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 2jgk_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.615 176.600 0.024 0.000 1.382 1 E CA 0.000 56.418 56.400 0.030 0.000 0.976 1 E CB 0.000 29.718 29.700 0.029 0.000 0.812 2 G N 1.240 110.053 108.800 0.020 0.000 3.879 2 G HA2 -0.417 3.549 3.960 0.009 0.000 0.318 2 G HA3 -0.417 3.549 3.960 0.009 0.000 0.318 2 G C 0.948 175.859 174.900 0.018 0.000 1.344 2 G CA 1.204 46.314 45.100 0.017 0.000 1.024 2 G HN 0.167 nan 8.290 nan 0.000 0.681 3 R N 1.563 122.074 120.500 0.018 0.000 2.119 3 R HA 0.326 4.672 4.340 0.009 0.000 0.222 3 R C 1.254 177.568 176.300 0.023 0.000 1.088 3 R CA 0.937 57.047 56.100 0.018 0.000 0.984 3 R CB -0.294 30.015 30.300 0.014 0.000 0.884 3 R HN 0.696 nan 8.270 nan 0.000 0.447 4 E N 1.387 121.603 120.200 0.027 0.000 2.565 4 E HA -0.145 4.210 4.350 0.009 0.000 0.268 4 E C -0.432 176.193 176.600 0.043 0.000 1.000 4 E CA 0.279 56.699 56.400 0.034 0.000 0.964 4 E CB 0.243 29.968 29.700 0.041 0.000 0.955 4 E HN 0.063 nan 8.360 nan 0.000 0.459 5 D N 4.012 124.443 120.400 0.052 0.000 2.412 5 D HA -0.039 4.606 4.640 0.009 0.000 0.257 5 D C -1.543 174.803 176.300 0.077 0.000 1.217 5 D CA -1.576 52.469 54.000 0.076 0.000 0.897 5 D CB 0.862 41.725 40.800 0.105 0.000 1.132 5 D HN 0.166 nan 8.370 nan 0.000 0.493 6 P HA -0.170 nan 4.420 nan 0.000 0.222 6 P C 1.054 178.380 177.300 0.044 0.000 1.147 6 P CA 0.726 63.852 63.100 0.043 0.000 0.790 6 P CB 0.404 32.117 31.700 0.022 0.000 0.780 7 Q N -0.350 119.471 119.800 0.035 0.000 2.515 7 Q HA 0.047 4.393 4.340 0.009 0.000 0.212 7 Q C 1.536 177.609 176.000 0.121 0.000 0.970 7 Q CA 0.823 56.618 55.803 -0.014 0.000 0.941 7 Q CB -0.774 27.813 28.738 -0.253 0.000 0.998 7 Q HN 0.272 nan 8.270 nan 0.000 0.518 8 L N -0.517 120.808 121.223 0.170 0.000 3.016 8 L HA 0.322 4.668 4.340 0.009 0.000 0.267 8 L C -0.593 176.477 176.870 0.332 0.000 1.182 8 L CA -0.192 54.784 54.840 0.228 0.000 0.997 8 L CB 0.616 42.733 42.059 0.098 0.000 1.354 8 L HN 0.021 nan 8.230 nan 0.000 0.569 9 L N 0.914 122.278 121.223 0.235 0.000 2.280 9 L HA 0.535 4.881 4.340 0.009 0.000 0.287 9 L C -0.672 176.257 176.870 0.099 0.000 1.023 9 L CA -0.486 54.467 54.840 0.187 0.000 0.819 9 L CB 1.718 43.840 42.059 0.106 0.000 1.212 9 L HN -0.228 nan 8.230 nan 0.000 0.420 10 V N 3.160 123.096 119.914 0.036 0.000 2.823 10 V HA 0.536 4.662 4.120 0.009 0.000 0.312 10 V C -0.272 175.728 176.094 -0.157 0.000 1.072 10 V CA -0.797 61.361 62.300 -0.237 0.000 0.937 10 V CB 2.594 33.962 31.823 -0.758 0.000 1.013 10 V HN 0.730 nan 8.190 nan 0.000 0.430 11 R N 2.170 122.549 120.500 -0.203 0.000 2.514 11 R HA 0.837 5.182 4.340 0.009 0.000 0.301 11 R C -1.067 175.130 176.300 -0.171 0.000 0.962 11 R CA -0.350 55.678 56.100 -0.121 0.000 0.882 11 R CB 1.905 32.140 30.300 -0.107 0.000 1.143 11 R HN 0.703 nan 8.270 nan 0.000 0.452 12 V N 1.539 121.418 119.914 -0.059 0.000 3.126 12 V HA 0.490 4.615 4.120 0.009 0.000 0.314 12 V C 1.036 177.068 176.094 -0.104 0.000 1.138 12 V CA -1.090 61.179 62.300 -0.052 0.000 1.034 12 V CB 1.664 33.613 31.823 0.209 0.000 1.075 12 V HN 0.863 nan 8.190 nan 0.000 0.442 13 R N 1.623 122.051 120.500 -0.120 0.000 2.185 13 R HA -0.067 4.278 4.340 0.009 0.000 0.247 13 R C 1.695 177.885 176.300 -0.182 0.000 1.159 13 R CA 2.436 58.460 56.100 -0.127 0.000 0.988 13 R CB -1.069 29.172 30.300 -0.098 0.000 0.871 13 R HN 1.067 nan 8.270 nan 0.000 0.458 14 G N -2.187 106.468 108.800 -0.241 0.000 2.838 14 G HA2 0.414 4.379 3.960 0.009 0.000 0.210 14 G HA3 0.414 4.379 3.960 0.009 0.000 0.210 14 G C 0.408 174.418 174.900 -1.483 0.000 1.153 14 G CA 0.302 45.021 45.100 -0.634 0.000 0.778 14 G HN 0.729 nan 8.290 nan 0.000 0.539 15 G N -0.886 107.294 108.800 -1.034 0.000 2.278 15 G HA2 0.092 4.058 3.960 0.009 0.000 0.265 15 G HA3 0.092 4.058 3.960 0.009 0.000 0.265 15 G C -1.290 173.511 174.900 -0.165 0.000 1.329 15 G CA -0.898 43.672 45.100 -0.883 0.000 1.017 15 G HN 0.308 nan 8.290 nan 0.000 0.472 16 Q N -0.360 119.546 119.800 0.177 0.000 2.230 16 Q HA 0.726 5.071 4.340 0.009 0.000 0.253 16 Q C -0.567 175.738 176.000 0.510 0.000 0.919 16 Q CA -0.377 55.609 55.803 0.305 0.000 0.908 16 Q CB 1.832 30.689 28.738 0.200 0.000 1.245 16 Q HN 0.460 nan 8.270 nan 0.000 0.437 17 L N 1.740 123.171 121.223 0.346 0.000 2.381 17 L HA 0.610 4.955 4.340 0.009 0.000 0.268 17 L C -0.513 176.550 176.870 0.321 0.000 0.997 17 L CA -0.755 54.289 54.840 0.340 0.000 0.818 17 L CB 2.067 44.355 42.059 0.382 0.000 1.310 17 L HN 0.427 nan 8.230 nan 0.000 0.416 18 R N 1.072 121.732 120.500 0.266 0.000 2.343 18 R HA 0.646 4.991 4.340 0.009 0.000 0.320 18 R C -0.124 176.280 176.300 0.174 0.000 0.956 18 R CA -0.293 55.942 56.100 0.224 0.000 0.836 18 R CB 1.545 31.913 30.300 0.114 0.000 1.151 18 R HN 0.830 nan 8.270 nan 0.000 0.450 19 G N 3.235 112.086 108.800 0.085 0.000 2.583 19 G HA2 0.478 4.443 3.960 0.009 0.000 0.280 19 G HA3 0.478 4.443 3.960 0.009 0.000 0.280 19 G C -1.020 173.677 174.900 -0.337 0.000 1.376 19 G CA -0.679 44.145 45.100 -0.460 0.000 1.043 19 G HN 0.589 nan 8.290 nan 0.000 0.538 20 I N -0.760 119.551 120.570 -0.431 0.000 2.569 20 I HA 0.439 4.614 4.170 0.009 0.000 0.290 20 I C -0.112 175.867 176.117 -0.229 0.000 1.088 20 I CA -1.018 60.127 61.300 -0.258 0.000 1.047 20 I CB 1.989 39.851 38.000 -0.229 0.000 1.237 20 I HN 0.404 nan 8.210 nan 0.000 0.421 21 R N 8.358 128.755 120.500 -0.173 0.000 2.248 21 R HA 0.430 4.776 4.340 0.009 0.000 0.337 21 R C -1.645 174.528 176.300 -0.211 0.000 1.085 21 R CA -0.315 55.645 56.100 -0.233 0.000 0.934 21 R CB 0.248 30.340 30.300 -0.348 0.000 1.034 21 R HN 0.661 nan 8.270 nan 0.000 0.465 22 L N 3.579 124.700 121.223 -0.169 0.000 2.343 22 L HA 0.357 4.703 4.340 0.009 0.000 0.275 22 L C 0.070 176.858 176.870 -0.138 0.000 1.056 22 L CA -0.970 53.796 54.840 -0.123 0.000 0.804 22 L CB 1.383 43.408 42.059 -0.056 0.000 1.203 22 L HN 0.413 nan 8.230 nan 0.000 0.440 23 K N 2.327 122.656 120.400 -0.119 0.000 2.258 23 K HA 0.624 4.950 4.320 0.009 0.000 0.284 23 K C -0.827 175.705 176.600 -0.113 0.000 1.051 23 K CA -0.080 56.142 56.287 -0.109 0.000 0.923 23 K CB 1.330 33.779 32.500 -0.083 0.000 1.046 23 K HN 0.621 nan 8.250 nan 0.000 0.474 24 A N 5.693 128.449 122.820 -0.107 0.000 2.384 24 A HA 0.589 4.914 4.320 0.009 0.000 0.312 24 A C -2.004 175.568 177.584 -0.020 0.000 1.113 24 A CA -1.846 50.119 52.037 -0.120 0.000 0.779 24 A CB 0.890 19.787 19.000 -0.172 0.000 1.307 24 A HN 0.659 nan 8.150 nan 0.000 0.436 25 P HA -0.195 nan 4.420 nan 0.000 0.216 25 P C 1.243 178.568 177.300 0.041 0.000 1.167 25 P CA 2.527 65.674 63.100 0.078 0.000 0.933 25 P CB 0.162 31.946 31.700 0.141 0.000 0.793 26 G N -2.282 106.544 108.800 0.043 0.000 3.371 26 G HA2 0.479 4.445 3.960 0.009 0.000 0.248 26 G HA3 0.479 4.445 3.960 0.009 0.000 0.248 26 G C 0.393 175.305 174.900 0.020 0.000 1.161 26 G CA 0.394 45.511 45.100 0.029 0.000 0.796 26 G HN 0.656 nan 8.290 nan 0.000 0.539 27 G N -0.376 108.428 108.800 0.006 0.000 2.369 27 G HA2 0.351 4.316 3.960 0.009 0.000 0.293 27 G HA3 0.351 4.316 3.960 0.009 0.000 0.293 27 G C -3.523 171.359 174.900 -0.031 0.000 1.301 27 G CA -0.759 44.340 45.100 -0.002 0.000 0.913 27 G HN 0.081 nan 8.290 nan 0.000 0.540 28 P HA 0.641 nan 4.420 nan 0.000 0.285 28 P C -0.185 177.097 177.300 -0.030 0.000 1.269 28 P CA -0.654 62.366 63.100 -0.133 0.000 0.844 28 P CB 1.818 33.311 31.700 -0.345 0.000 1.094 29 V N -1.963 117.925 119.914 -0.044 0.000 3.102 29 V HA 0.723 4.848 4.120 0.009 0.000 0.312 29 V C -0.445 175.719 176.094 0.116 0.000 1.135 29 V CA -0.882 61.478 62.300 0.101 0.000 1.022 29 V CB 1.783 33.668 31.823 0.103 0.000 1.056 29 V HN 0.399 nan 8.190 nan 0.000 0.436 30 S N 1.481 117.316 115.700 0.224 0.000 2.480 30 S HA 0.851 5.327 4.470 0.009 0.000 0.286 30 S C -0.023 174.556 174.600 -0.033 0.000 1.180 30 S CA 0.016 58.284 58.200 0.114 0.000 1.075 30 S CB 1.218 64.564 63.200 0.243 0.000 0.996 30 S HN 1.538 nan 8.310 nan 0.000 0.487 31 A N 2.898 125.525 122.820 -0.321 0.000 2.343 31 A HA 0.777 5.102 4.320 0.009 0.000 0.308 31 A C -1.186 175.969 177.584 -0.715 0.000 1.092 31 A CA -0.615 51.121 52.037 -0.503 0.000 0.751 31 A CB 0.375 19.064 19.000 -0.518 0.000 1.203 31 A HN 0.686 nan 8.150 nan 0.000 0.452 32 F N 2.938 122.723 119.950 -0.275 0.000 2.325 32 F HA 0.500 5.033 4.527 0.009 0.000 0.369 32 F C -0.113 175.486 175.800 -0.336 0.000 1.095 32 F CA -0.313 57.582 58.000 -0.174 0.000 1.082 32 F CB 1.243 40.270 39.000 0.045 0.000 1.289 32 F HN 0.341 nan 8.300 nan 0.000 0.462 33 L N 2.250 123.313 121.223 -0.267 0.000 2.334 33 L HA 0.696 5.041 4.340 0.009 0.000 0.276 33 L C 0.889 177.629 176.870 -0.216 0.000 1.014 33 L CA -0.997 53.606 54.840 -0.394 0.000 0.815 33 L CB 1.773 43.392 42.059 -0.734 0.000 1.268 33 L HN 0.826 nan 8.230 nan 0.000 0.428 34 G N 2.898 111.627 108.800 -0.118 0.000 2.198 34 G HA2 -0.262 3.704 3.960 0.009 0.000 0.257 34 G HA3 -0.262 3.704 3.960 0.009 0.000 0.257 34 G C -0.003 174.905 174.900 0.013 0.000 1.042 34 G CA -0.320 44.729 45.100 -0.086 0.000 0.791 34 G HN 0.493 nan 8.290 nan 0.000 0.502 35 I N 2.367 122.952 120.570 0.024 0.000 2.587 35 I HA 0.189 4.364 4.170 0.009 0.000 0.284 35 I C -1.214 174.960 176.117 0.095 0.000 1.134 35 I CA -1.677 59.629 61.300 0.010 0.000 1.410 35 I CB 0.670 38.613 38.000 -0.095 0.000 1.392 35 I HN 0.001 nan 8.210 nan 0.000 0.545 36 P HA 0.052 nan 4.420 nan 0.000 0.276 36 P C -0.277 176.985 177.300 -0.064 0.000 1.230 36 P CA 0.011 63.038 63.100 -0.123 0.000 0.776 36 P CB 0.628 32.228 31.700 -0.167 0.000 0.888 37 F N 0.569 120.349 119.950 -0.283 0.000 2.746 37 F HA 0.738 5.271 4.527 0.009 0.000 0.320 37 F C -0.040 175.733 175.800 -0.045 0.000 1.097 37 F CA -0.629 57.259 58.000 -0.187 0.000 1.195 37 F CB 0.333 39.134 39.000 -0.332 0.000 1.056 37 F HN 0.354 nan 8.300 nan 0.000 0.562 38 A N 0.215 122.736 122.820 -0.500 0.000 2.594 38 A HA 0.546 4.871 4.320 0.009 0.000 0.295 38 A C -0.986 176.416 177.584 -0.304 0.000 1.071 38 A CA -0.757 51.062 52.037 -0.363 0.000 0.685 38 A CB 1.016 19.703 19.000 -0.523 0.000 1.285 38 A HN 0.063 nan 8.150 nan 0.000 0.405 39 E N 1.486 121.589 120.200 -0.162 0.000 2.414 39 E HA 0.228 4.584 4.350 0.009 0.000 0.263 39 E C -2.292 174.202 176.600 -0.175 0.000 1.000 39 E CA -1.218 55.108 56.400 -0.124 0.000 0.914 39 E CB 0.122 29.788 29.700 -0.056 0.000 0.948 39 E HN 0.254 nan 8.360 nan 0.000 0.444 40 P HA 0.001 nan 4.420 nan 0.000 0.261 40 P C -2.202 175.018 177.300 -0.134 0.000 1.183 40 P CA -0.837 62.160 63.100 -0.173 0.000 0.761 40 P CB -0.070 31.566 31.700 -0.107 0.000 0.785 41 P HA -0.013 nan 4.420 nan 0.000 0.238 41 P C -0.046 177.185 177.300 -0.115 0.000 1.714 41 P CA 0.170 63.198 63.100 -0.119 0.000 0.908 41 P CB -0.270 31.358 31.700 -0.120 0.000 1.893 42 V N -3.371 116.484 119.914 -0.098 0.000 3.211 42 V HA 0.876 5.002 4.120 0.009 0.000 0.319 42 V C 1.068 177.114 176.094 -0.079 0.000 1.096 42 V CA 0.156 62.400 62.300 -0.094 0.000 1.029 42 V CB 0.565 32.343 31.823 -0.074 0.000 1.137 42 V HN 0.507 nan 8.190 nan 0.000 0.453 43 G N 2.133 110.887 108.800 -0.075 0.000 2.622 43 G HA2 -0.350 3.615 3.960 0.009 0.000 0.307 43 G HA3 -0.350 3.615 3.960 0.009 0.000 0.307 43 G C 1.217 176.086 174.900 -0.053 0.000 1.226 43 G CA 1.792 46.861 45.100 -0.053 0.000 0.997 43 G HN 2.361 nan 8.290 nan 0.000 0.551 44 S N 0.472 116.155 115.700 -0.029 0.000 2.500 44 S HA -0.042 4.433 4.470 0.009 0.000 0.239 44 S C 1.915 176.504 174.600 -0.018 0.000 0.989 44 S CA 1.717 59.909 58.200 -0.013 0.000 0.951 44 S CB -0.157 63.042 63.200 -0.001 0.000 0.759 44 S HN 0.708 nan 8.310 nan 0.000 0.523 45 R N 0.837 121.311 120.500 -0.043 0.000 2.297 45 R HA 0.203 4.548 4.340 0.009 0.000 0.197 45 R C 0.966 177.219 176.300 -0.079 0.000 0.943 45 R CA -0.137 55.936 56.100 -0.046 0.000 1.038 45 R CB -0.097 30.172 30.300 -0.052 0.000 0.957 45 R HN 0.421 nan 8.270 nan 0.000 0.484 46 R N 0.861 121.269 120.500 -0.153 0.000 2.522 46 R HA -0.114 4.231 4.340 0.009 0.000 0.284 46 R C -0.351 175.755 176.300 -0.324 0.000 1.032 46 R CA 0.556 56.438 56.100 -0.364 0.000 1.049 46 R CB 0.136 30.085 30.300 -0.585 0.000 0.956 46 R HN 0.092 nan 8.270 nan 0.000 0.422 47 F N -0.673 119.276 119.950 -0.002 0.000 2.619 47 F HA -0.293 4.240 4.527 0.009 0.000 0.425 