.000 1.984 507 A HA 0.206 4.543 4.320 0.029 0.000 0.214 507 A C 1.090 178.609 177.584 -0.109 0.000 1.173 507 A CA 1.092 53.078 52.037 -0.086 0.000 0.673 507 A CB -0.275 18.685 19.000 -0.066 0.000 0.830 507 A HN 0.610 nan 8.150 nan 0.000 0.453 508 Q N -0.526 119.117 119.800 -0.261 0.000 2.487 508 Q HA -0.187 4.170 4.340 0.029 0.000 0.279 508 Q C -0.889 175.122 176.000 0.018 0.000 1.228 508 Q CA 0.688 56.295 55.803 -0.327 0.000 0.873 508 Q CB -1.772 26.941 28.738 -0.042 0.000 1.260 508 Q HN 0.889 nan 8.270 nan 0.000 0.471 509 Q N 0.421 120.227 119.800 0.010 0.000 2.314 509 Q HA 0.459 4.816 4.340 0.029 0.000 0.258 509 Q C -0.141 176.091 176.000 0.386 0.000 0.954 509 Q CA 0.174 56.047 55.803 0.116 0.000 0.890 509 Q CB 0.466 29.237 28.738 0.055 0.000 1.210 509 Q HN 0.342 nan 8.270 nan 0.000 0.410 510 Y N -1.565 118.883 120.300 0.248 0.000 2.705 510 Y HA 0.768 5.334 4.550 0.027 0.000 0.332 510 Y C -0.712 175.206 175.900 0.030 0.000 1.157 510 Y CA -1.508 56.732 58.100 0.233 0.000 1.091 510 Y CB 0.626 39.210 38.460 0.207 0.000 1.301 510 Y HN 0.387 nan 8.280 nan 0.000 0.488 511 V N -0.866 119.060 119.914 0.021 0.000 2.960 511 V HA 0.806 4.943 4.120 0.029 0.000 0.315 511 V C -0.329 175.760 176.094 -0.008 0.000 1.087 511 V CA -0.626 61.518 62.300 -0.259 0.000 0.982 511 V CB 1.356 32.692 31.823 -0.811 0.000 1.039 511 V HN 1.172 nan 8.190 nan 0.000 0.437 512 S N 3.127 118.802 115.700 -0.041 0.000 2.438 512 S HA 0.636 5.123 4.470 0.029 0.000 0.293 512 S C -0.465 174.120 174.600 -0.024 0.000 1.141 512 S CA -0.612 57.613 58.200 0.042 0.000 1.080 512 S CB 0.336 63.555 63.200 0.033 0.000 0.978 512 S HN 0.760 nan 8.310 nan 0.000 0.479 513 L N 4.891 126.132 121.223 0.029 0.000 2.268 513 L HA 0.455 4.813 4.340 0.029 0.000 0.289 513 L C 0.054 176.874 176.870 -0.083 0.000 1.064 513 L CA -0.323 54.557 54.840 0.067 0.000 0.824 513 L CB -0.398 41.761 42.059 0.165 0.000 1.202 513 L HN 0.943 nan 8.230 nan 0.000 0.433 514 N N 2.323 120.960 118.700 -0.104 0.000 3.517 514 N HA 0.262 5.019 4.740 0.029 0.000 0.329 514 N C 0.126 175.202 175.510 -0.722 0.000 1.569 514 N CA -0.888 51.812 53.050 -0.582 0.000 0.852 514 N CB 0.514 38.767 38.487 -0.390 0.000 1.955 514 N HN 0.148 nan 8.380 nan 0.000 0.555 515 L N -0.539 120.210 121.223 -0.791 0.000 2.109 515 L HA 0.141 4.498 4.340 0.029 0.000 0.207 515 L C 0.657 177.372 176.870 -0.258 0.000 1.086 515 L CA 0.872 55.346 54.840 -0.611 0.000 0.760 515 L CB -0.416 41.308 42.059 -0.559 0.000 0.910 515 L HN 0.374 nan 8.230 nan 0.000 0.437 516 K N 0.621 120.906 120.400 -0.191 0.000 2.319 516 K HA 0.156 4.493 4.320 0.029 0.000 0.265 516 K C -2.148 174.422 176.600 -0.050 0.000 1.000 516 K CA -1.693 54.537 56.287 -0.096 0.000 0.943 516 K CB -0.119 32.335 32.500 -0.078 0.000 0.950 516 K HN -0.150 nan 8.250 nan 0.000 0.485 517 P HA -0.021 nan 4.420 nan 0.000 0.270 517 P C -0.209 177.101 177.300 0.017 0.000 1.223 517 P CA -0.213 62.904 63.100 0.027 0.000 0.785 517 P CB 0.387 32.104 31.700 0.028 0.000 0.923 518 L N 1.134 122.382 121.223 0.041 0.000 2.653 518 L HA -0.100 4.257 4.340 0.029 0.000 0.288 518 L C 1.115 177.959 176.870 -0.044 