47 F C 0.070 175.847 175.800 -0.039 0.000 0.575 47 F CA 0.621 58.595 58.000 -0.044 0.000 1.289 47 F CB -1.503 37.458 39.000 -0.065 0.000 1.859 47 F HN 0.468 nan 8.300 nan 0.000 0.280 48 M N 0.900 120.557 119.600 0.095 0.000 2.478 48 M HA 0.421 4.906 4.480 0.009 0.000 0.327 48 M C -1.969 174.349 176.300 0.030 0.000 1.187 48 M CA -1.431 53.906 55.300 0.061 0.000 1.022 48 M CB 0.971 33.597 32.600 0.043 0.000 1.629 48 M HN -0.371 nan 8.290 nan 0.000 0.461 49 P HA 0.062 nan 4.420 nan 0.000 0.267 49 P C -2.469 174.845 177.300 0.024 0.000 1.201 49 P CA -0.402 62.721 63.100 0.039 0.000 0.775 49 P CB -0.447 31.287 31.700 0.057 0.000 0.854 50 P HA 0.256 nan 4.420 nan 0.000 0.284 50 P C -0.754 176.555 177.300 0.015 0.000 1.253 50 P CA -0.129 62.968 63.100 -0.003 0.000 0.800 50 P CB 0.913 32.612 31.700 -0.001 0.000 0.961 51 E N 3.191 123.385 120.200 -0.010 0.000 2.204 51 E HA 0.364 4.720 4.350 0.009 0.000 0.276 51 E C -2.218 174.390 176.600 0.013 0.000 0.974 51 E CA -2.282 54.125 56.400 0.012 0.000 0.815 51 E CB 0.495 30.199 29.700 0.006 0.000 1.119 51 E HN 0.351 nan 8.360 nan 0.000 0.393 52 P HA -0.088 nan 4.420 nan 0.000 0.266 52 P C -0.785 176.562 177.300 0.079 0.000 1.193 52 P CA -0.080 63.078 63.100 0.098 0.000 0.770 52 P CB 0.422 32.194 31.700 0.120 0.000 0.836 53 K N 3.464 123.935 120.400 0.118 0.000 2.378 53 K HA 0.084 4.409 4.320 0.009 0.000 0.288 53 K C -0.080 176.620 176.600 0.166 0.000 1.057 53 K CA 0.208 56.569 56.287 0.125 0.000 0.971 53 K CB -0.145 32.466 32.500 0.184 0.000 0.975 53 K HN 0.218 nan 8.250 nan 0.000 0.475 54 R N 5.385 125.959 120.500 0.123 0.000 2.522 54 R HA 0.098 4.443 4.340 0.009 0.000 0.284 54 R C -1.991 174.402 176.300 0.154 0.000 1.032 54 R CA -1.362 54.802 56.100 0.107 0.000 1.049 54 R CB 0.106 30.451 30.300 0.075 0.000 0.956 54 R HN 0.560 nan 8.270 nan 0.000 0.422 55 P HA -0.127 nan 4.420 nan 0.000 0.264 55 P C -1.101 176.225 177.300 0.045 0.000 1.179 55 P CA 0.288 63.340 63.100 -0.082 0.000 0.763 55 P CB 0.291 31.894 31.700 -0.162 0.000 0.806 56 W N 1.685 123.018 121.300 0.055 0.000 2.578 56 W HA 0.705 5.370 4.660 0.009 0.000 0.364 56 W C -0.706 175.838 176.519 0.042 0.000 1.144 56 W CA -0.836 56.538 57.345 0.049 0.000 1.242 56 W CB 0.069 29.565 29.460 0.060 0.000 1.382 56 W HN 0.367 nan 8.180 nan 0.000 0.625 57 S N 0.752 116.621 115.700 0.282 0.000 2.607 57 S HA 0.884 5.359 4.470 0.009 0.000 0.303 57 S C 0.223 174.980 174.600 0.261 0.000 1.086 57 S CA -0.229 58.070 58.200 0.165 0.000 0.995 57 S CB 1.077 64.325 63.200 0.080 0.000 1.084 57 S HN 2.107 nan 8.310 nan 0.000 0.507 58 G N -0.096 108.809 108.800 0.175 0.000 2.693 58 G HA2 -0.103 3.863 3.960 0.009 0.000 0.226 58 G HA3 -0.103 3.863 3.960 0.009 0.000 0.226 58 G C -0.877 174.179 174.900 0.261 0.000 1.354 58 G CA -0.384 44.819 45.100 0.173 0.000 0.873 58 G HN 1.539 nan 8.290 nan 0.000 0.562 59 V N 1.006 121.040 119.914 0.201 0.000 2.350 59 V HA 0.498 4.623 4.120 0.009 0.000 0.276 59 V C 0.585 176.778 176.094 0.165 0.000 1.028 59 V CA -0.424 62.005 62.300 0.215 0.000 0.860 59 V CB 1.132 33.039 31.823 0.141 0.000 0.990 59 V HN 0.875 nan 8.190 nan 0.000 0.453 60 L N 5.570 126.897 121.223 0.173 0.000 2.367 60 L HA 0.315 4.660 4.340 0.009 0.000 0.275 60 L C 0.392 177.252 176.870 -0.016 0.000 1.129 60 L CA 0.415 55.209 54.840 -0.077 0.000 0.839 60 L CB 0.798 42.573 42.059 -0.473 0.000 1.133 60 L HN 0.681 nan 8.230 nan 0.000 0.453 61 D N 4.710 125.078 120.400 -0.053 0.000 2.339 61 D HA 0.241 4.887 4.640 0.009 0.000 0.256 61 D C -0.702 175.558 176.300 -0.067 0.000 1.214 61 D CA 0.017 53.994 54.000 -0.039 0.000 0.877 61 D CB 1.238 42.007 40.800 -0.053 0.000 1.111 61 D HN 0.720 nan 8.370 nan 0.000 0.478 62 A N 3.242 126.047 122.820 -0.024 0.000 3.201 62 A HA 0.251 4.576 4.320 0.009 0.000 0.312 62 A C 0.802 178.306 177.584 -0.134 0.000 1.011 62 A CA -0.491 51.520 52.037 -0.044 0.000 0.987 62 A CB -0.073 18.995 19.000 0.113 0.000 1.060 62 A HN 0.551 nan 8.150 nan 0.000 0.505 63 T N -3.258 111.192 114.554 -0.172 0.000 3.040 63 T HA 0.300 4.655 4.350 0.009 0.000 0.266 63 T C 0.592 175.136 174.700 -0.261 0.000 1.005 63 T CA 0.662 62.631 62.100 -0.219 0.000 0.906 63 T CB -0.172 68.603 68.868 -0.156 0.000 1.082 63 T HN 0.754 nan 8.240 nan 0.000 0.531 64 T N -0.520 113.873 114.554 -0.269 0.000 2.903 64 T HA 0.715 5.070 4.350 0.009 0.000 0.299 64 T C -0.859 173.662 174.700 -0.299 0.000 1.093 64 T CA -0.861 61.077 62.100 -0.270 0.000 1.002 64 T CB 1.126 69.905 68.868 -0.148 0.000 1.127 64 T HN -0.004 nan 8.240 nan 0.000 0.488 65 F N 2.038 121.917 119.950 -0.118 0.000 2.518 65 F HA 0.354 4.886 4.527 0.009 0.000 0.359 65 F C 1.461 177.153 175.800 -0.180 0.000 1.118 65 F CA -0.184 57.745 58.000 -0.119 0.000 1.287 65 F CB 0.557 39.521 39.000 -0.061 0.000 1.132 65 F HN 0.475 nan 8.300 nan 0.000 0.587 66 Q N 1.271 121.048 119.800 -0.038 0.000 2.189 66 Q HA 0.183 4.528 4.340 0.009 0.000 0.193 66 Q C -0.107 175.810 176.000 -0.139 0.000 1.034 66 Q CA -0.661 54.970 55.803 -0.288 0.000 1.062 66 Q CB 0.416 28.626 28.738 -0.880 0.000 1.118 66 Q HN 0.509 nan 8.270 nan 0.000 0.569 67 N N -0.437 118.159 118.700 -0.175 0.000 2.283 67 N HA -0.019 4.726 4.740 0.009 0.000 0.236 67 N C -0.683 174.815 175.510 -0.021 0.000 1.252 67 N CA 0.239 53.244 53.050 -0.075 0.000 0.856 67 N CB 0.284 38.749 38.487 -0.037 0.000 1.099 67 N HN 0.149 nan 8.380 nan 0.000 0.444 68 V N 1.540 121.417 119.914 -0.061 0.000 2.483 68 V HA 0.203 4.329 4.120 0.009 0.000 0.295 68 V C 0.407 176.451 176.094 -0.083 0.000 1.035 68 V CA -0.940 61.318 62.300 -0.071 0.000 0.896 68 V CB 1.451 33.197 31.823 -0.128 0.000 0.986 68 V HN 0.729 nan 8.190 nan 0.000 0.447 69 c N 3.621 122.194 118.600 -0.045 0.000 2.634 69 c HA 0.085 4.661 4.570 0.009 0.000 0.417 69 c C 0.519 174.561 174.090 -0.080 0.000 1.334 69 c CA -0.496 55.804 56.329 -0.049 0.000 1.829 69 c CB -1.017 41.495 42.510 0.003 0.000 2.665 69 c HN 0.750 nan 8.230 nan 0.000 0.614 70 Y N 3.715 123.875 120.300 -0.233 0.000 2.650 70 Y HA 0.202 4.757 4.550 0.009 0.000 0.331 70 Y C 0.944 176.861 175.900 0.028 0.000 1.165 70 Y CA 0.910 58.880 58.100 -0.218 0.000 1.473 70 Y CB 0.063 38.169 38.460 -0.590 0.000 1.224 70 Y HN 0.716 nan 8.280 nan 0.000 0.533 71 Q N 3.979 123.881 119.800 0.170 0.000 2.565 71 Q HA 0.258 4.603 4.340 0.009 0.000 0.294 71 Q C -1.708 174.505 176.000 0.355 0.000 1.005 71 Q CA -1.285 54.716 55.803 0.329 0.000 0.771 71 Q CB 1.558 30.437 28.738 0.234 0.000 1.486 71 Q HN 0.657 nan 8.270 nan 0.000 0.422 72 Y N 1.094 121.614 120.300 0.366 0.000 2.526 72 Y HA 0.344 4.899 4.550 0.009 0.000 0.330 72 Y C -0.958 175.102 175.900 0.268 0.000 1.156 72 Y CA -0.123 58.192 58.100 0.359 0.000 1.419 72 Y CB 0.874 39.669 38.460 0.558 0.000 1.250 72 Y HN 0.405 nan 8.280 nan 0.000 0.540 73 V N 6.811 126.392 119.914 -0.555 0.000 2.407 73 V HA 0.088 4.213 4.120 0.009 0.000 0.278 73 V C -0.292 175.305 176.094 -0.828 0.000 1.037 73 V CA -0.848 61.160 62.300 -0.485 0.000 0.900 73 V CB 1.244 32.922 31.823 -0.241 0.000 0.983 73 V HN 0.773 nan 8.190 nan 0.000 0.459 74 D N 3.487 123.667 120.400 -0.368 0.000 2.390 74 D HA 0.262 4.908 4.640 0.009 0.000 0.249 74 D C 0.879 177.163 176.300 -0.027 0.000 1.144 74 D CA 0.318 54.256 54.000 -0.103 0.000 0.880 74 D CB 1.227 42.165 40.800 0.229 0.000 1.182 74 D HN 0.736 nan 8.370 nan 0.000 0.451 75 T N 1.124 115.692 114.554 0.024 0.000 3.275 75 T HA 0.071 4.426 4.350 0.009 0.000 0.298 75 T C 1.514 176.221 174.700 0.012 0.000 0.988 75 T CA -0.434 61.680 62.100 0.024 0.000 0.936 75 T CB -0.242 68.626 68.868 -0.002 0.000 1.159 75 T HN 0.243 nan 8.240 nan 0.000 0.519 76 L N 0.639 121.861 121.223 -0.002 0.000 2.012 76 L HA 0.102 4.447 4.340 0.009 0.000 0.210 76 L C -0.124 176.461 176.870 -0.474 0.000 1.073 76 L CA 1.677 56.343 54.840 -0.289 0.000 0.748 76 L CB -0.182 41.615 42.059 -0.438 0.000 0.891 76 L HN 0.428 nan 8.230 nan 0.000 0.431 77 Y N -0.569 119.781 120.300 0.084 0.000 2.662 77 Y HA 0.375 4.930 4.550 0.009 0.000 0.358 77 Y C -2.137 173.817 175.900 0.091 0.000 1.041 77 Y CA -3.836 54.290 58.100 0.043 0.000 1.184 77 Y CB -0.463 37.984 38.460 -0.021 0.000 1.114 77 Y HN -0.001 nan 8.280 nan 0.000 0.650 78 P HA -0.055 nan 4.420 nan 0.000 0.261 78 P C 1.167 178.536 177.300 0.115 0.000 1.158 78 P CA 2.115 65.279 63.100 0.108 0.000 0.758 78 P CB 0.702 32.439 31.700 0.062 0.000 0.763 79 G N 2.288 111.139 108.800 0.085 0.000 2.234 79 G HA2 -0.311 3.654 3.960 0.009 0.000 0.260 79 G HA3 -0.311 3.654 3.960 0.009 0.000 0.260 79 G C -0.017 174.940 174.900 0.095 0.000 0.987 79 G CA -0.129 45.008 45.100 0.062 0.000 0.625 79 G HN 0.554 nan 8.290 nan 0.000 0.532 80 F N 2.674 122.595 119.950 -0.049 0.000 2.438 80 F HA 0.554 5.087 4.527 0.009 0.000 0.360 80 F C 1.451 177.168 175.800 -0.139 0.000 1.118 80 F CA -0.697 57.228 58.000 -0.125 0.000 1.164 80 F CB 1.111 40.024 39.000 -0.145 0.000 1.131 80 F HN 0.279 nan 8.300 nan 0.000 0.527 81 E N 4.124 124.001 120.200 -0.539 0.000 2.086 81 E HA -0.189 4.167 4.350 0.009 0.000 0.200 81 E C 2.154 178.298 176.600 -0.761 0.000 1.012 81 E CA 2.114 58.180 56.400 -0.557 0.000 0.812 81 E CB -0.614 28.830 29.700 -0.427 0.000 0.743 81 E HN 0.822 nan 8.360 nan 0.000 0.453 82 G N -1.289 106.586 108.800 -1.542 0.000 2.535 82 G HA2 -0.238 3.728 3.960 0.009 0.000 0.218 82 G HA3 -0.238 3.728 3.960 0.009 0.000 0.218 82 G C 1.535 176.354 174.900 -0.136 0.000 1.122 82 G CA 1.506 45.943 45.100 -1.105 0.000 0.769 82 G HN 0.510 nan 8.290 nan 0.000 0.549 83 T N -2.767 111.702 114.554 -0.143 0.000 3.026 83 T HA 0.137 4.492 4.350 0.009 0.000 0.245 83 T C 1.822 176.668 174.700 0.243 0.000 1.004 83 T CA 0.439 62.802 62.100 0.439 0.000 1.069 83 T CB 0.108 69.343 68.868 0.611 0.000 1.005 83 T HN 0.131 nan 8.240 nan 0.000 0.472 84 E N 2.665 122.874 120.200 0.014 0.000 2.153 84 E HA -0.112 4.244 4.350 0.009 0.000 0.194 84 E C 2.275 178.785 176.600 -0.150 0.000 0.988 84 E CA 1.393 57.767 56.400 -0.042 0.000 0.811 84 E CB -0.571 29.076 29.700 -0.087 0.000 0.746 84 E HN 0.773 nan 8.360 nan 0.000 0.466 85 M N -1.740 117.675 119.600 -0.310 0.000 2.337 85 M HA -0.125 4.360 4.480 0.009 0.000 0.261 85 M C 1.266 177.170 176.300 -0.661 0.000 1.067 85 M CA 1.620 56.583 55.300 -0.562 0.000 1.074 85 M CB -0.592 31.547 32.600 -0.769 0.000 1.395 85 M HN 0.041 nan 8.290 nan 0.000 0.431 86 W N 0.774 122.022 121.300 -0.087 0.000 3.107 86 W HA 0.281 4.946 4.660 0.008 0.000 0.293 86 W C 0.353 176.814 176.519 -0.096 0.000 1.239 86 W CA -1.011 56.273 57.345 -0.100 0.000 1.653 86 W CB -0.115 29.350 29.460 0.009 0.000 1.068 86 W HN 0.091 nan 8.180 nan 0.000 0.615 87 N N 2.034 120.781 118.700 0.080 0.000 2.479 87 N HA 0.089 4.834 4.740 0.009 0.000 0.257 87 N C -2.319 173.150 175.510 -0.067 0.000 1.232 87 N CA -1.175 51.885 53.050 0.017 0.000 0.920 87 N CB -0.115 38.369 38.487 -0.005 0.000 1.105 87 N HN -0.312 nan 8.380 nan 0.000 0.444 88 P HA -0.018 nan 4.420 nan 0.000 0.264 88 P C 0.038 177.259 177.300 -0.132 0.000 1.179 88 P CA 0.435 63.459 63.100 -0.127 0.000 0.763 88 P CB 0.246 31.868 31.700 -0.131 0.000 0.806 89 N N 0.368 118.978 118.700 -0.150 0.000 2.194 89 N HA 0.135 4.880 4.740 0.009 0.000 0.231 89 N C 0.175 175.618 175.510 -0.111 0.000 1.247 89 N CA -0.601 52.366 53.050 -0.138 0.000 0.884 89 N CB 0.595 38.980 38.487 -0.171 0.000 1.146 89 N HN 0.068 nan 8.380 nan 0.000 0.516 90 R N 0.590 121.024 120.500 -0.111 0.000 2.817 90 R HA 0.255 4.600 4.340 0.009 0.000 0.268 90 R C -0.837 175.400 176.300 -0.105 0.000 1.027 90 R CA -0.691 55.357 56.100 -0.087 0.000 0.928 90 R CB 1.069 31.329 30.300 -0.066 0.000 1.228 90 R HN 0.229 nan 8.270 nan 0.000 0.469 91 E N 1.487 121.630 120.200 -0.095 0.000 2.568 91 E HA -0.086 4.270 4.350 0.009 0.000 0.262 91 E C -0.474 176.034 176.600 -0.154 0.000 0.961 91 E CA 0.342 56.676 56.400 -0.110 0.000 0.945 91 E CB 0.478 30.128 29.700 -0.084 0.000 0.924 91 E HN 0.237 nan 8.360 nan 0.000 0.467 92 L N 3.465 124.547 121.223 -0.235 0.000 2.331 92 L HA 0.220 4.565 4.340 0.009 0.000 0.278 92 L C 0.350 177.026 176.870 -0.322 0.000 1.106 92 L CA 0.078 54.672 54.840 -0.409 0.000 0.824 92 L CB 1.154 42.753 42.059 -0.767 0.000 1.142 92 L HN 0.425 nan 8.230 nan 0.000 0.443 93 S N 1.429 117.021 115.700 -0.181 0.000 2.552 93 S HA 0.206 4.681 4.470 0.009 0.000 0.272 93 S C 0.183 174.805 174.600 0.037 0.000 1.150 93 S CA -0.704 57.523 58.200 0.044 0.000 0.849 93 S CB 1.614 64.821 63.200 0.013 0.000 1.113 93 S HN 0.735 nan 8.310 nan 0.000 0.458 94 E N 0.613 120.817 120.200 0.007 0.000 2.274 94 E HA -0.051 4.305 4.350 0.009 0.000 0.194 94 E C -0.352 176.193 176.600 -0.092 0.000 0.996 94 E CA 0.536 56.845 56.400 -0.150 0.000 0.840 94 E CB 0.072 29.634 29.700 -0.229 0.000 0.772 94 E HN 0.583 nan 8.360 nan 0.000 0.491 95 D N 0.199 120.583 120.400 -0.028 0.000 2.470 95 D HA -0.019 4.627 4.640 0.009 0.000 0.226 95 D C 0.200 176.576 176.300 0.128 0.000 1.196 95 D CA -0.199 53.808 54.000 0.011 0.000 0.979 95 D CB -0.077 40.752 40.800 0.048 0.000 1.059 95 D HN 0.129 nan 8.370 nan 0.000 0.515 96 c N 2.324 120.959 118.600 0.060 0.000 3.785 96 c HA 0.380 4.955 4.570 0.009 0.000 0.312 96 c C 0.703 174.884 174.090 0.152 0.000 1.566 96 c CA -0.654 55.780 56.329 0.175 0.000 1.837 96 c CB -1.190 41.358 42.510 0.063 0.000 2.826 96 c HN 0.418 nan 8.230 nan 0.000 0.667 97 L N 2.639 123.706 121.223 -0.261 0.000 2.395 97 L HA 0.400 4.745 4.340 0.009 0.000 0.268 97 L C -0.868 175.526 176.870 -0.792 0.000 1.223 97 L CA 0.424 54.939 54.840 -0.541 0.000 1.093 97 L CB -0.728 40.796 42.059 -0.892 0.000 1.349 97 L HN 0.420 nan 8.230 nan 0.000 0.427 98 Y N 2.005 122.390 120.300 0.141 0.000 2.634 98 Y HA 0.714 5.269 4.550 0.009 0.000 0.340 98 Y C -0.133 175.974 175.900 0.345 0.000 1.058 98 Y CA -1.376 56.872 58.100 0.247 0.000 1.081 98 Y CB 1.835 40.330 38.460 0.058 0.000 1.295 98 Y HN 0.168 nan 8.280 nan 0.000 0.487 99 L N -0.495 120.889 121.223 0.268 0.000 2.359 99 L HA 0.761 5.107 4.340 0.009 0.000 0.256 99 L C -1.418 175.420 176.870 -0.053 0.000 1.026 99 L CA -1.204 53.637 54.840 0.002 0.000 0.828 99 L CB 1.760 43.594 42.059 -0.374 0.000 1.406 99 L HN 0.499 nan 8.230 nan 0.000 0.413 100 N N 0.032 118.701 118.700 -0.051 0.000 2.240 100 N HA 0.747 5.492 4.740 0.009 0.000 0.302 100 N C -1.505 173.868 175.510 -0.229 0.000 1.106 100 N CA -0.463 52.474 53.050 -0.188 0.000 0.778 100 N CB 2.924 41.293 38.487 -0.197 0.000 1.431 100 N HN 0.509 nan 8.380 nan 0.000 0.479 101 V N 1.192 120.900 119.914 -0.344 0.000 2.531 101 V HA 0.437 4.562 4.120 0.009 0.000 0.301 101 V C -0.797 175.174 176.094 -0.205 0.000 1.034 101 V CA -0.816 61.365 62.300 -0.197 0.000 0.865 101 V CB 2.103 33.715 31.823 -0.351 0.000 0.995 101 V HN 0.553 nan 8.190 nan 0.000 0.424 102 W N 3.188 124.555 121.300 0.112 0.000 2.429 102 W HA 0.657 5.323 4.660 0.010 0.000 0.314 102 W C 0.210 176.809 176.519 0.134 0.000 1.062 102 W CA -0.401 57.011 57.345 0.112 0.000 1.211 102 W CB 2.327 31.843 29.460 0.093 0.000 1.305 102 W HN 0.654 nan 8.180 nan 0.000 0.476 103 T N 0.737 115.510 114.554 0.364 0.000 2.903 103 T HA 0.498 4.854 4.350 0.009 0.000 0.299 103 T C -2.697 172.165 174.700 0.269 0.000 1.093 103 T CA -2.470 59.812 62.100 0.304 0.000 1.002 103 T CB 2.390 71.465 68.868 0.345 0.000 1.127 103 T HN -0.092 nan 8.240 nan 0.000 0.488 104 P HA 0.062 nan 4.420 nan 0.000 0.271 104 P C -1.480 175.960 177.300 0.234 0.000 1.212 104 P CA 0.100 63.312 63.100 0.186 0.000 0.788 104 P CB 0.074 31.854 31.700 0.135 0.000 0.865 105 Y N 1.627 121.974 120.300 0.077 0.000 2.329 105 Y HA 0.382 4.937 4.550 0.009 0.000 0.328 105 Y C -2.170 173.759 175.900 0.049 0.000 0.992 105 Y CA -2.360 55.778 58.100 0.065 0.000 1.151 105 Y CB 1.151 39.636 38.460 0.043 0.000 1.150 105 Y HN 0.314 nan 8.280 nan 0.000 0.450 106 P HA 0.183 nan 4.420 nan 0.000 0.270 106 P C -0.917 176.327 177.300 -0.094 0.000 1.223 106 P CA -0.279 62.596 63.100 -0.375 0.000 0.785 106 P CB 0.951 32.487 31.700 -0.272 0.000 0.923 107 R N 1.707 122.176 120.500 -0.052 0.000 2.583 107 R HA 0.111 4.457 4.340 0.009 0.000 0.274 107 R C -1.546 174.776 176.300 0.036 0.000 0.998 107 R CA -0.907 55.232 56.100 0.064 0.000 1.081 107 R CB -0.800 29.565 30.300 0.109 0.000 0.940 107 R HN 0.489 nan 8.270 nan 0.000 0.413 108 P HA -0.037 nan 4.420 nan 0.000 0.271 108 P C -0.068 177.247 177.300 0.025 0.000 1.233 108 P CA -0.007 63.119 63.100 0.043 0.000 0.789 108 P CB 0.697 32.432 31.700 0.058 0.000 0.951 109 A N 2.286 125.116 122.820 0.017 0.000 1.821 109 A HA -0.040 4.286 4.320 0.009 0.000 0.215 109 A C 1.270 178.859 177.584 0.008 0.000 1.214 109 A CA 1.867 53.909 52.037 0.008 0.000 0.608 109 A CB -1.509 17.494 19.000 0.005 0.000 0.862 109 A HN 0.752 nan 8.150 nan 0.000 0.448 110 S N 0.031 115.737 115.700 0.011 0.000 2.669 110 S HA 0.547 5.022 4.470 0.009 0.000 0.270 110 S C -2.897 171.713 174.600 0.017 0.000 1.225 110 S CA -1.464 56.742 58.200 0.009 0.000 0.991 110 S CB 0.474 63.677 63.200 0.005 0.000 0.987 110 S HN 0.248 nan 8.310 nan 0.000 0.552 111 P HA 0.308 nan 4.420 nan 0.000 0.287 111 P C -0.657 176.660 177.300 0.028 0.000 1.307 111 P CA -0.263 62.851 63.100 0.024 0.000 0.777 111 P CB 0.257 31.966 31.700 0.015 0.000 0.883 112 T N 5.715 120.296 114.554 0.045 0.000 2.913 112 T HA 0.294 4.649 4.350 0.009 0.000 0.297 112 T C -2.214 172.517 174.700 0.052 0.000 1.029 112 T CA -1.246 60.883 62.100 0.047 0.000 1.104 112 T CB -0.161 68.746 68.868 0.065 0.000 0.964 112 T HN 0.248 nan 8.240 nan 0.000 0.532 113 P HA 0.224 nan 4.420 nan 0.000 0.269 113 P C -0.896 176.447 177.300 0.072 0.000 1.209 113 P CA -0.342 62.784 63.100 0.044 0.000 0.776 113 P CB 0.432 32.140 31.700 0.014 0.000 0.876 114 V N 4.192 124.165 119.914 0.098 0.000 2.483 114 V HA 0.367 4.493 4.120 0.009 0.000 0.295 114 V C 0.189 176.366 176.094 0.137 0.000 1.035 114 V CA -0.494 61.884 62.300 0.129 0.000 0.896 114 V CB 1.366 33.278 31.823 0.148 0.000 0.986 114 V HN 0.347 nan 8.190 nan 0.000 0.447 115 L N 5.444 126.761 121.223 0.157 0.000 2.333 115 L HA 0.613 4.959 4.340 0.009 0.000 0.280 115 L C -0.671 176.424 176.870 0.375 0.000 1.004 115 L CA -0.087 54.866 54.840 0.189 0.000 0.820 115 L CB 1.769 43.830 42.059 0.004 0.000 1.247 115 L HN 0.483 nan 8.230 nan 0.000 0.416 116 I N 2.648 123.482 120.570 0.439 0.000 2.378 116 I HA 0.257 4.433 4.170 0.009 0.000 0.291 116 I C -0.930 175.470 176.117 0.471 0.000 0.992 116 I CA -0.430 61.105 61.300 0.392 0.000 1.154 116 I CB 1.564 39.663 38.000 0.165 0.000 1.315 116 I HN 0.618 nan 8.210 nan 0.000 0.448 117 W N 8.373 129.748 121.300 0.125 0.000 2.349 117 W HA 0.579 5.243 4.660 0.008 0.000 0.309 117 W C -1.605 174.788 176.519 -0.210 0.000 1.083 117 W CA -0.727 56.470 57.345 -0.247 0.000 1.224 117 W CB 1.230 30.576 29.460 -0.190 0.000 1.256 117 W HN 0.357 nan 8.180 nan 0.000 0.461 118 I N 9.219 129.162 120.570 -1.046 0.000 2.359 118 I HA 0.075 4.250 4.170 0.009 0.000 0.284 118 I C -0.019 175.251 176.117 -1.412 0.000 1.018 118 I CA -1.066 59.646 61.300 -0.980 0.000 1.173 118 I CB 0.367 37.972 38.000 -0.659 0.000 1.326 118 I HN 0.289 nan 8.210 nan 0.000 0.462 119 Y N 4.716 124.432 120.300 -0.974 0.000 2.385 119 Y HA 0.698 5.253 4.550 0.009 0.000 0.346 119 Y C 0.731 176.411 175.900 -0.366 0.000 1.270 119 Y CA -0.912 56.739 58.100 -0.748 0.000 1.472 119 Y CB -0.096 38.177 38.460 -0.312 0.000 1.354 119 Y HN 0.499 nan 8.280 nan 0.000 0.611 120 G N -1.298 107.524 108.800 0.036 0.000 2.828 120 G HA2 0.508 4.473 3.960 0.009 0.000 0.244 120 G HA3 0.508 4.473 3.960 0.009 0.000 0.244 120 G C 0.178 175.024 174.900 -0.089 0.000 1.365 120 G CA -0.981 44.063 45.100 -0.093 0.000 1.041 120 G HN 1.696 nan 8.290 nan 0.000 0.560 121 G N -2.654 105.932 108.800 -0.357 0.000 2.207 121 G HA2 0.403 4.369 3.960 0.009 0.000 0.193 121 G HA3 0.403 4.369 3.960 0.009 0.000 0.193 121 G C 1.051 175.366 174.900 -0.976 0.000 1.050 121 G CA 0.721 45.488 45.100 -0.554 0.000 0.780 121 G HN 2.303 nan 8.290 nan 0.000 0.504 122 G N -0.463 107.822 108.800 -0.859 0.000 2.269 122 G HA2 -0.124 3.841 3.960 0.009 0.000 0.277 122 G HA3 -0.124 3.841 3.960 0.009 0.000 0.277 122 G C 0.933 175.415 174.900 -0.697 0.000 1.008 122 G CA 0.872 45.365 45.100 -1.012 0.000 0.774 122 G HN 1.750 nan 8.290 nan 0.000 0.511 123 F N -3.641 116.077 119.950 -0.387 0.000 2.825 123 F HA -0.321 4.211 4.527 0.009 0.000 0.358 123 F C 1.505 177.347 175.800 0.069 0.000 0.639 123 F CA 2.197 60.107 58.000 -0.149 0.000 1.153 123 F CB -2.026 36.742 39.000 -0.386 0.000 1.610 123 F HN 0.864 nan 8.300 nan 0.000 0.305 124 Y N -1.043 119.337 120.300 0.133 0.000 2.453 124 Y HA 0.668 5.224 4.550 0.009 0.000 0.247 124 Y C 0.581 176.620 175.900 0.232 0.000 1.124 124 Y CA 0.146 58.365 58.100 0.199 0.000 1.243 124 Y CB -0.021 38.524 38.460 0.141 0.000 1.213 124 Y HN 0.103 nan 8.280 nan 0.000 0.523 125 S N -0.802 114.814 115.700 -0.141 0.000 2.615 125 S HA 0.884 5.360 4.470 0.009 0.000 0.269 125 S C -0.336 174.149 174.600 -0.192 0.000 1.161 125 S CA -0.410 57.746 58.200 -0.073 0.000 0.817 125 S CB 1.561 64.745 63.200 -0.028 0.000 1.131 125 S HN 1.309 nan 8.310 nan 0.000 0.467 126 G N -0.641 108.002 108.800 -0.262 0.000 2.334 126 G HA2 0.594 4.559 3.960 0.009 0.000 0.566 126 G HA3 0.594 4.559 3.960 0.009 0.000 0.566 126 G C -0.892 173.401 174.900 -1.012 0.000 1.413 126 G CA -0.051 44.671 45.100 -0.630 0.000 0.993 126 G HN 2.133 nan 8.290 nan 0.000 0.642 127 A N -0.971 121.117 122.820 -1.220 0.000 2.577 127 A HA 0.982 5.307 4.320 0.009 0.000 0.297 127 A C 0.541 177.948 177.584 -0.296 0.000 1.060 127 A CA 0.454 52.066 52.037 -0.708 0.000 0.697 127 A CB 1.087 19.889 19.000 -0.330 0.000 1.281 127 A HN 2.547 nan 8.150 nan 0.000 0.402 128 A N 0.515 123.396 122.820 0.103 0.000 2.238 128 A HA 0.269 4.594 4.320 0.009 0.000 0.208 128 A C 1.621 179.240 177.584 0.058 0.000 1.177 128 A CA 1.679 53.933 52.037 0.362 0.000 0.804 128 A CB -0.540 18.735 19.000 0.459 0.000 0.823 128 A HN 1.607 nan 8.150 nan 0.000 0.482 129 S N -0.278 115.216 115.700 -0.343 0.000 2.524 129 S HA 0.264 4.739 4.470 0.009 0.000 0.216 129 S C 0.608 174.787 174.600 -0.703 0.000 0.987 129 S CA -0.443 57.092 58.200 -1.109 0.000 0.909 129 S CB -0.576 61.994 63.200 -1.050 0.000 0.781 129 S HN 0.422 nan 8.310 nan 0.000 0.521 130 L N 2.611 123.585 121.223 -0.414 0.000 2.543 130 L HA 0.041 4.386 4.340 0.009 0.000 0.285 130 L C 1.253 177.815 176.870 -0.513 0.000 1.236 130 L CA -0.320 54.234 54.840 -0.476 0.000 0.871 130 L CB 0.084 41.770 42.059 -0.622 0.000 1.121 130 L HN 0.045 nan 8.230 nan 0.000 0.501 131 D N 1.357 121.485 120.400 -0.453 0.000 2.133 131 D HA -0.146 4.499 4.640 0.009 0.000 0.195 131 D C 1.958 177.975 176.300 -0.471 0.000 0.997 131 D CA 1.477 55.261 54.000 -0.360 0.000 0.840 131 D CB -0.038 40.586 40.800 -0.293 0.000 0.947 131 D HN 0.554 nan 8.370 nan 0.000 0.452 132 V N -1.409 118.077 119.914 -0.714 0.000 3.383 132 V HA -0.125 4.000 4.120 0.009 0.000 0.272 132 V C 0.614 176.094 176.094 -1.023 0.000 1.181 132 V CA 0.932 62.766 62.300 -0.777 0.000 1.171 132 V CB -1.277 30.043 31.823 -0.838 0.000 0.800 132 V HN 0.094 nan 8.190 nan 0.000 0.515 133 Y N -0.278 119.470 120.300 -0.920 0.000 2.696 133 Y HA 0.484 5.039 4.550 0.009 0.000 0.260 133 Y C 0.699 176.075 175.900 -0.873 0.000 1.165 133 Y CA -2.170 55.038 58.100 -1.487 0.000 1.189 133 Y CB -0.566 37.380 38.460 -0.858 0.000 1.180 133 Y HN 0.214 nan 8.280 nan 0.000 0.538 134 D N 0.886 121.011 120.400 -0.457 0.000 2.434 134 D HA 0.073 4.719 4.640 0.009 0.000 0.252 134 D C 1.358 177.322 176.300 -0.561 0.000 1.185 134 D CA 0.564 54.320 54.000 -0.406 0.000 0.886 134 D CB 1.446 42.151 40.800 -0.159 0.000 1.148 134 D HN 0.482 nan 8.370 nan 0.000 0.483 135 G N 3.800 111.617 108.800 -1.638 0.000 2.985 135 G HA2 -0.134 3.831 3.960 0.009 0.000 0.209 135 G HA3 -0.134 3.831 3.960 0.009 0.000 0.209 135 G C 1.452 175.834 174.900 -0.864 0.000 1.165 135 G CA 0.197 44.618 45.100 -1.131 0.000 0.776 135 G HN 0.620 nan 8.290 nan 0.000 0.541 136 R N -0.561 119.333 120.500 -1.010 0.000 2.096 136 R HA 0.005 4.350 4.340 0.009 0.000 0.235 136 R C 1.668 177.679 176.300 -0.481 0.000 1.127 136 R CA 1.274 56.987 56.100 -0.645 0.000 0.968 136 R CB -0.661 29.251 30.300 -0.648 0.000 0.861 136 R HN 0.312 nan 8.270 nan 0.000 0.440 137 F N 1.246 121.096 119.950 -0.167 0.000 2.206 137 F HA 0.081 4.614 4.527 0.009 0.000 0.298 137 F C 2.197 177.933 175.800 -0.107 0.000 1.090 137 F CA 0.637 58.566 58.000 -0.118 0.000 1.323 137 F CB -0.407 38.514 39.000 -0.131 0.000 1.028 137 F HN -0.122 nan 8.300 nan 0.000 0.492 138 L N -0.193 121.051 121.223 0.034 0.000 2.056 138 L HA -0.152 4.193 4.340 