0.000 1.243 518 L CA 0.923 55.749 54.840 -0.023 0.000 0.906 518 L CB -0.278 41.758 42.059 -0.038 0.000 1.154 518 L HN 0.518 nan 8.230 nan 0.000 0.498 519 E N 3.310 123.464 120.200 -0.077 0.000 2.199 519 E HA 0.397 4.765 4.350 0.029 0.000 0.265 519 E C -1.365 175.160 176.600 -0.125 0.000 0.882 519 E CA -0.823 55.533 56.400 -0.074 0.000 0.759 519 E CB 1.870 31.537 29.700 -0.055 0.000 1.148 519 E HN 0.301 nan 8.360 nan 0.000 0.412 520 V N 5.255 125.099 119.914 -0.116 0.000 2.432 520 V HA 0.374 4.512 4.120 0.029 0.000 0.271 520 V C 0.308 176.267 176.094 -0.225 0.000 1.046 520 V CA -0.229 61.972 62.300 -0.164 0.000 0.945 520 V CB 0.717 32.490 31.823 -0.083 0.000 0.992 520 V HN 0.679 nan 8.190 nan 0.000 0.471 521 R N 4.114 124.343 120.500 -0.452 0.000 2.832 521 R HA 0.740 5.097 4.340 0.029 0.000 0.271 521 R C -0.764 175.173 176.300 -0.605 0.000 0.996 521 R CA -1.009 54.779 56.100 -0.520 0.000 0.977 521 R CB 2.462 32.388 30.300 -0.623 0.000 1.168 521 R HN 0.598 nan 8.270 nan 0.000 0.482 522 R N 0.048 120.401 120.500 -0.245 0.000 2.494 522 R HA 0.496 4.853 4.340 0.029 0.000 0.305 522 R C -0.664 175.742 176.300 0.176 0.000 0.959 522 R CA -0.528 55.549 56.100 -0.038 0.000 0.864 522 R CB 2.164 32.459 30.300 -0.009 0.000 1.159 522 R HN 0.897 nan 8.270 nan 0.000 0.446 523 G N 2.395 111.406 108.800 0.352 0.000 3.292 523 G HA2 -0.209 3.768 3.960 0.029 0.000 0.636 523 G HA3 -0.209 3.768 3.960 0.029 0.000 0.636 523 G C -0.990 174.204 174.900 0.490 0.000 1.069 523 G CA -0.900 44.421 45.100 0.367 0.000 0.890 523 G HN 0.443 nan 8.290 nan 0.000 0.427 524 L N 4.000 125.436 121.223 0.354 0.000 2.375 524 L HA 0.541 4.898 4.340 0.029 0.000 0.276 524 L C 1.456 178.379 176.870 0.087 0.000 1.162 524 L CA -0.323 54.530 54.840 0.022 0.000 0.991 524 L CB -0.321 41.660 42.059 -0.130 0.000 1.315 524 L HN 0.673 nan 8.230 nan 0.000 0.431 525 R N 2.395 122.975 120.500 0.133 0.000 3.336 525 R HA -0.247 4.110 4.340 0.029 0.000 0.260 525 R C 1.201 177.615 176.300 0.190 0.000 1.032 525 R CA 0.709 56.909 56.100 0.167 0.000 0.693 525 R CB -2.207 28.197 30.300 0.172 0.000 1.134 525 R HN 0.741 nan 8.270 nan 0.000 0.433 526 A N 0.676 123.607 122.820 0.184 0.000 1.883 526 A HA -0.237 4.100 4.320 0.029 0.000 0.217 526 A C 2.064 179.748 177.584 0.167 0.000 1.186 526 A CA 1.293 53.435 52.037 0.175 0.000 0.624 526 A CB -0.089 19.007 19.000 0.159 0.000 0.822 526 A HN 0.435 nan 8.150 nan 0.000 0.444 527 Q N -0.753 119.142 119.800 0.158 0.000 2.049 527 Q HA -0.091 4.267 4.340 0.029 0.000 0.198 527 Q C 2.220 178.337 176.000 0.196 0.000 0.971 527 Q CA 1.950 57.844 55.803 0.153 0.000 0.833 527 Q CB -1.228 27.586 28.738 0.126 0.000 0.896 527 Q HN 0.631 nan 8.270 nan 0.000 0.434 528 T N 0.852 115.548 114.554 0.237 0.000 2.788 528 T HA -0.122 4.245 4.350 0.029 0.000 0.268 528 T C 2.029 176.952 174.700 0.372 0.000 1.044 528 T CA 1.205 63.469 62.100 0.274 0.000 1.139 528 T CB -0.243 68.852 68.868 0.378 0.000 0.867 528 T HN 0.316 nan 8.240 nan 0.000 0.454 529 c N 1.405 120.217 118.600 0.353 0.000 2.464 529 c HA 0.299 4.886 4.570 0.029 0.000 0.278 529 c C 3.121 177.381 174.090 0.284 0.000 1.375 