0.009 0.000 0.207 138 L C 2.726 179.597 176.870 0.001 0.000 1.078 138 L CA 1.076 55.898 54.840 -0.030 0.000 0.749 138 L CB -0.898 41.090 42.059 -0.119 0.000 0.901 138 L HN 0.163 nan 8.230 nan 0.000 0.433 139 A N -0.750 122.076 122.820 0.010 0.000 1.841 139 A HA -0.289 4.036 4.320 0.009 0.000 0.216 139 A C 2.274 179.894 177.584 0.061 0.000 1.199 139 A CA 1.864 53.946 52.037 0.074 0.000 0.621 139 A CB -0.719 18.363 19.000 0.137 0.000 0.835 139 A HN 0.391 nan 8.150 nan 0.000 0.445 140 Q N -0.381 119.437 119.800 0.031 0.000 2.020 140 Q HA -0.112 4.233 4.340 0.009 0.000 0.202 140 Q C 2.155 178.180 176.000 0.043 0.000 0.982 140 Q CA 2.175 58.000 55.803 0.037 0.000 0.838 140 Q CB -0.360 28.381 28.738 0.005 0.000 0.899 140 Q HN 0.408 nan 8.270 nan 0.000 0.423 141 V N 0.735 120.673 119.914 0.041 0.000 3.052 141 V HA -0.040 4.085 4.120 0.009 0.000 0.254 141 V C 1.278 177.382 176.094 0.017 0.000 1.100 141 V CA 1.057 63.376 62.300 0.032 0.000 1.112 141 V CB 0.139 31.983 31.823 0.034 0.000 0.738 141 V HN 0.188 nan 8.190 nan 0.000 0.469 142 E N -0.274 119.936 120.200 0.016 0.000 2.583 142 E HA 0.241 4.596 4.350 0.009 0.000 0.213 142 E C 1.598 178.211 176.600 0.022 0.000 0.989 142 E CA 0.585 56.990 56.400 0.008 0.000 0.991 142 E CB 0.662 30.357 29.700 -0.009 0.000 1.040 142 E HN 0.480 nan 8.360 nan 0.000 0.481 143 G N 1.892 110.715 108.800 0.038 0.000 2.233 143 G HA2 -0.336 3.629 3.960 0.009 0.000 0.270 143 G HA3 -0.336 3.629 3.960 0.009 0.000 0.270 143 G C 0.545 175.483 174.900 0.063 0.000 1.011 143 G CA 0.573 45.705 45.100 0.054 0.000 0.762 143 G HN 0.449 nan 8.290 nan 0.000 0.511 144 A N -0.809 122.047 122.820 0.060 0.000 2.340 144 A HA 0.698 5.023 4.320 0.009 0.000 0.268 144 A C 0.483 178.138 177.584 0.119 0.000 1.100 144 A CA -0.020 52.058 52.037 0.068 0.000 0.803 144 A CB 1.210 20.231 19.000 0.034 0.000 1.043 144 A HN 1.061 nan 8.150 nan 0.000 0.488 145 V N 3.262 123.256 119.914 0.133 0.000 2.385 145 V HA 0.338 4.463 4.120 0.009 0.000 0.269 145 V C 0.005 176.223 176.094 0.207 0.000 1.043 145 V CA -0.019 62.388 62.300 0.179 0.000 0.906 145 V CB 0.595 32.517 31.823 0.164 0.000 0.995 145 V HN 0.728 nan 8.190 nan 0.000 0.467 146 L N 5.926 127.325 121.223 0.292 0.000 2.346 146 L HA 0.787 5.132 4.340 0.009 0.000 0.276 146 L C -0.898 176.244 176.870 0.454 0.000 1.006 146 L CA -0.350 54.715 54.840 0.376 0.000 0.817 146 L CB 2.050 44.341 42.059 0.386 0.000 1.272 146 L HN 0.433 nan 8.230 nan 0.000 0.421 147 V N 2.563 122.729 119.914 0.419 0.000 2.709 147 V HA 0.678 4.803 4.120 0.009 0.000 0.308 147 V C -0.717 175.611 176.094 0.390 0.000 1.062 147 V CA -0.475 62.023 62.300 0.330 0.000 0.901 147 V CB 2.231 34.175 31.823 0.201 0.000 1.003 147 V HN 0.841 nan 8.190 nan 0.000 0.425 148 S N 4.940 120.857 115.700 0.361 0.000 2.541 148 S HA 0.882 5.357 4.470 0.009 0.000 0.280 148 S C -0.832 173.879 174.600 0.186 0.000 1.112 148 S CA -0.838 57.569 58.200 0.346 0.000 0.925 148 S CB 2.268 65.816 63.200 0.579 0.000 1.067 148 S HN 0.866 nan 8.310 nan 0.000 0.479 149 M N 1.209 120.868 119.600 0.097 0.000 2.602 149 M HA 0.644 5.129 4.480 0.009 0.000 0.312 149 M C -1.587 174.860 176.300 0.244 0.000 1.181 149 M CA -0.585 54.740 55.300 0.042 0.000 0.910 149 M CB 1.026 33.453 32.600 -0.288 0.000 1.723 149 M HN 0.528 nan 8.290 nan 0.000 0.459 150 N N 2.621 121.547 118.700 0.376 0.000 2.529 150 N HA 0.549 5.295 4.740 0.009 0.000 0.278 150 N C -1.365 174.398 175.510 0.421 0.000 1.146 150 N CA 0.140 53.440 53.050 0.416 0.000 0.980 150 N CB 0.473 39.173 38.487 0.356 0.000 1.124 150 N HN 0.729 nan 8.380 nan 0.000 0.458 151 Y N -1.856 118.593 120.300 0.247 0.000 2.562 151 Y HA 0.562 5.117 4.550 0.009 0.000 0.345 151 Y C -0.204 175.820 175.900 0.206 0.000 1.045 151 Y CA -1.337 56.872 58.100 0.180 0.000 1.028 151 Y CB 0.995 39.499 38.460 0.073 0.000 1.297 151 Y HN 0.191 nan 8.280 nan 0.000 0.463 152 R N 2.010 122.655 120.500 0.241 0.000 2.491 152 R HA 0.518 4.863 4.340 0.009 0.000 0.283 152 R C -0.263 176.197 176.300 0.268 0.000 1.072 152 R CA -0.342 55.848 56.100 0.151 0.000 1.048 152 R CB 1.017 31.362 30.300 0.075 0.000 0.983 152 R HN 0.717 nan 8.270 nan 0.000 0.450 153 V N -0.041 120.065 119.914 0.320 0.000 3.204 153 V HA 0.847 4.973 4.120 0.009 0.000 0.316 153 V C 0.871 177.291 176.094 0.543 0.000 1.160 153 V CA -0.206 62.409 62.300 0.525 0.000 1.044 153 V CB 1.023 33.051 31.823 0.342 0.000 1.136 153 V HN 0.955 nan 8.190 nan 0.000 0.455 154 G N 1.498 110.643 108.800 0.576 0.000 2.581 154 G HA2 -0.321 3.644 3.960 0.009 0.000 0.291 154 G HA3 -0.321 3.644 3.960 0.009 0.000 0.291 154 G C 1.042 176.086 174.900 0.241 0.000 1.277 154 G CA 1.801 47.155 45.100 0.423 0.000 0.959 154 G HN 2.288 nan 8.290 nan 0.000 0.554 155 T N -1.825 112.617 114.554 -0.186 0.000 2.746 155 T HA -0.070 4.285 4.350 0.009 0.000 0.267 155 T C 2.153 176.710 174.700 -0.238 0.000 1.039 155 T CA 2.550 64.298 62.100 -0.587 0.000 1.142 155 T CB -0.448 67.916 68.868 -0.840 0.000 0.866 155 T HN 0.572 nan 8.240 nan 0.000 0.444 156 F N 2.330 122.312 119.950 0.052 0.000 2.161 156 F HA 0.147 4.679 4.527 0.009 0.000 0.300 156 F C 2.867 178.640 175.800 -0.045 0.000 1.089 156 F CA 0.936 58.920 58.000 -0.027 0.000 1.282 156 F CB -1.144 37.811 39.000 -0.075 0.000 1.010 156 F HN 0.360 nan 8.300 nan 0.000 0.485 157 G N -1.573 107.292 108.800 0.109 0.000 2.453 157 G HA2 -0.059 3.906 3.960 0.009 0.000 0.215 157 G HA3 -0.059 3.906 3.960 0.009 0.000 0.215 157 G C 0.993 175.407 174.900 -0.810 0.000 1.147 157 G CA 0.470 45.360 45.100 -0.350 0.000 0.802 157 G HN 0.380 nan 8.290 nan 0.000 0.535 158 F N -0.799 119.225 119.950 0.124 0.000 2.856 158 F HA 0.426 4.958 4.527 0.009 0.000 0.338 158 F C 0.504 176.351 175.800 0.079 0.000 1.100 158 F CA -0.947 57.105 58.000 0.087 0.000 1.150 158 F CB 0.316 39.373 39.000 0.094 0.000 1.101 158 F HN -0.082 nan 8.300 nan 0.000 0.548 159 L N 2.263 123.494 121.223 0.012 0.000 2.513 159 L HA 0.519 4.864 4.340 0.009 0.000 0.272 159 L C -0.098 176.717 176.870 -0.091 0.000 1.187 159 L CA -0.002 54.735 54.840 -0.172 0.000 0.895 159 L CB 0.380 42.032 42.059 -0.679 0.000 1.147 159 L HN 0.120 nan 8.230 nan 0.000 0.483 160 A N 6.273 129.092 122.820 -0.001 0.000 2.398 160 A HA 0.613 4.939 4.320 0.009 0.000 0.301 160 A C -1.002 176.558 177.584 -0.040 0.000 1.041 160 A CA -0.586 51.438 52.037 -0.022 0.000 0.711 160 A CB 1.293 20.313 19.000 0.034 0.000 1.240 160 A HN 0.732 nan 8.150 nan 0.000 0.420 161 L N 3.588 124.771 121.223 -0.067 0.000 2.417 161 L HA 0.303 4.649 4.340 0.009 0.000 0.258 161 L C -2.362 174.493 176.870 -0.025 0.000 1.088 161 L CA -1.785 53.025 54.840 -0.051 0.000 0.975 161 L CB 1.184 43.198 42.059 -0.075 0.000 1.341 161 L HN 0.414 nan 8.230 nan 0.000 0.431 162 P HA 0.071 nan 4.420 nan 0.000 0.264 162 P C 0.943 178.243 177.300 -0.001 0.000 1.193 162 P CA 0.693 63.793 63.100 -0.000 0.000 0.763 162 P CB 0.915 32.617 31.700 0.003 0.000 0.810 163 G N 1.695 110.499 108.800 0.006 0.000 2.213 163 G HA2 -0.228 3.738 3.960 0.009 0.000 0.236 163 G HA3 -0.228 3.738 3.960 0.009 0.000 0.236 163 G C 0.358 175.261 174.900 0.004 0.000 0.991 163 G CA 0.223 45.327 45.100 0.006 0.000 0.629 163 G HN 0.806 nan 8.290 nan 0.000 0.517 164 S N -0.321 115.379 115.700 -0.000 0.000 2.617 164 S HA 0.637 5.112 4.470 0.009 0.000 0.269 164 S C 1.208 175.813 174.600 0.008 0.000 1.292 164 S CA 0.351 58.550 58.200 -0.001 0.000 1.010 164 S CB 2.086 65.277 63.200 -0.014 0.000 0.944 164 S HN 0.417 nan 8.310 nan 0.000 0.536 165 R N 0.380 120.887 120.500 0.011 0.000 2.090 165 R HA -0.033 4.312 4.340 0.009 0.000 0.228 165 R C 1.269 177.585 176.300 0.026 0.000 1.110 165 R CA 1.541 57.653 56.100 0.019 0.000 0.973 165 R CB -0.206 30.105 30.300 0.018 0.000 0.869 165 R HN 0.821 nan 8.270 nan 0.000 0.440 166 E N -1.019 119.196 120.200 0.024 0.000 2.400 166 E HA 0.116 4.472 4.350 0.009 0.000 0.195 166 E C -0.231 176.406 176.600 0.063 0.000 1.012 166 E CA 0.600 57.026 56.400 0.044 0.000 0.875 166 E CB 1.075 30.799 29.700 0.041 0.000 0.859 166 E HN 0.235 nan 8.360 nan 0.000 0.498 167 A N 1.125 123.957 122.820 0.020 0.000 3.300 167 A HA 0.285 4.611 4.320 0.009 0.000 0.300 167 A C -2.209 175.373 177.584 -0.004 0.000 1.099 167 A CA -0.952 51.087 52.037 0.003 0.000 0.846 167 A CB 0.500 19.421 19.000 -0.132 0.000 1.255 167 A HN -0.089 nan 8.150 nan 0.000 0.519 168 P HA 0.158 nan 4.420 nan 0.000 0.233 168 P C 0.903 178.219 177.300 0.026 0.000 1.167 168 P CA 1.718 64.833 63.100 0.025 0.000 0.770 168 P CB 0.197 31.922 31.700 0.041 0.000 0.837 169 G N 0.761 109.573 108.800 0.020 0.000 2.707 169 G HA2 -0.179 3.786 3.960 0.009 0.000 0.686 169 G HA3 -0.179 3.786 3.960 0.009 0.000 0.686 169 G C -0.091 174.809 174.900 0.000 0.000 1.315 169 G CA -0.313 44.801 45.100 0.024 0.000 0.832 169 G HN 0.104 nan 8.290 nan 0.000 0.573 170 N N -2.330 116.369 118.700 -0.002 0.000 2.732 170 N HA -0.295 4.451 4.740 0.009 0.000 0.250 170 N C 1.970 177.364 175.510 -0.193 0.000 1.097 170 N CA 2.464 55.455 53.050 -0.097 0.000 0.812 170 N CB -1.618 36.710 38.487 -0.265 0.000 1.148 170 N HN 1.948 nan 8.380 nan 0.000 0.572 171 V N -2.478 117.320 119.914 -0.193 0.000 2.594 171 V HA -0.052 4.073 4.120 0.009 0.000 0.253 171 V C 2.294 178.273 176.094 -0.191 0.000 1.069 171 V CA 2.341 64.559 62.300 -0.137 0.000 1.082 171 V CB -0.930 30.852 31.823 -0.069 0.000 0.680 171 V HN 0.289 nan 8.190 nan 0.000 0.469 172 G N 0.628 109.128 108.800 -0.500 0.000 2.421 172 G HA2 -0.179 3.786 3.960 0.009 0.000 0.216 172 G HA3 -0.179 3.786 3.960 0.009 0.000 0.216 172 G C 1.545 176.443 174.900 -0.004 0.000 1.171 172 G CA 1.225 46.151 45.100 -0.291 0.000 0.775 172 G HN 0.543 nan 8.290 nan 0.000 0.543 173 L N -0.011 121.181 121.223 -0.052 0.000 2.083 173 L HA -0.006 4.339 4.340 0.009 0.000 0.209 173 L C 2.827 179.751 176.870 0.090 0.000 1.083 173 L CA 0.516 55.279 54.840 -0.128 0.000 0.752 173 L CB -0.313 41.336 42.059 -0.683 0.000 0.899 173 L HN 0.179 nan 8.230 nan 0.000 0.433 174 L N -0.657 120.616 121.223 0.082 0.000 2.201 174 L HA -0.171 4.174 4.340 0.009 0.000 0.212 174 L C 2.057 179.056 176.870 0.215 0.000 1.105 174 L CA 0.695 55.666 54.840 0.219 0.000 0.775 174 L CB -0.548 41.612 42.059 0.168 0.000 0.913 174 L HN 0.306 nan 8.230 nan 0.000 0.440 175 D N -0.132 120.382 120.400 0.191 0.000 2.117 175 D HA -0.171 4.474 4.640 0.009 0.000 0.198 175 D C 2.230 178.742 176.300 0.354 0.000 0.982 175 D CA 1.017 55.204 54.000 0.312 0.000 0.828 175 D CB -0.112 40.873 40.800 0.310 0.000 0.967 175 D HN 0.375 nan 8.370 nan 0.000 0.464 176 Q N 0.263 120.185 119.800 0.203 0.000 2.084 176 Q HA -0.121 4.224 4.340 0.009 0.000 0.202 176 Q C 2.282 178.309 176.000 0.046 0.000 0.978 176 Q CA 0.948 56.787 55.803 0.059 0.000 0.844 176 Q CB 0.002 28.746 28.738 0.010 0.000 0.898 176 Q HN 0.179 nan 8.270 nan 0.000 0.426 177 R N 0.501 121.123 120.500 0.204 0.000 2.075 177 R HA -0.150 4.195 4.340 0.009 0.000 0.232 177 R C 2.210 178.602 176.300 0.152 0.000 1.126 177 R CA 0.928 57.140 56.100 0.186 0.000 0.963 177 R CB -0.227 30.267 30.300 0.323 0.000 0.858 177 R HN 0.206 nan 8.270 nan 0.000 0.435 178 L N 0.820 122.177 121.223 0.224 0.000 2.127 178 L HA -0.097 4.248 4.340 0.009 0.000 0.211 178 L C 2.162 179.181 176.870 0.248 0.000 1.089 178 L CA 2.035 57.042 54.840 0.279 0.000 0.757 178 L CB -0.539 41.752 42.059 0.386 0.000 0.899 178 L HN 0.249 nan 8.230 nan 0.000 0.434 179 A N -0.905 121.924 122.820 0.014 0.000 1.929 179 A HA -0.083 4.242 4.320 0.009 0.000 0.216 179 A C 2.180 179.755 177.584 -0.015 0.000 1.176 179 A CA 1.473 53.318 52.037 -0.320 0.000 0.628 179 A CB -0.639 17.878 19.000 -0.805 0.000 0.816 179 A HN 0.456 nan 8.150 nan 0.000 0.444 180 L N -1.076 120.138 121.223 -0.015 0.000 2.083 180 L HA -0.242 4.104 4.340 0.009 0.000 0.209 180 L C 2.817 179.747 176.870 0.101 0.000 1.083 180 L CA 1.664 56.517 54.840 0.023 0.000 0.752 180 L CB -0.821 41.208 42.059 -0.050 0.000 0.899 180 L HN 0.480 nan 8.230 nan 0.000 0.433 181 Q N -0.749 119.128 119.800 0.129 0.000 2.020 181 Q HA -0.259 4.086 4.340 0.009 0.000 0.202 181 Q C 2.037 178.137 176.000 0.166 0.000 0.982 181 Q CA 2.197 58.082 55.803 0.137 0.000 0.838 181 Q CB -0.311 28.517 28.738 0.148 0.000 0.899 181 Q HN 0.480 nan 8.270 nan 0.000 0.423 182 W N 0.112 121.448 121.300 0.061 0.000 2.305 182 W HA -0.295 4.370 4.660 0.009 0.000 0.308 182 W C 1.842 178.397 176.519 0.061 0.000 1.226 182 W CA 1.667 59.059 57.345 0.078 0.000 1.253 182 W CB -0.301 29.214 29.460 0.092 0.000 1.146 182 W HN -0.071 nan 8.180 nan 0.000 0.507 183 V N 0.760 120.876 119.914 0.337 0.000 2.233 183 V HA -0.397 3.728 4.120 0.009 0.000 0.247 183 V C 2.606 178.708 176.094 0.013 0.000 1.050 183 V CA 2.285 64.700 62.300 0.190 0.000 1.010 183 V CB -1.223 30.720 31.823 0.200 0.000 0.637 183 V HN 0.226 nan 8.190 nan 0.000 0.444 184 Q N -0.255 119.566 119.800 0.034 0.000 2.062 184 Q HA -0.316 4.029 4.340 0.009 0.000 0.209 184 Q C 2.285 178.250 176.000 -0.059 0.000 0.996 184 Q CA 2.467 58.276 55.803 0.009 0.000 0.859 184 Q CB -0.426 28.328 28.738 0.027 0.000 0.920 184 Q HN 0.809 nan 8.270 nan 0.000 0.415 185 E N -0.419 119.709 120.200 -0.120 0.000 2.152 185 E HA -0.101 4.254 4.350 0.009 0.000 0.192 185 E C 1.225 177.666 176.600 -0.265 0.000 0.983 185 E CA 0.786 57.084 56.400 -0.171 0.000 0.818 185 E CB 0.286 29.884 29.700 -0.169 0.000 0.758 185 E HN 0.300 nan 8.360 nan 0.000 0.467 186 N N -0.229 118.208 118.700 -0.438 0.000 2.317 186 N HA -0.010 4.736 4.740 0.009 0.000 0.199 186 N C 1.550 176.925 175.510 -0.225 0.000 1.145 186 N CA 0.034 52.768 53.050 -0.527 0.000 0.882 186 N CB 0.256 38.012 38.487 -1.218 0.000 1.113 186 N HN 0.115 nan 8.380 nan 0.000 0.486 187 I N 2.637 123.135 120.570 -0.121 0.000 2.264 187 I HA -0.179 3.996 4.170 0.009 0.000 0.248 187 I C 2.210 178.448 176.117 0.201 0.000 1.111 187 I CA 0.724 62.112 61.300 0.146 0.000 1.382 187 I CB -0.378 37.691 38.000 0.115 0.000 1.060 187 I HN 0.073 nan 8.210 nan 0.000 0.418 188 A N 0.462 123.315 122.820 0.055 0.000 1.958 188 A HA -0.267 4.058 4.320 0.009 0.000 0.221 188 A C 2.484 180.055 177.584 -0.022 0.000 1.178 188 A CA 2.043 54.092 52.037 0.021 0.000 0.642 188 A CB -1.341 17.644 19.000 -0.025 0.000 0.816 188 A HN 0.534 nan 8.150 nan 0.000 0.453 189 A N -1.765 120.985 122.820 -0.117 0.000 2.131 189 A HA 0.042 4.368 4.320 0.009 0.000 0.220 189 A C 1.411 178.715 177.584 -0.467 0.000 1.158 189 A CA 1.380 53.210 52.037 -0.346 0.000 0.665 189 A CB -0.656 18.013 19.000 -0.552 0.000 0.795 189 A HN 0.557 nan 8.150 nan 0.000 0.460 190 F N -1.457 118.451 119.950 -0.069 0.000 2.661 190 F HA 0.427 4.960 4.527 0.009 0.000 0.306 190 F C 1.555 177.372 175.800 0.027 0.000 1.094 190 F CA 0.192 58.178 58.000 -0.023 0.000 1.254 190 F CB 0.165 39.168 39.000 0.004 0.000 1.040 190 F HN 0.259 nan 8.300 nan 0.000 0.562 191 G N 0.760 109.645 108.800 0.143 0.000 2.149 191 G HA2 -0.117 3.848 3.960 0.009 0.000 0.235 191 G HA3 -0.117 3.848 3.960 0.009 0.000 0.235 191 G C 0.432 175.402 174.900 0.116 0.000 1.018 191 G CA -0.241 44.921 45.100 0.102 0.000 0.728 191 G HN 0.747 nan 8.290 nan 0.000 0.508 192 G N -0.672 108.211 108.800 0.137 0.000 2.389 192 G HA2 0.508 4.473 3.960 0.009 0.000 0.317 192 G HA3 0.508 4.473 3.960 0.009 0.000 0.317 192 G C -0.700 174.249 174.900 0.082 0.000 1.137 192 G CA -0.080 45.093 45.100 0.121 0.000 0.870 192 G HN 0.192 nan 8.290 nan 0.000 0.496 193 D N 1.957 122.400 120.400 0.072 0.000 2.411 193 D HA 0.288 4.933 4.640 0.009 0.000 0.225 193 D C -1.559 174.786 176.300 0.075 0.000 1.156 193 D CA -2.174 51.856 54.000 0.050 0.000 0.874 193 D CB 1.800 42.615 40.800 0.026 0.000 1.034 193 D HN -0.014 nan 8.370 nan 0.000 0.502 194 P HA 0.021 nan 4.420 nan 0.000 0.239 194 P C 0.857 178.271 177.300 0.189 0.000 1.184 194 P CA 0.764 63.931 63.100 0.111 0.000 0.760 194 P CB 0.049 31.788 31.700 0.065 0.000 0.884 195 M N -2.889 116.769 119.600 0.095 0.000 2.333 195 M HA 0.169 4.655 4.480 0.009 0.000 0.257 195 M C 0.460 176.527 176.300 -0.388 0.000 1.078 195 M CA 0.425 55.685 55.300 -0.066 0.000 1.005 195 M CB 0.492 33.018 32.600 -0.124 0.000 1.444 195 M HN -0.252 nan 8.290 nan 0.000 0.496 196 S N 1.363 117.045 115.700 -0.029 0.000 2.216 196 S HA 0.416 4.892 4.470 0.009 0.000 0.156 196 S C -0.890 173.840 174.600 0.216 0.000 1.665 196 S CA -0.337 57.876 58.200 0.021 0.000 1.262 196 S CB 0.650 63.828 63.200 -0.037 0.000 1.207 196 S HN 0.043 nan 8.310 nan 0.000 0.427 197 V N 3.669 123.867 119.914 0.474 0.000 2.350 197 V HA 0.452 4.578 4.120 0.009 0.000 0.285 197 V C 0.155 176.419 176.094 0.284 0.000 1.014 197 V CA -0.371 62.107 62.300 0.297 0.000 0.831 197 V CB 1.628 33.583 31.823 0.220 0.000 1.000 197 V HN 0.623 nan 8.190 nan 0.000 0.433 198 T N 6.877 121.562 114.554 0.219 0.000 2.795 198 T HA 0.577 4.933 4.350 0.009 0.000 0.282 198 T C -0.114 174.727 174.700 0.235 0.000 0.980 198 T CA -0.250 61.989 62.100 0.231 0.000 1.012 198 T CB 0.773 69.743 68.868 0.171 0.000 0.936 198 T HN 0.329 nan 8.240 nan 0.000 0.457 199 L N 5.113 126.447 121.223 0.185 0.000 2.312 199 L HA 0.647 4.992 4.340 0.009 0.000 0.281 199 L C -0.430 176.642 176.870 0.337 0.000 1.070 199 L CA -0.848 54.063 54.840 0.117 0.000 0.805 199 L CB 0.410 42.311 42.059 -0.264 0.000 1.174 199 L HN 0.619 nan 8.230 nan 0.000 0.434 200 F N 0.811 120.831 119.950 0.117 0.000 2.588 200 F HA 0.975 5.507 4.527 0.009 0.000 0.310 200 F C -0.257 175.568 175.800 0.041 0.000 1.082 200 F CA -1.408 56.718 58.000 0.209 0.000 0.929 200 F CB 1.588 40.853 39.000 0.441 0.000 1.254 200 F HN 0.463 nan 8.300 nan 0.000 0.455 201 G N 1.147 109.841 108.800 -0.178 0.000 2.608 201 G HA2 0.525 4.491 3.960 0.009 0.000 0.291 201 G HA3 0.525 4.491 3.960 0.009 0.000 0.291 201 G C -2.365 172.345 174.900 -0.316 0.000 1.425 201 G CA -0.701 43.894 45.100 -0.842 0.000 0.787 201 G HN 0.883 nan 8.290 nan 0.000 0.484 205 G N 0.432 109.013 108.800 -0.366 0.000 2.422 205 G HA2 0.177 4.142 3.960 0.009 0.000 0.218 205 G HA3 0.177 4.142 3.960 0.009 0.000 0.218 205 G C 1.555 176.267 174.900 -0.313 0.000 1.140 205 G CA 1.565 46.406 45.100 -0.432 0.000 0.775 205 G HN 1.161 nan 8.290 nan 0.000 0.545 206 A N 1.072 123.791 122.820 -0.169 0.000 1.929 206 A HA 0.417 4.742 4.320 0.009 0.000 0.216 206 A C 2.773 180.338 177.584 -0.032 0.000 1.176 206 A CA 1.844 53.843 52.037 -0.064 0.000 0.628 206 A CB -0.641 18.382 19.000 0.038 0.000 0.816 206 A HN 0.658 nan 8.150 nan 0.000 0.444 207 A N -0.246 122.577 122.820 0.005 0.000 1.902 207 A HA -0.082 4.243 4.320 0.009 0.000 0.217 207 A C 2.427 180.007 177.584 -0.006 0.000 1.181 207 A CA 2.076 54.113 52.037 -0.001 0.000 0.623 207 A CB -0.875 18.155 19.000 0.050 0.000 0.818 207 A HN 0.442 nan 8.150 nan 0.000 0.443 208 S N -0.380 115.304 115.700 -0.026 0.000 2.353 208 S HA -0.167 4.309 4.470 0.009 0.000 0.222 208 S C 1.911 176.502 174.600 -0.016 0.000 1.035 208 S CA 1.539 59.697 58.200 -0.070 0.000 1.025 208 S CB -0.637 62.443 63.200 -0.199 0.000 0.902 208 S HN 0.349 nan 8.310 nan 0.000 0.440 209 V N 1.748 121.642 119.914 -0.032 0.000 2.287 209 V HA -0.202 3.923 4.120 0.009 0.000 0.248 209 V C 2.638 178.742 176.094 0.017 0.000 1.053 209 V CA 2.028 64.313 62.300 -0.025 0.000 1.027 209 V CB -1.574 30.203 31.823 -0.076 0.000 0.646 209 V HN 0.611 nan 8.190 nan 0.000 0.447 210 G N -0.888 107.912 108.800 -0.000 0.000 2.469 210 G HA2 -0.322 3.644 3.960 0.009 0.000 0.219 210 G HA3 -0.322 3.644 3.960 0.009 0.000 0.219 210 G C 1.617 176.536 174.900 0.031 0.000 1.150 210 G CA 1.315 46.416 45.100 0.002 0.000 0.763 210 G HN 0.459 nan 8.290 nan 0.000 0.561 211 M N -0.215 119.385 119.600 -0.001 0.000 2.229 211 M HA 0.036 4.521 4.480 0.009 0.000 0.264 211 M C 2.292 178.646 176.300 0.090 0.000 1.063 211 M CA 0.830 56.149 55.300 0.032 0.000 1.114 211 M CB -0.195 32.392 32.600 -0.021 0.000 1.387 211 M HN 0.231 nan 8.290 nan 0.000 0.420 212 H N -0.175 118.997 119.070 0.171 0.000 2.389 212 H HA -0.043 4.519 4.556 0.009 0.000 0.299 212 H C 2.154 177.683 175.328 0.335 0.000 1.081 212 H CA 1.545 57.708 56.048 0.192 0.000 1.345 212 H CB -0.379 29.368 29.762 -0.025 0.000 1.393 212 H HN 0.398 nan 8.280 nan 0.000 0.520 213 I N 0.825 121.658 120.570 0.438 0.000 2.335 213 I HA -0.254 3.922 4.170 0.009 0.000 0.251 213 I C 1.867 178.153 176.117 0.282 0.000 1.129 213 I CA 1.125 62.674 61.300 0.415 0.000 1.402 213 I CB -0.067 38.075 38.000 0.237 0.000 1.069 213 I HN 0.122 nan 8.210 nan 0.000 0.424 214 L N -1.216 120.131 121.223 0.207 0.000 2.607 214 L HA 0.134 4.480 4.340 0.009 0.000 0.228 214 L C 0.897 177.823 176.870 0.093 0.000 1.123 214 L CA 0.005 54.950 54.840 0.175 0.000 0.890 214 L CB 0.077 42.218 42.059 0.138 0.000 1.103 214 L HN -0.015 nan 8.230 nan 0.000 0.468 215 S N 0.030 115.756 115.700 0.043 0.000 2.498 215 S HA 0.240 4.715 4.470 0.009 0.000 0.324 215 S C 0.703 175.241 174.600 -0.104 0.000 1.071 215 S CA -0.580 57.531 58.200 -0.148 0.000 1.113 215 S CB 1.290 64.148 63.200 -0.570 0.000 0.976 215 S HN 0.148 nan 8.310 nan 0.000 0.462 216 L N 7.679 128.850 121.223 -0.088 0.000 1.990 216 L HA 0.036 4.381 4.340 0.009 0.000 0.213 216 L C -1.017 175.818 176.870 -0.057 0.000 1.072 216 L CA 2.270 57.077 54.840 -0.055 0.000 0.755 216 L CB -1.023 41.006 42.059 -0.050 0.000 0.889 216 L HN 0.488 nan 8.230 nan 0.000 0.432 217 P HA -0.098 nan 4.420 nan 0.000 0.219 217 P C 1.546 178.841 177.300 -0.008 0.000 1.146 217 P CA 1.493 64.559 63.100 -0.056 0.000 0.808 217 P CB -0.003 31.650 31.700 -0.078 0.000 0.779 218 S N -1.199 114.507 115.700 0.011 0.000 2.496 218 S HA 0.032 4.507 4.470 0.009 0.000 0.224 218 S C 1.834 176.584 174.600 0.250 0.000 0.996 218 S CA 0.254 58.561 58.200 0.178 0.000 0.927 218 S CB -0.351 63.063 63.200 0.356 0.000 0.774 218 S HN 0.024 nan 8.310 nan 0.000 0.524 219 R N 2.155 122.708 120.500 0.087 0.000 2.127 219 R HA -0.012 4.334 4.340 0.009 0.000 0.238 219 R C 2.378 178.515 176.300 -0.271 0.000 1.134 219 R CA 1.431 57.449 56.100 -0.137 0.000 0.975 219 R CB -1.171 29.070 30.300 -0.098 0.000 0.865 219 R HN 0.554 nan 8.270 nan 0.000 0.447 220 S N -0.371 115.259 115.700 -0.116 0.000 2.607 220 S HA 0.064 4.539 4.470 0.009 0.000 0.224 220 S C 1.525 176.060 174.600 -0.109 0.000 0.969 220 S CA 0.210 58.344 58.200 -0.111 0.000 0.927 220 S CB -0.090 63.082 63.200 -0.046 0.000 0.772 220 S HN 0.262 nan 8.310 nan 0.000 0.533 221 L N 0.486 121.670 121.223 -0.066 0.000 2.693 221 L HA 0.493 4.838 4.340 0.009 0.000 0.235 221 L C -0.075 176.821 176.870 0.044 0.000 1.127 221 L CA -0.385 54.472 54.840 0.028 0.000 0.914 221 L CB 0.063 42.195 42.059 0.122 0.000 1.193 221 L HN 0.537 nan 8.230 nan 0.000 0.502 222 F N -4.228 115.506 119.950 -0.359 0.000 2.817 222 F HA 0.463 4.995 4.527 0.008 0.000 0.317 222 F C 0.261 175.702 175.800 -0.598 0.000 1.168 222 F CA -0.998 56.714 58.000 -0.480 0.000 0.911 222 F CB 0.781 39.682 39.000 -0.166 0.000 1.337 222 F HN -0.173 nan 8.300 nan 0.000 0.464 223 H N -0.712 118.409 119.070 0.085 0.000 2.824 223 H HA 0.439 5.000 4.556 0.009 0.000 0.238 223 H C -0.117 175.236 175.328 0.042 0.000 0.931 223 H CA 0.013 56.034 56.048 -0.044 0.000 1.090 223 H CB 0.796 30.542 29.762 -0.027 0.000 1.433 223 H HN 0.421 nan 8.280 nan 0.000 0.437 224 R N 0.338 121.016 120.500 0.298 0.000 2.888 224 R HA 0.752 5.097 4.340 0.009 0.000 0.266 224 R C -1.145 175.432 176.300 0.462 0.000 1.020 224 R CA -0.641 55.626 56.100 0.278 0.000 0.963 224 R CB 2.755 33.046 30.300 -0.014 0.000 1.197 224 R HN 0.177 nan 8.270 nan 0.000 0.481 225 A N 0.867 123.971 122.820 0.474 0.000 2.549 225 A HA 0.669 4.995 4.320 0.009 0.000 0.297 225 A C -1.513 176.217 177.584 0.244 0.000 1.061 225 A CA -0.620 51.622 52.037 0.342 0.000 0.690 225 A CB 1.902 21.075 19.000 0.288 0.000 1.287 225 A HN 0.339 nan 8.150 nan 0.000 0.402 226 V N 2.111 122.131 119.914 0.176 0.000 2.483 226 V HA 0.481 4.606 4.120 0.009 0.000 0.297 226 V C -1.202 174.992 176.094 0.167 0.000 1.027 226 V CA -0.255 62.092 62.300 0.077 0.000 0.855 226 V CB 1.278 33.165 31.823 0.107 0.000 0.995 226 V HN 0.687 nan 8.190 nan 0.000 0.424 227 L N 5.412 126.705 121.223 0.116 0.000 2.318 227 L HA 0.518 4.864 4.340 0.009 0.000 0.277 227 L C 0.026 177.007 176.870 0.185 0.000 1.008 227 L CA 0.037 54.947 54.840 0.117 0.000 0.846 227 L CB 1.532 43.616 42.059 0.041 0.000 1.220 227 L HN 0.618 nan 8.230 nan 0.000 0.423 228 Q N 2.104 122.063 119.800 0.266 0.000 2.368 228 Q HA 0.435 4.781 4.340 0.009 0.000 0.256 228 Q C 0.164 176.290 176.000 0.210 0.000 0.980 228 Q CA -0.506 55.502 55.803 0.342 0.000 0.887 228 Q CB 1.185 30.215 28.738 0.486 0.000 1.221 228 Q HN 0.614 nan 8.270 nan 0.000 0.458 229 S N 0.951 