529 c CA -0.082 56.470 56.329 0.373 0.000 1.761 529 c CB -1.342 41.328 42.510 0.266 0.000 1.944 529 c HN 0.640 nan 8.230 nan 0.000 0.509 530 A N 0.260 123.211 122.820 0.217 0.000 1.933 530 A HA -0.198 4.139 4.320 0.029 0.000 0.218 530 A C 1.866 179.546 177.584 0.160 0.000 1.175 530 A CA 1.587 53.725 52.037 0.168 0.000 0.628 530 A CB -0.782 18.301 19.000 0.138 0.000 0.814 530 A HN 0.544 nan 8.150 nan 0.000 0.444 531 F N -0.875 119.053 119.950 -0.036 0.000 2.102 531 F HA -0.173 4.373 4.527 0.032 0.000 0.298 531 F C 1.931 177.649 175.800 -0.137 0.000 1.105 531 F CA 1.685 59.570 58.000 -0.192 0.000 1.239 531 F CB -0.550 38.073 39.000 -0.628 0.000 0.991 531 F HN 0.385 nan 8.300 nan 0.000 0.474 532 W N 0.406 121.685 121.300 -0.036 0.000 2.418 532 W HA -0.109 4.567 4.660 0.027 0.000 0.292 532 W C 2.106 178.581 176.519 -0.074 0.000 1.213 532 W CA 0.938 58.224 57.345 -0.099 0.000 1.283 532 W CB -0.406 29.122 29.460 0.115 0.000 1.119 532 W HN -0.035 nan 8.180 nan 0.000 0.542 533 N N -0.505 118.322 118.700 0.212 0.000 2.409 533 N HA 0.038 4.796 4.740 0.029 0.000 0.174 533 N C 1.450 177.005 175.510 0.075 0.000 1.037 533 N CA 0.871 54.005 53.050 0.140 0.000 0.898 533 N CB -0.188 38.386 38.487 0.145 0.000 1.010 533 N HN 0.161 nan 8.380 nan 0.000 0.445 534 R N -1.296 119.246 120.500 0.070 0.000 2.164 534 R HA 0.258 4.615 4.340 0.029 0.000 0.198 534 R C 1.344 177.689 176.300 0.076 0.000 1.028 534 R CA 0.104 56.247 56.100 0.072 0.000 1.083 534 R CB -0.155 30.204 30.300 0.099 0.000 1.026 534 R HN 0.032 nan 8.270 nan 0.000 0.514 535 F N 0.976 120.836 119.950 -0.151 0.000 2.164 535 F HA 0.091 4.636 4.527 0.029 0.000 0.287 535 F C 1.814 177.459 175.800 -0.258 0.000 1.086 535 F CA 0.700 58.588 58.000 -0.186 0.000 1.249 535 F CB -0.460 38.430 39.000 -0.183 0.000 1.059 535 F HN -0.151 nan 8.300 nan 0.000 0.490 536 L N 1.004 121.916 121.223 -0.517 0.000 2.043 536 L HA -0.149 4.208 4.340 0.029 0.000 0.212 536 L C -0.831 175.827 176.870 -0.354 0.000 1.075 536 L CA 2.075 56.568 54.840 -0.578 0.000 0.752 536 L CB -1.659 40.023 42.059 -0.629 0.000 0.891 536 L HN 0.035 nan 8.230 nan 0.000 0.432 537 P HA -0.251 nan 4.420 nan 0.000 0.215 537 P C 1.417 178.613 177.300 -0.175 0.000 1.163 537 P CA 1.781 64.800 63.100 -0.135 0.000 0.894 537 P CB -0.050 31.607 31.700 -0.071 0.000 0.791 538 K N -1.151 119.120 120.400 -0.216 0.000 2.152 538 K HA -0.120 4.217 4.320 0.029 0.000 0.206 538 K C 1.577 178.013 176.600 -0.273 0.000 1.048 538 K CA 0.781 56.944 56.287 -0.207 0.000 0.933 538 K CB -0.798 31.597 32.500 -0.175 0.000 0.721 538 K HN 0.033 nan 8.250 nan 0.000 0.447 539 L N 1.390 122.349 121.223 -0.439 0.000 2.786 539 L HA 0.081 4.438 4.340 0.029 0.000 0.250 539 L C -0.058 176.677 176.870 -0.226 0.000 1.151 539 L CA 1.094 55.692 54.840 -0.404 0.000 0.910 539 L CB -0.718 40.988 42.059 -0.588 0.000 1.082 539 L HN 0.032 nan 8.230 nan 0.000 0.433 540 L N 0.000 121.119 121.223 -0.174 0.000 2.949 540 L HA 0.000 4.357 4.340 0.029 0.000 0.249 540 L CA 0.000 54.772 54.840 -0.114 0.000 0.813 540 L CB 0.000 41.997 42.059 -0.104 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502