116.756 115.700 0.174 0.000 3.682 229 S HA -0.161 4.314 4.470 0.009 0.000 0.354 229 S C 0.058 174.819 174.600 0.269 0.000 1.034 229 S CA 0.503 58.823 58.200 0.200 0.000 1.084 229 S CB -1.231 62.086 63.200 0.194 0.000 0.903 229 S HN 0.985 nan 8.310 nan 0.000 0.470 230 G N -0.466 108.463 108.800 0.216 0.000 2.601 230 G HA2 0.737 4.703 3.960 0.009 0.000 0.291 230 G HA3 0.737 4.703 3.960 0.009 0.000 0.291 230 G C -0.947 174.026 174.900 0.121 0.000 1.456 230 G CA 0.173 45.446 45.100 0.289 0.000 0.804 230 G HN 0.948 nan 8.290 nan 0.000 0.499 231 T N -1.636 112.938 114.554 0.032 0.000 2.885 231 T HA 0.682 5.038 4.350 0.009 0.000 0.322 231 T C -2.434 172.140 174.700 -0.210 0.000 1.387 231 T CA -1.222 60.825 62.100 -0.089 0.000 1.041 231 T CB 2.832 71.637 68.868 -0.104 0.000 1.287 231 T HN 0.306 nan 8.240 nan 0.000 0.491 232 P HA -0.013 nan 4.420 nan 0.000 0.220 232 P C 0.338 177.496 177.300 -0.237 0.000 1.152 232 P CA 0.648 63.636 63.100 -0.187 0.000 0.812 232 P CB -0.082 31.559 31.700 -0.099 0.000 0.792 233 N N 0.799 119.383 118.700 -0.193 0.000 2.317 233 N HA 0.261 5.007 4.740 0.009 0.000 0.245 233 N C 0.755 176.091 175.510 -0.290 0.000 1.294 233 N CA 0.784 53.720 53.050 -0.190 0.000 0.924 233 N CB 0.052 38.469 38.487 -0.117 0.000 1.186 233 N HN 0.225 nan 8.380 nan 0.000 0.495 234 G N -0.913 107.733 108.800 -0.258 0.000 2.541 234 G HA2 -0.111 3.855 3.960 0.009 0.000 0.686 234 G HA3 -0.111 3.855 3.960 0.009 0.000 0.686 234 G C -2.250 172.437 174.900 -0.356 0.000 1.286 234 G CA -0.247 44.657 45.100 -0.327 0.000 0.894 234 G HN 0.523 nan 8.290 nan 0.000 0.575 235 P HA 0.093 nan 4.420 nan 0.000 0.233 235 P C 1.329 178.591 177.300 -0.064 0.000 1.167 235 P CA 2.037 65.019 63.100 -0.197 0.000 0.770 235 P CB -0.052 31.481 31.700 -0.278 0.000 0.837 236 W N -2.168 119.115 121.300 -0.028 0.000 2.741 236 W HA 0.584 5.249 4.660 0.008 0.000 0.317 236 W C 0.913 177.588 176.519 0.259 0.000 1.029 236 W CA 0.392 57.835 57.345 0.163 0.000 1.511 236 W CB -0.614 29.087 29.460 0.402 0.000 1.025 236 W HN -0.173 nan 8.180 nan 0.000 0.554 237 A N 2.009 124.500 122.820 -0.548 0.000 2.123 237 A HA 0.174 4.499 4.320 0.009 0.000 0.214 237 A C 1.123 178.535 177.584 -0.286 0.000 1.152 237 A CA 1.776 53.545 52.037 -0.448 0.000 0.728 237 A CB -0.682 17.834 19.000 -0.806 0.000 0.814 237 A HN 0.231 nan 8.150 nan 0.000 0.464 238 T N -3.403 111.022 114.554 -0.216 0.000 2.838 238 T HA 0.629 4.984 4.350 0.009 0.000 0.292 238 T C -0.777 173.850 174.700 -0.122 0.000 1.113 238 T CA -0.149 61.834 62.100 -0.195 0.000 1.008 238 T CB 1.494 70.256 68.868 -0.176 0.000 1.259 238 T HN 0.729 nan 8.240 nan 0.000 0.520 239 V N -0.912 118.937 119.914 -0.109 0.000 2.841 239 V HA 0.822 4.947 4.120 0.009 0.000 0.310 239 V C 0.378 176.436 176.094 -0.060 0.000 1.090 239 V CA -0.967 61.287 62.300 -0.077 0.000 0.930 239 V CB 1.233 33.013 31.823 -0.073 0.000 1.014 239 V HN 1.356 nan 8.190 nan 0.000 0.425 240 S N 2.699 118.369 115.700 -0.049 0.000 2.568 240 S HA 0.418 4.893 4.470 0.009 0.000 0.282 240 S C 1.519 176.101 174.600 -0.029 0.000 1.338 240 S CA 0.227 58.406 58.200 -0.036 0.000 1.045 240 S CB 1.209 64.389 63.200 -0.033 0.000 0.873 240 S HN 1.992 nan 8.310 nan 0.000 0.516 241 A N 3.726 126.534 122.820 -0.020 0.000 1.927 241 A HA 0.006 4.332 4.320 0.009 0.000 0.220 241 A C 2.228 179.803 177.584 -0.015 0.000 1.185 241 A CA 2.047 54.077 52.037 -0.012 0.000 0.639 241 A CB -1.823 17.174 19.000 -0.007 0.000 0.820 241 A HN 1.235 nan 8.150 nan 0.000 0.451 242 G N -0.817 107.972 108.800 -0.018 0.000 2.408 242 G HA2 -0.157 3.809 3.960 0.009 0.000 0.217 242 G HA3 -0.157 3.809 3.960 0.009 0.000 0.217 242 G C 1.463 176.348 174.900 -0.024 0.000 1.150 242 G CA 1.303 46.391 45.100 -0.019 0.000 0.776 242 G HN 0.585 nan 8.290 nan 0.000 0.542 243 E N 1.268 121.450 120.200 -0.031 0.000 2.047 243 E HA 0.058 4.413 4.350 0.009 0.000 0.191 243 E C 2.669 179.241 176.600 -0.047 0.000 0.987 243 E CA 1.459 57.833 56.400 -0.043 0.000 0.799 243 E CB -0.676 28.993 29.700 -0.051 0.000 0.752 243 E HN 0.234 nan 8.360 nan 0.000 0.449 244 A N 0.982 123.781 122.820 -0.036 0.000 1.948 244 A HA -0.244 4.082 4.320 0.009 0.000 0.220 244 A C 2.315 179.905 177.584 0.011 0.000 1.177 244 A CA 1.969 53.998 52.037 -0.013 0.000 0.636 244 A CB -0.676 18.329 19.000 0.008 0.000 0.815 244 A HN 0.297 nan 8.150 nan 0.000 0.449 245 R N -0.792 119.705 120.500 -0.005 0.000 2.073 245 R HA -0.067 4.278 4.340 0.009 0.000 0.229 245 R C 2.448 178.742 176.300 -0.009 0.000 1.120 245 R CA 1.280 57.376 56.100 -0.007 0.000 0.967 245 R CB -0.298 29.994 30.300 -0.014 0.000 0.862 245 R HN 0.521 nan 8.270 nan 0.000 0.436 246 R N 0.441 120.930 120.500 -0.018 0.000 2.083 246 R HA -0.132 4.213 4.340 0.009 0.000 0.237 246 R C 2.275 178.565 176.300 -0.016 0.000 1.137 246 R CA 1.889 57.977 56.100 -0.021 0.000 0.951 246 R CB -0.090 30.192 30.300 -0.030 0.000 0.851 246 R HN 0.245 nan 8.270 nan 0.000 0.434 247 R N -0.376 120.105 120.500 -0.032 0.000 2.096 247 R HA -0.078 4.268 4.340 0.009 0.000 0.235 247 R C 2.286 178.647 176.300 0.101 0.000 1.127 247 R CA 1.367 57.438 56.100 -0.049 0.000 0.968 247 R CB -0.287 29.871 30.300 -0.236 0.000 0.861 247 R HN 0.247 nan 8.270 nan 0.000 0.440 248 A N 0.355 123.263 122.820 0.147 0.000 1.930 248 A HA -0.106 4.220 4.320 0.009 0.000 0.217 248 A C 2.086 179.680 177.584 0.016 0.000 1.175 248 A CA 1.654 53.770 52.037 0.131 0.000 0.627 248 A CB -0.557 18.459 19.000 0.027 0.000 0.815 248 A HN 0.256 nan 8.150 nan 0.000 0.443 249 T N 0.178 114.733 114.554 0.002 0.000 2.777 249 T HA -0.100 4.256 4.350 0.009 0.000 0.266 249 T C 1.827 176.522 174.700 -0.008 0.000 1.040 249 T CA 1.368 63.457 62.100 -0.018 0.000 1.141 249 T CB -0.338 68.519 68.868 -0.019 0.000 0.868 249 T HN 0.289 nan 8.240 nan 0.000 0.444 250 L N 1.294 122.523 121.223 0.010 0.000 2.017 250 L HA 0.094 4.439 4.340 0.009 0.000 0.208 250 L C 2.205 179.091 176.870 0.027 0.000 1.073 250 L CA 1.487 56.337 54.840 0.015 0.000 0.745 250 L CB -1.124 40.945 42.059 0.015 0.000 0.894 250 L HN 0.233 nan 8.230 nan 0.000 0.432 251 L N -0.484 120.779 121.223 0.067 0.000 2.012 251 L HA -0.167 4.179 4.340 0.009 0.000 0.210 251 L C 2.537 179.393 176.870 -0.024 0.000 1.073 251 L CA 1.829 56.707 54.840 0.063 0.000 0.748 251 L CB -0.623 41.526 42.059 0.150 0.000 0.891 251 L HN 0.332 nan 8.230 nan 0.000 0.431 252 A N -0.089 122.706 122.820 -0.042 0.000 1.873 252 A HA -0.290 4.036 4.320 0.009 0.000 0.218 252 A C 2.363 179.912 177.584 -0.058 0.000 1.193 252 A CA 2.153 54.151 52.037 -0.065 0.000 0.629 252 A CB -0.709 18.250 19.000 -0.069 0.000 0.826 252 A HN 0.504 nan 8.150 nan 0.000 0.447 253 R N -0.671 119.803 120.500 -0.043 0.000 2.083 253 R HA -0.125 4.220 4.340 0.009 0.000 0.237 253 R C 2.144 178.405 176.300 -0.065 0.000 1.137 253 R CA 1.637 57.713 56.100 -0.041 0.000 0.951 253 R CB -0.682 29.603 30.300 -0.025 0.000 0.851 253 R HN 0.568 nan 8.270 nan 0.000 0.434 254 L N 0.752 121.926 121.223 -0.081 0.000 2.079 254 L HA -0.151 4.194 4.340 0.009 0.000 0.210 254 L C 2.275 178.956 176.870 -0.316 0.000 1.081 254 L CA 1.164 55.910 54.840 -0.158 0.000 0.752 254 L CB -0.515 41.473 42.059 -0.118 0.000 0.896 254 L HN 0.187 nan 8.230 nan 0.000 0.433 255 V N -3.579 116.179 119.914 -0.260 0.000 3.647 255 V HA 0.444 4.570 4.120 0.009 0.000 0.279 255 V C 0.984 177.021 176.094 -0.095 0.000 1.314 255 V CA 0.246 62.415 62.300 -0.217 0.000 1.125 255 V CB -0.319 31.421 31.823 -0.139 0.000 0.907 255 V HN 0.478 nan 8.190 nan 0.000 0.434 256 G N -0.486 108.268 108.800 -0.077 0.000 2.842 256 G HA2 -0.115 3.850 3.960 0.009 0.000 0.242 256 G HA3 -0.115 3.850 3.960 0.009 0.000 0.242 256 G C -0.360 174.523 174.900 -0.029 0.000 1.135 256 G CA -0.276 44.800 45.100 -0.041 0.000 1.048 256 G HN 0.816 nan 8.290 nan 0.000 0.530 266 D N 1.463 121.852 120.400 -0.019 0.000 2.144 266 D HA -0.082 4.564 4.640 0.009 0.000 0.200 266 D C 1.507 177.792 176.300 -0.024 0.000 0.978 266 D CA 1.728 55.711 54.000 -0.028 0.000 0.833 266 D CB 0.121 40.904 40.800 -0.029 0.000 0.961 266 D HN 0.593 nan 8.370 nan 0.000 0.470 267 T N 0.794 115.341 114.554 -0.012 0.000 2.635 267 T HA -0.212 4.143 4.350 0.009 0.000 0.267 267 T C 1.782 176.481 174.700 -0.001 0.000 1.040 267 T CA 1.442 63.541 62.100 -0.002 0.000 1.156 267 T CB -0.304 68.565 68.868 0.003 0.000 0.863 267 T HN 0.279 nan 8.240 nan 0.000 0.430 268 E N 0.214 120.411 120.200 -0.005 0.000 2.118 268 E HA -0.159 4.196 4.350 0.009 0.000 0.195 268 E C 2.152 178.747 176.600 -0.008 0.000 0.992 268 E CA 0.919 57.317 56.400 -0.004 0.000 0.804 268 E CB -0.159 29.538 29.700 -0.006 0.000 0.741 268 E HN 0.294 nan 8.360 nan 0.000 0.458 269 L N 0.613 121.823 121.223 -0.021 0.000 1.988 269 L HA -0.151 4.194 4.340 0.009 0.000 0.207 269 L C 2.247 179.092 176.870 -0.041 0.000 1.071 269 L CA 1.516 56.334 54.840 -0.036 0.000 0.744 269 L CB -0.319 41.708 42.059 -0.054 0.000 0.893 269 L HN 0.156 nan 8.230 nan 0.000 0.433 270 I N -0.383 120.157 120.570 -0.050 0.000 2.286 270 I HA -0.304 3.871 4.170 0.009 0.000 0.248 270 I C 2.599 178.754 176.117 0.063 0.000 1.115 270 I CA 1.196 62.476 61.300 -0.035 0.000 1.392 270 I CB -0.709 37.266 38.000 -0.040 0.000 1.065 270 I HN 0.357 nan 8.210 nan 0.000 0.418 271 A N -0.148 122.697 122.820 0.042 0.000 1.892 271 A HA -0.330 3.995 4.320 0.009 0.000 0.218 271 A C 2.555 180.167 177.584 0.048 0.000 1.188 271 A CA 2.157 54.223 52.037 0.048 0.000 0.631 271 A CB -1.475 17.541 19.000 0.027 0.000 0.822 271 A HN 0.634 nan 8.150 nan 0.000 0.447 272 c N -0.528 118.089 118.600 0.029 0.000 2.413 272 c HA -0.097 4.478 4.570 0.009 0.000 0.278 272 c C 2.582 176.698 174.090 0.043 0.000 1.224 272 c CA 1.272 57.615 56.329 0.023 0.000 1.732 272 c CB -1.654 40.858 42.510 0.004 0.000 2.050 272 c HN 0.610 nan 8.230 nan 0.000 0.463 273 L N 0.419 121.673 121.223 0.051 0.000 2.034 273 L HA -0.255 4.090 4.340 0.009 0.000 0.217 273 L C 3.017 179.997 176.870 0.183 0.000 1.077 273 L CA 2.125 57.029 54.840 0.108 0.000 0.769 273 L CB -0.698 41.412 42.059 0.085 0.000 0.890 273 L HN 0.422 nan 8.230 nan 0.000 0.435 274 R N -0.776 119.846 120.500 0.203 0.000 2.241 274 R HA -0.117 4.228 4.340 0.009 0.000 0.224 274 R C 1.985 178.310 176.300 0.041 0.000 1.101 274 R CA 1.634 57.802 56.100 0.113 0.000 0.995 274 R CB -0.284 30.075 30.300 0.098 0.000 0.870 274 R HN 0.564 nan 8.270 nan 0.000 0.463 275 T N -2.097 112.484 114.554 0.045 0.000 3.086 275 T HA 0.165 4.520 4.350 0.009 0.000 0.250 275 T C 0.793 175.507 174.700 0.023 0.000 1.074 275 T CA -0.330 61.784 62.100 0.025 0.000 0.988 275 T CB 0.239 69.121 68.868 0.022 0.000 0.988 275 T HN -0.155 nan 8.240 nan 0.000 0.530 276 R N 2.723 123.243 120.500 0.033 0.000 2.490 276 R HA 0.414 4.759 4.340 0.009 0.000 0.280 276 R C -2.709 173.604 176.300 0.022 0.000 1.077 276 R CA -2.534 53.586 56.100 0.032 0.000 1.065 276 R CB -0.049 30.275 30.300 0.039 0.000 1.003 276 R HN 0.246 nan 8.270 nan 0.000 0.470 277 P HA 0.011 nan 4.420 nan 0.000 0.269 277 P C 0.269 177.551 177.300 -0.030 0.000 1.209 277 P CA 0.144 63.236 63.100 -0.012 0.000 0.776 277 P CB 0.603 32.306 31.700 0.005 0.000 0.876 278 A N 2.397 125.131 122.820 -0.143 0.000 1.873 278 A HA -0.300 4.025 4.320 0.009 0.000 0.218 278 A C 2.193 179.680 177.584 -0.163 0.000 1.193 278 A CA 2.121 54.015 52.037 -0.237 0.000 0.629 278 A CB -1.510 16.852 19.000 -1.063 0.000 0.826 278 A HN 0.543 nan 8.150 nan 0.000 0.447 279 Q N -0.103 119.572 119.800 -0.209 0.000 2.096 279 Q HA -0.200 4.145 4.340 0.009 0.000 0.204 279 Q C 1.760 177.834 176.000 0.123 0.000 0.982 279 Q CA 2.014 57.864 55.803 0.078 0.000 0.850 279 Q CB -0.502 28.331 28.738 0.158 0.000 0.901 279 Q HN 0.668 nan 8.270 nan 0.000 0.422 280 D N -0.614 119.844 120.400 0.096 0.000 2.133 280 D HA -0.198 4.447 4.640 0.009 0.000 0.192 280 D C 1.802 178.231 176.300 0.215 0.000 1.001 280 D CA 1.500 55.592 54.000 0.153 0.000 0.844 280 D CB -0.065 40.808 40.800 0.121 0.000 0.944 280 D HN 0.333 nan 8.370 nan 0.000 0.447 281 L N 0.133 121.432 121.223 0.126 0.000 2.056 281 L HA -0.154 4.191 4.340 0.009 0.000 0.207 281 L C 2.733 179.654 176.870 0.086 0.000 1.078 281 L CA 0.527 55.404 54.840 0.061 0.000 0.749 281 L CB -0.430 41.540 42.059 -0.149 0.000 0.901 281 L HN -0.048 nan 8.230 nan 0.000 0.433 282 V N -0.266 119.745 119.914 0.160 0.000 2.407 282 V HA -0.281 3.845 4.120 0.009 0.000 0.248 282 V C 1.923 178.124 176.094 0.177 0.000 1.055 282 V CA 1.789 64.233 62.300 0.239 0.000 1.049 282 V CB -0.609 31.469 31.823 0.425 0.000 0.662 282 V HN 0.421 nan 8.190 nan 0.000 0.455 283 D N -0.785 119.674 120.400 0.098 0.000 2.309 283 D HA -0.121 4.524 4.640 0.009 0.000 0.212 283 D C 1.787 177.866 176.300 -0.368 0.000 0.968 283 D CA 1.273 55.219 54.000 -0.090 0.000 0.882 283 D CB -0.175 40.522 40.800 -0.172 0.000 0.918 283 D HN 0.655 nan 8.370 nan 0.000 0.503 284 H N -0.844 118.208 119.070 -0.029 0.000 2.874 284 H HA 0.112 4.673 4.556 0.009 0.000 0.264 284 H C 1.631 176.890 175.328 -0.114 0.000 1.007 284 H CA 0.201 56.185 56.048 -0.106 0.000 1.207 284 H CB 0.382 30.177 29.762 0.055 0.000 1.487 284 H HN 0.220 nan 8.280 nan 0.000 0.505 285 E N 0.567 120.752 120.200 -0.026 0.000 2.267 285 E HA -0.218 4.138 4.350 0.009 0.000 0.197 285 E C 0.726 177.143 176.600 -0.306 0.000 0.998 285 E CA 1.098 57.446 56.400 -0.087 0.000 0.830 285 E CB -0.279 29.331 29.700 -0.151 0.000 0.751 285 E HN 0.594 nan 8.360 nan 0.000 0.491 286 W N 0.335 121.554 121.300 -0.134 0.000 2.658 286 W HA 0.060 4.725 4.660 0.008 0.000 0.263 286 W C 1.871 178.382 176.519 -0.013 0.000 1.274 286 W CA 0.208 57.458 57.345 -0.160 0.000 1.343 286 W CB 0.114 29.398 29.460 -0.294 0.000 1.106 286 W HN 0.164 nan 8.180 nan 0.000 0.615 287 H N -0.537 118.650 119.070 0.196 0.000 2.555 287 H HA 0.012 4.573 4.556 0.009 0.000 0.269 287 H C 2.116 177.496 175.328 0.085 0.000 0.988 287 H CA 0.589 56.723 56.048 0.143 0.000 1.178 287 H CB -0.743 29.125 29.762 0.176 0.000 1.373 287 H HN 0.043 nan 8.280 nan 0.000 0.588 288 V N 0.495 120.501 119.914 0.153 0.000 2.515 288 V HA -0.125 4.001 4.120 0.009 0.000 0.250 288 V C 1.211 177.311 176.094 0.010 0.000 1.058 288 V CA 1.077 63.409 62.300 0.054 0.000 1.064 288 V CB -0.176 31.630 31.823 -0.029 0.000 0.675 288 V HN 0.186 nan 8.190 nan 0.000 0.461 289 L N 0.687 121.920 121.223 0.016 0.000 2.387 289 L HA 0.293 4.639 4.340 0.009 0.000 0.259 289 L C -1.677 175.225 176.870 0.053 0.000 1.050 289 L CA -1.391 53.455 54.840 0.009 0.000 0.922 289 L CB 1.151 43.191 42.059 -0.031 0.000 1.280 289 L HN 0.089 nan 8.230 nan 0.000 0.449 290 P HA -0.197 nan 4.420 nan 0.000 0.216 290 P C -0.077 177.243 177.300 0.033 0.000 1.153 290 P CA 0.908 64.038 63.100 0.049 0.000 0.858 290 P CB 0.043 31.758 31.700 0.024 0.000 0.789 291 Q N 1.117 120.928 119.800 0.017 0.000 3.953 291 Q HA -0.183 4.162 4.340 0.009 0.000 0.399 291 Q C -0.253 175.754 176.000 0.012 0.000 1.023 291 Q CA 0.675 56.482 55.803 0.007 0.000 1.305 291 Q CB -0.880 27.853 28.738 -0.007 0.000 1.091 291 Q HN 0.427 nan 8.270 nan 0.000 0.491 292 E N 1.840 122.048 120.200 0.012 0.000 2.328 292 E HA 0.186 4.542 4.350 0.009 0.000 0.265 292 E C -0.476 176.132 176.600 0.014 0.000 1.057 292 E CA 0.079 56.490 56.400 0.017 0.000 0.916 292 E CB 0.742 30.453 29.700 0.018 0.000 0.993 292 E HN 0.443 nan 8.360 nan 0.000 0.446 293 S N 3.225 118.937 115.700 0.020 0.000 2.586 293 S HA 0.165 4.640 4.470 0.009 0.000 0.296 293 S C 0.453 175.078 174.600 0.041 0.000 1.120 293 S CA -0.731 57.481 58.200 0.020 0.000 0.927 293 S CB 0.410 63.603 63.200 -0.013 0.000 1.114 293 S HN 0.518 nan 8.310 nan 0.000 0.453 294 I N 2.507 123.148 120.570 0.118 0.000 2.163 294 I HA 0.026 4.201 4.170 0.009 0.000 0.240 294 I C 0.695 176.814 176.117 0.004 0.000 1.081 294 I CA 1.239 62.630 61.300 0.152 0.000 1.353 294 I CB -0.293 37.922 38.000 0.359 0.000 1.054 294 I HN 0.545 nan 8.210 nan 0.000 0.407 295 F N 2.702 122.418 119.950 -0.389 0.000 2.833 295 F HA 0.186 4.719 4.527 0.009 0.000 0.327 295 F C 1.434 176.695 175.800 -0.898 0.000 1.184 295 F CA -0.707 56.763 58.000 -0.883 0.000 1.328 295 F CB -1.030 37.538 39.000 -0.719 0.000 1.440 295 F HN 0.124 nan 8.300 nan 0.000 0.569 296 R N -0.005 120.288 120.500 -0.345 0.000 2.547 296 R HA 0.154 4.500 4.340 0.009 0.000 0.258 296 R C -0.477 175.739 176.300 -0.140 0.000 1.115 296 R CA -0.209 55.783 56.100 -0.179 0.000 1.152 296 R CB -1.187 29.114 30.300 0.002 0.000 1.221 296 R HN 0.205 nan 8.270 nan 0.000 0.539 297 F N -0.524 119.460 119.950 0.058 0.000 2.467 297 F HA 0.353 4.885 4.527 0.008 0.000 0.362 297 F C 0.780 176.470 175.800 -0.184 0.000 1.090 297 F CA -0.965 56.956 58.000 -0.132 0.000 1.202 297 F CB 1.012 40.035 39.000 0.039 0.000 1.113 297 F HN -0.121 nan 8.300 nan 0.000 0.541 298 S N 1.647 117.210 115.700 -0.227 0.000 2.470 298 S HA 0.172 4.648 4.470 0.009 0.000 0.222 298 S C -0.137 173.988 174.600 -0.792 0.000 1.024 298 S CA 0.041 57.884 58.200 -0.594 0.000 0.931 298 S CB -0.178 62.453 63.200 -0.948 0.000 0.791 298 S HN 0.485 nan 8.310 nan 0.000 0.513 299 F N 2.957 122.930 119.950 0.038 0.000 2.359 299 F HA 0.578 5.111 4.527 0.009 0.000 0.369 299 F C 0.047 175.843 175.800 -0.006 0.000 1.084 299 F CA -1.229 56.807 58.000 0.060 0.000 1.096 299 F CB 1.038 40.099 39.000 0.103 0.000 1.335 299 F HN -0.078 nan 8.300 nan 0.000 0.457 300 V N 0.030 119.898 119.914 -0.076 0.000 3.155 300 V HA 0.773 4.899 4.120 0.009 0.000 0.313 300 V C -2.803 172.935 176.094 -0.595 0.000 1.162 300 V CA -3.467 58.464 62.300 -0.616 0.000 1.048 300 V CB 1.903 33.515 31.823 -0.351 0.000 1.092 300 V HN 0.187 nan 8.190 nan 0.000 0.447 301 P HA 0.101 nan 4.420 nan 0.000 0.261 301 P C -0.556 176.607 177.300 -0.229 0.000 1.173 301 P CA 0.549 63.378 63.100 -0.451 0.000 0.760 301 P CB 0.447 31.811 31.700 -0.560 0.000 0.783 302 V N 5.617 125.471 119.914 -0.100 0.000 2.472 302 V HA 0.175 4.301 4.120 0.009 0.000 0.290 302 V C -0.105 175.965 176.094 -0.040 0.000 1.037 302 V CA -0.724 61.543 62.300 -0.055 0.000 0.908 302 V CB 1.611 33.431 31.823 -0.005 0.000 0.985 302 V HN 0.167 nan 8.190 nan 0.000 0.454 303 V N 7.802 127.696 119.914 -0.034 0.000 2.324 303 V HA 0.163 4.289 4.120 0.009 0.000 0.244 303 V C 0.792 176.892 176.094 0.009 0.000 1.144 303 V CA 0.286 62.581 62.300 -0.008 0.000 1.158 303 V CB -0.178 31.634 31.823 -0.018 0.000 1.254 303 V HN 1.050 nan 8.190 nan 0.000 0.492 304 D N 2.443 122.862 120.400 0.032 0.000 2.349 304 D HA 0.138 4.783 4.640 0.009 0.000 0.214 304 D C 1.544 177.867 176.300 0.039 0.000 1.063 304 D CA 0.486 54.507 54.000 0.036 0.000 0.847 304 D CB 0.428 41.258 40.800 0.049 0.000 0.933 304 D HN 0.645 nan 8.370 nan 0.000 0.513 305 G N 0.718 109.542 108.800 0.040 0.000 2.166 305 G HA2 -0.348 3.617 3.960 0.009 0.000 0.260 305 G HA3 -0.348 3.617 3.960 0.009 0.000 0.260 305 G C 0.442 175.367 174.900 0.042 0.000 0.986 305 G CA 0.863 45.983 45.100 0.034 0.000 0.683 305 G HN 0.534 nan 8.290 nan 0.000 0.527 306 D N -1.600 118.842 120.400 0.070 0.000 3.074 306 D HA 0.221 4.866 4.640 0.009 0.000 0.227 306 D C 1.750 178.109 176.300 0.097 0.000 1.553 306 D CA 0.400 54.445 54.000 0.076 0.000 1.347 306 D CB -0.548 40.306 40.800 0.089 0.000 1.021 306 D HN 0.080 nan 8.370 nan 0.000 0.260 307 F N 1.122 121.078 119.950 0.011 0.000 2.102 307 F HA 0.213 4.745 4.527 0.008 0.000 0.298 307 F C 0.604 176.402 175.800 -0.002 0.000 1.105 307 F CA 1.128 59.133 58.000 0.008 0.000 1.239 307 F CB 0.131 39.133 39.000 0.003 0.000 0.991 307 F HN -0.028 nan 8.300 nan 0.000 0.474 308 L N 0.854 122.260 121.223 0.305 0.000 2.283 308 L HA 0.192 4.537 4.340 0.009 0.000 0.281 308 L C 1.440 178.361 176.870 0.085 0.000 1.033 308 L CA -0.206 54.735 54.840 0.169 0.000 0.848 308 L CB 1.258 43.394 42.059 0.127 0.000 1.226 308 L HN 0.087 nan 8.230 nan 0.000 0.429 309 S N 0.534 116.264 115.700 0.051 0.000 2.442 309 S HA -0.067 4.408 4.470 0.009 0.000 0.236 309 S C 0.456 175.071 174.600 0.024 0.000 1.007 309 S CA 0.771 58.988 58.200 0.029 0.000 0.965 309 S CB 0.043 63.251 63.200 0.013 0.000 0.773 309 S HN 0.722 nan 8.310 nan 0.000 0.504 310 D N -0.270 120.146 120.400 0.027 0.000 2.692 310 D HA 0.301 4.946 4.640 0.009 0.000 0.290 310 D C -0.824 175.484 176.300 0.013 0.000 1.281 310 D CA 0.088 54.097 54.000 0.016 0.000 0.804 310 D CB 1.289 42.097 40.800 0.013 0.000 1.331 310 D HN 0.174 nan 8.370 nan 0.000 0.432 311 T N -0.481 114.073 114.554 0.000 0.000 2.937 311 T HA 0.209 4.565 4.350 0.009 0.000 0.316 311 T C -1.765 172.931 174.700 -0.005 0.000 1.079 311 T CA -0.466 61.626 62.100 -0.014 0.000 1.131 311 T CB 0.974 69.828 68.868 -0.023 0.000 1.000 311 T HN 0.127 nan 8.240 nan 0.000 0.549 312 P HA -0.071 nan 4.420 nan 0.000 0.215 312 P C 1.427 178.727 177.300 -0.000 0.000 1.153 312 P CA 1.123 64.216 63.100 -0.012 0.000 0.853 312 P CB 0.045 31.711 31.700 -0.057 0.000 0.788 313 E N -0.274 119.914 120.200 -0.020 0.000 2.065 313 E HA -0.234 4.122 4.350 0.009 0.000 0.201 313 E C 2.142 178.753 176.600 0.019 0.000 1.016 313 E CA 1.912 58.308 56.400 -0.006 0.000 0.818 313 E CB -1.089 28.600 29.700 -0.018 0.000 0.749 313 E HN 0.143 nan 8.360 nan 0.000 0.453 314 A N 0.512 123.342 122.820 0.016 0.000 1.883 314 A HA -0.189 4.136 4.320 0.009 0.000 0.217 314 A C 2.209 179.820 177.584 0.045 0.000 1.186 314 A CA 1.535 53.586 52.037 0.023 0.000 0.624 314 A CB -0.770 18.237 19.000 0.013 0.000 0.822 314 A HN 0.217 nan 8.150 nan 0.000 0.444 315 L N -0.244 121.015 121.223 0.060 0.000 2.291 315 L HA -0.069 4.276 4.340 0.009 0.000 0.214 315 L C 2.432 179.419 176.870 0.195 0.000 1.120 315 L CA 1.201 56.101 54.840 0.100 0.000 0.799 315 L CB -0.562 41.558 42.059 0.103 0.000 0.925 315 L HN 0.696 nan 8.230 nan 0.000 0.446 316 I N -2.961 117.714 120.570 0.175 0.000 3.059 316 I HA -0.018 4.157 4.170 0.009 0.000 0.270 316 I C 1.411 177.667 176.117 0.232 0.000 1.238 316 I CA 0.946 62.397 61.300 0.251 0.000 1.478 316 I CB -0.179 37.877 38.000 0.093 0.000 1.097 316 I HN 0.124 nan 8.210 nan 0.000 0.455 317 N N 1.090 119.869 118.700 0.132 0.000 2.336 317 N HA 0.009 4.755 4.740 0.009 0.000 0.189 317 N C 1.289 176.836 175.510 0.062 0.000 1.113 317 N CA 1.298 54.404 53.050 0.092 0.000 0.858 317 N CB 0.316 38.837 38.487 0.057 0.000 0.970 317 N HN 0.670 nan 8.380 nan 0.000 0.471 318 T N -4.256 110.328 114.554 0.050 0.000 3.192 318 T HA 0.303 4.658 4.350 0.009 0.000 0.295 318 T C 0.716 175.360 174.700 -0.093 0.000 0.947 318 T CA -0.483 61.610 62.100 -0.011 0.000 0.916 318 T CB 0.102 68.964 68.868 -0.010 0.000 1.169 318 T HN 0.003 nan 8.240 nan 0.000 0.540 319 G N 0.542 109.245 108.800 -0.162 0.000 2.476 319 G HA2 0.493 4.458 3.960 0.009 0.000 0.286 319 G HA3 0.493 4.458 3.960 0.009 0.000 0.286 319 G C -1.295 173.123 174.900 -0.803 0.000 1.177 319 G CA -0.529 44.230 45.100 -0.568 0.000 0.870 319 G HN 0.291 nan 8.290 nan 0.000 0.528 320 D N 0.173 120.103 120.400 -0.783 0.000 2.443 320 D HA 0.372 5.018 4.640 0.009 0.000 0.221 320 D C -0.384 175.576 176.300 -0.567 0.000 1.097 320 D CA -0.552 53.139 54.000 -0.514 0.000 0.865 320 D CB 0.255 40.901 40.800 -0.257 0.000 1.034 320 D HN 0.102 nan 8.370 nan 0.000 0.511 321 F N 2.374 122.334 119.950 0.017 0.000 2.925 321 F HA 0.230 4.762 4.527 0.009 0.000 0.302 321 F C 1.897 177.711 175.800 0.024 0.000 1.189 321 F CA -0.490 57.525 58.000 0.024 0.000 1.346 321 F CB 0.157 39.181 39.000 0.040 0.000 0.954 321 F HN 0.317 nan 8.300 nan 0.000 0.506 322 Q N 1.526 121.380 119.800 0.090 0.000 2.133 322 Q HA -0.210 4.135 4.340 0.009 0.000 0.208 322 Q C 1.350 177.393 176.000 0.072 0.000 0.991 322 Q CA 2.148 57.988 55.803 0.062 0.000 0.867 322 Q CB -0.143 28.603 28.738 0.015 0.000 0.911 322 Q HN 0.477 nan 8.270 nan 0.000 0.417 323 D N -1.256 119.187 120.400 0.073 0.000 2.491 323 D HA 0.102 4.747 4.640 0.009 0.000 0.228 323 D C -0.577 175.766 176.300 0.072 0.000 1.183 323 D CA -0.196 53.835 54.000 0.053 0.000 0.827 323 D CB -0.069 40.746 40.800 0.024 0.000 0.989 323 D HN 0.119 nan 8.370 nan 0.000 0.494 324 L N 0.622 121.914 121.223 0.115 0.000 2.381 324 L HA 0.400 4.746 4.340 0.009 0.000 0.274 324 L C -1.336 175.622 176.870 0.147 0.000 0.988 324 L CA -0.392 54.529 54.840 0.134 0.000 0.824 324 L CB 2.159 44.329 42.059 0.185 0.000 1.263 324 L HN -0.235 nan 8.230 nan 0.000 0.410 325 Q N 3.864 123.761 119.800 0.162 0.000 2.307 325 Q HA 0.741 5.087 4.340 0.009 0.000 0.262 325 Q C -1.258 175.027 176.000 0.476 0.000 0.961 325 Q CA -0.447 55.516 55.803 0.265 0.000 0.882 325 Q CB 2.357 31.179 28.738 0.140 0.000 1.264 325 Q HN 0.490 nan 8.270 nan 0.000 0.446 326 V N 2.276 122.435 119.914 0.408 0.000 2.656 326 V HA 0.527 4.653 4.120 0.009 0.000 0.307 326 V C -1.154 174.911 176.094 -0.049 0.000 1.051 326 V CA -0.993 61.439 62.300 0.219 0.000 0.893 326 V CB 1.735 33.607 31.823 0.081 0.000 0.999 326 V HN 0.594 nan 8.190 nan 0.000 0.426 327 L N 6.048 127.003 121.223 -0.447 0.000 2.313 327 L HA 0.886 5.231 4.340 0.009 0.000 0.283 327 L C -0.398 176.364 176.870 -0.179 0.000 1.013 327 L CA -0.124 54.383 54.840 -0.555 0.000 0.816 327 L CB 1.628 42.923 42.059 -1.272 0.000 1.236 327 L HN 0.698 nan 8.230 nan 0.000 0.419 328 V N 1.921 121.810 119.914 -0.040 0.000 2.925 328 V HA 1.117 5.243 4.120 0.009 0.000 0.311 328 V C -0.243 175.649 176.094 -0.337 0.000 1.104 328 V CA 0.111 62.366 62.300 -0.075 0.000 0.954 328 V CB 1.175 32.925 31.823 -0.121 0.000 1.022 328 V HN 1.030 nan 8.190 nan 0.000 0.427 329 G N 0.883 109.328 108.800 -0.592 0.000 2.495 329 G HA2 0.806 4.771 3.960 0.009 0.000 0.294 329 G HA3 0.806 4.771 3.960 0.009 0.000 0.294 329 G C -1.212 173.371 174.900 -0.527 0.000 1.397 329 G CA 0.034 44.378 45.100 -1.260 0.000 0.790 329 G HN 2.060 nan 8.290 nan 0.000 0.486 330 V N -2.411 117.319 119.914 -0.306 0.000 3.160 330 V HA 0.923 5.049 4.120 0.009 0.000 0.310 330 V C 0.201 176.436 176.094 0.236 0.000 1.181 330 V CA -0.519 61.804 62.300 0.037 0.000 1.047 330 V CB 1.199 33.036 31.823 0.024 0.000 1.068 330 V HN 1.776 nan 8.190 nan 0.000 0.441 331 V N -0.644 119.425 119.914 0.259 0.000 2.834 331 V HA 0.656 4.781 4.120 0.009 0.000 0.313 331 V C 1.458 177.700 176.094 0.247 0.000 1.060 331 V CA -0.143 62.355 62.300 0.330 0.000 0.989 331 V CB 1.112 33.118 31.823 0.304 0.000 1.041 331 V HN 1.030 nan 8.190 nan 0.000 0.459 332 K N 0.756 121.307 120.400 0.251 0.000 2.059 332 K HA -0.160 4.165 4.320 0.009 0.000 0.212 332 K C 0.826 177.518 176.600 0.153 0.000 1.050 332 K CA 2.416 58.812 56.287 0.182 0.000 0.927 332 K CB -0.224 32.369 32.500 0.155 0.000 0.714 332 K HN 0.924 nan 8.250 nan 0.000 0.447 333 D N 0.448 120.933 120.400 0.141 0.000 2.634 333 D HA 0.032 4.677 4.640 0.009 0.000 0.318 333 D C 0.098 176.446 176.300 0.081 0.000 1.226 333 D CA -0.093 53.969 54.000 0.105 0.000 0.899 333 D CB 1.012 41.855 40.800 0.071 0.000 1.025 333 D HN 0.176 nan 8.370 nan 0.000 0.501 334 E N 0.481 120.751 120.200 0.116 0.000 2.118 334 E HA -0.131 4.225 4.350 0.009 0.000 0.195 334 E C 1.931 178.541 176.600 0.017 0.000 0.992 334 E CA 0.763 57.236 56.400 0.120 0.000 0.804 334 E CB 0.160 29.975 29.700 0.191 0.000 0.741 334 E HN 0.423 nan 8.360 nan 0.000 0.458 335 G N 1.019 109.865 108.800 0.078 0.000 2.603 335 G HA2 -0.158 3.807 3.960 0.009 0.000 0.214 335 G HA3 -0.158 3.807 3.960 0.009 0.000 0.214 335 G C 1.731 176.646 174.900 0.025 0.000 1.140 335 G CA 0.797 45.983 45.100 0.144 0.000 0.800 335 G HN 0.365 nan 8.290 nan 0.000 0.533 336 S N 0.318 116.000 115.700 -0.029 0.000 2.353 336 S HA -0.270 4.206 4.470 0.009 0.000 0.222 336 S C 2.128 176.647 174.600 -0.135 0.000 1.035 336 S CA 1.437 59.624 58.200 -0.022 0.000 1.025 336 S CB -0.920 62.229 63.200 -0.084 0.000 0.902 336 S HN 0.403 nan 8.310 nan 0.000 0.440 337 Y N 1.933 121.953 120.300 -0.466 0.000 2.181 337 Y HA -0.245 4.311 4.550 0.009 0.000 0.284 337 Y C 1.866 177.625 175.900 -0.235 0.000 1.179 337 Y CA 2.019 59.782 58.100 -0.562 0.000 1.179 337 Y CB -0.619 37.388 38.460 -0.754 0.000 0.973 337 Y HN 0.351 nan 8.280 nan 0.000 0.519 338 F N -0.947 119.114 119.950 0.186 0.000 2.259 338 F HA -0.161 4.371 4.527 0.008 0.000 0.298 338 F C 2.035 177.902 175.800 0.110 0.000 1.088 338 F CA 0.440 58.548 58.000 0.181 0.000 1.358 338 F CB -0.354 38.777 39.000 0.219 0.000 1.040 338 F HN -0.016 nan 8.300 nan 0.000 0.505 339 L N 0.265 121.560 121.223 0.120 0.000 2.079 339 L HA -0.192 4.154 4.340 0.009 0.000 0.210 339 L C 2.511 179.422 176.870 0.067 0.000 1.081 339 L CA 1.168 55.928 54.840 -0.134 0.000 0.752 339 L CB -1.119 40.493 42.059 -0.746 0.000 0.896 339 L HN 0.185 nan 8.230 nan 0.000 0.433 340 V N -4.200 115.795 119.914 0.136 0.000 2.970 340 V HA -0.194 3.932 4.120 0.009 0.000 0.260 340 V C 0.925 176.995 176.094 -0.040 0.000 1.100 340 V CA 0.749 63.126 62.300 0.129 0.000 1.122 340 V CB -1.192 30.704 31.823 0.121 0.000 0.721 340 V HN 0.266 nan 8.190 nan 0.000 0.483 341 Y N 2.465 122.802 120.300 0.063 0.000 2.736 341 Y HA 0.620 5.175 4.550 0.009 0.000 0.339 341 Y C 1.493 177.401 175.900 0.013 0.000 1.301 341 Y CA 0.265 58.372 58.100 0.012 0.000 1.676 341 Y CB 0.093 38.554 38.460 0.002 0.000 1.725 341 Y HN 0.396 nan 8.280 nan 0.000 0.466 342 G N 0.695 109.562 108.800 0.111 0.000 2.137 342 G HA2 -0.232 3.733 3.960 0.009 0.000 0.237 342 G HA3 -0.232 3.733 3.960 0.009 0.000 0.237 342 G C -0.528 174.441 174.900 0.116 0.000 1.002 342 G CA -0.066 45.088 45.100 0.090 0.000 0.702 342 G HN 0.338 nan 8.290 nan 0.000 0.515 343 V N 1.552 121.565 119.914 0.164 0.000 2.333 343 V HA 0.399 4.525 4.120 0.009 0.000 0.274 343 V C -1.600 174.680 176.094 0.311 0.000 1.028 343 V CA -1.726 60.706 62.300 0.219 0.000 0.851 343 V CB 1.477 33.413 31.823 0.189 0.000 1.000 343 V HN 0.132 nan 8.190 nan 0.000 0.456 344 P HA 0.274 nan 4.420 nan 0.000 0.264 344 P C 1.020 178.365 177.300 0.075 0.000 1.193 344 P CA 1.193 64.364 63.100 0.117 0.000 0.763 344 P CB 0.744 32.482 31.700 0.064 0.000 0.810 345 G N 1.552 110.335 108.800 -0.027 0.000 2.259 345 G HA2 -0.201 3.764 3.960 0.009 0.000 0.217 345 G HA3 -0.201 3.764 3.960 0.009 0.000 0.217 345 G C -0.182 174.475 174.900 -0.404 0.000 1.001 345 G CA -0.605 44.343 45.100 -0.253 0.000 0.627 345 G HN 0.402 nan 8.290 nan 0.000 0.501 346 F N 1.640 121.579 119.950 -0.019 0.000 2.421 346 F HA 0.797 5.329 4.527 0.009 0.000 0.337 346 F C 0.633 176.491 175.800 0.097 0.000 1.105 346 F CA -0.042 57.959 58.000 0.001 0.000 1.049 346 F CB 2.227 41.276 39.000 0.082 0.000 1.139 346 F HN 0.159 nan 8.300 nan 0.000 0.479 347 S N 1.315 117.220 115.700 0.343 0.000 2.547 347 S HA 0.256 4.731 4.470 0.009 0.000 0.270 347 S C 0.299 175.160 174.600 0.434 0.000 1.150 347 S CA -0.887 57.510 58.200 0.328 0.000 0.850 347 S CB 1.380 64.682 63.200 0.170 0.000 1.118 347 S HN 0.763 nan 8.310 nan 0.000 0.461 348 K N 1.100 121.656 120.400 0.259 0.000 2.365 348 K HA 0.077 4.402 4.320 0.009 0.000 0.199 348 K C 0.144 176.751 176.600 0.012 0.000 1.045 348 K CA 1.334 57.679 56.287 0.098 0.000 0.962 348 K CB -0.099 32.165 32.500 -0.394 0.000 0.759 348 K HN 0.440 nan 8.250 nan 0.000 0.469 349 D N 0.841 121.232 120.400 -0.015 0.000 2.360 349 D HA 0.015 4.660 4.640 0.009 0.000 0.210 349 D C -0.266 176.044 176.300 0.016 0.000 1.047 349 D CA 0.288 54.253 54.000 -0.058 0.000 0.854 349 D CB 0.141 40.883 40.800 -0.097 0.000 0.936 349 D HN 0.488 nan 8.370 nan 0.000 0.514 350 N N -0.995 117.752 118.700 0.078 0.000 2.902 350 N HA 0.085 4.830 4.740 0.009 0.000 0.268 350 N C 0.433 175.973 175.510 0.049 0.000 1.450 350 N CA -0.518 52.556 53.050 0.041 0.000 0.819 350 N CB 0.846 39.316 38.487 -0.028 0.000 1.540 350 N HN -0.437 nan 8.380 nan 0.000 0.545 351 E N -0.354 119.813 120.200 -0.055 0.000 2.463 351 E HA -0.046 4.309 4.350 0.009 0.000 0.201 351 E C -0.299 175.931 176.600 -0.618 0.000 1.045 351 E CA 0.547 56.840 56.400 -0.178 0.000 0.872 351 E CB -0.724 28.913 29.700 -0.104 0.000 0.797 351 E HN 0.598 nan 8.360 nan 0.000 0.538 352 S N -0.094 115.262 115.700 -0.573 0.000 3.533 352 S HA -0.198 4.277 4.470 0.009 0.000 0.347 352 S C 0.368 174.538 174.600 -0.717 0.000 1.101 352 S CA 0.213 57.959 58.200 -0.758 0.000 1.009 352 S CB -1.767 60.723 63.200 -1.184 0.000 0.916 352 S HN 0.310 nan 8.310 nan 0.000 0.496 353 L N 1.638 122.585 121.223 -0.460 0.000 2.477 353 L HA 0.324 4.670 4.340 0.009 0.000 0.272 353 L C 0.777 177.434 176.870 -0.355 0.000 1.157 353 L CA 0.116 54.749 54.840 -0.345 0.000 0.889 353 L CB -0.107 41.822 42.059 -0.218 0.000 1.158 353 L HN 0.405 nan 8.230 nan 0.000 0.473 354 I N 0.229 120.586 120.570 -0.355 0.000 2.947 354 I HA 0.660 4.835 4.170 0.009 0.000 0.314 354 I C 0.475 176.496 176.117 -0.159 0.000 1.028 354 I CA -0.641 60.476 61.300 -0.305 0.000 1.077 354 I CB 1.930 39.705 38.000 -0.375 0.000 1.274 354 I HN 0.564 nan 8.210 nan 0.000 0.485 355 S N 1.932 117.572 115.700 -0.100 0.000 2.672 355 S HA 0.416 4.891 4.470 0.009 0.000 0.276 355 S C 0.886 175.497 174.600 0.019 0.000 1.207 355 S CA -0.605 57.569 58.200 -0.043 0.000 1.002 355 S CB 1.713 64.894 63.200 -0.032 0.000 0.998 355 S HN 0.863 nan 8.310 nan 0.000 0.542 356 R N 0.671 121.190 120.500 0.033 0.000 2.105 356 R HA -0.123 4.223 4.340 0.009 0.000 0.239 356 R C 2.292 178.675 176.300 0.138 0.000 1.135 356 R CA 1.742 57.902 56.100 0.100 0.000 0.967 356 R CB -1.124 29.215 30.300 0.065 0.000 0.861 356 R HN 0.847 nan 8.270 nan 0.000 0.442 357 A N 0.497 123.362 122.820 0.075 0.000 1.883 357 A HA -0.232 4.094 4.320 0.009 0.000 0.217 357 A C 2.041 179.662 177.584 0.063 0.000 1.186 357 A CA 1.664 53.736 52.037 0.058 0.000 0.624 357 A CB -0.535 18.484 19.000 0.031 0.000 0.822 357 A HN 0.533 nan 8.150 nan 0.000 0.444 358 Q N -1.984 117.852 119.800 0.060 0.000 2.224 358 Q HA -0.098 4.247 4.340 0.009 0.000 0.203 358 Q C 1.830 177.918 176.000 0.148 0.000 0.970 358 Q CA 1.325 57.166 55.803 0.064 0.000 0.865 358 Q CB -0.247 28.488 28.738 -0.006 0.000 0.922 358 Q HN 0.812 nan 8.270 nan 0.000 0.445 359 F N 1.132 121.092 119.950 0.016 0.000 2.084 359 F HA -0.175 4.357 4.527 0.009 0.000 0.296 359 F C 1.762 177.589 175.800 0.045 0.000 1.111 359 F CA 1.024 59.047 58.000 0.039 0.000 1.224 359 F CB 0.066 39.070 39.000 0.007 0.000 0.991 359 F HN -0.058 nan 8.300 nan 0.000 0.471 360 L N 0.295 121.460 121.223 -0.098 0.000 2.127 360 L HA -0.187 4.158 4.340 0.009 0.000 0.211 360 L C 2.756 179.551 176.870 -0.126 0.000 1.089 360 L CA 1.067 55.798 54.840 -0.182 0.000 0.757 360 L CB -1.569 40.470 42.059 -0.035 0.000 0.899 360 L HN 0.254 nan 8.230 nan 0.000 0.434 361 A N 0.819 123.612 122.820 -0.044 0.000 1.930 361 A HA -0.036 4.289 4.320 0.009 0.000 0.217 361 A C 2.441 180.018 177.584 -0.011 0.000 1.175 361 A CA 1.527 53.556 52.037 -0.012 0.000 0.627 361 A CB -1.097 17.916 19.000 0.021 0.000 0.815 361 A HN 0.423 nan 8.150 nan 0.000 0.443 362 G N -0.840 107.961 108.800 0.002 0.000 2.448 362 G HA2 -0.005 3.960 3.960 0.009 0.000 0.218 362 G HA3 -0.005 3.960 3.960 0.009 0.000 0.218 362 G C 1.415 176.278 174.900 -0.061 0.000 1.135 362 G CA 1.073 46.193 45.100 0.032 0.000 0.784 362 G HN 0.291 nan 8.290 nan 0.000 0.543 363 V N 0.715 120.517 119.914 -0.188 0.000 2.453 363 V HA -0.085 4.041 4.120 0.009 0.000 0.247 363 V C 2.957 178.991 176.094 -0.100 0.000 1.048 363 V CA 1.330 63.508 62.300 -0.203 0.000 1.049 363 V CB -0.317 31.292 31.823 -0.356 0.000 0.672 363 V HN 0.173 nan 8.190 nan 0.000 0.457 364 R N 0.082 120.534 120.500 -0.079 0.000 2.081 364 R HA -0.013 4.332 4.340 0.009 0.000 0.235 364 R C 2.060 178.345 176.300 -0.025 0.000 1.131 364 R CA 1.525 57.600 56.100 -0.041 0.000 0.960 364 R CB -0.865 29.419 30.300 -0.027 0.000 0.856 364 R HN 0.475 nan 8.270 nan 0.000 0.436 365 I N -0.604 119.957 120.570 -0.015 0.000 2.233 365 I HA -0.091 4.084 4.170 0.009 0.000 0.243 365 I C 2.355 178.472 176.117 -0.001 0.000 1.093 365 I CA 1.409 62.712 61.300 0.004 0.000 1.380 365 I CB -0.727 37.291 38.000 0.029 0.000 1.067 365 I HN 0.207 nan 8.210 nan 0.000 0.413 366 G N 0.764 109.555 108.800 -0.015 0.000 2.432 366 G HA2 -0.109 3.856 3.960 0.009 0.000 0.219 366 G HA3 -0.109 3.856 3.960 0.009 0.000 0.219 366 G C 0.908 175.768 174.900 -0.067 0.000 1.135 366 G CA 0.534 45.611 45.100 -0.039 0.000 0.767 366 G HN 0.266 nan 8.290 nan 0.000 0.550 367 V N 1.959 121.837 119.914 -0.061 0.000 2.271 367 V HA 0.226 4.352 4.120 0.009 0.000 0.259 367 V C -1.489 174.584 176.094 -0.035 0.000 1.030 367 V CA -1.118 61.132 62.300 -0.083 0.000 0.957 367 V CB 1.452 33.211 31.823 -0.107 0.000 1.186 367 V HN 0.110 nan 8.190 nan 0.000 0.471 368 P HA -0.121 nan 4.420 nan 0.000 0.229 368 P C 1.271 178.566 177.300 -0.008 0.000 1.160 368 P CA 0.837 63.930 63.100 -0.012 0.000 0.777 368 P CB 0.378 32.071 31.700 -0.012 0.000 0.814 369 Q N -0.274 119.528 119.800 0.004 0.000 2.482 369 Q HA 0.129 4.475 4.340 0.009 0.000 0.209 369 Q C 0.607 176.605 176.000 -0.004 0.000 0.961 369 Q CA 0.242 56.048 55.803 0.005 0.000 0.945 369 Q CB -0.628 28.126 28.738 0.027 0.000 1.012 369 Q HN 0.074 nan 8.270 nan 0.000 0.515 370 A N 2.048 124.862 122.820 -0.010 0.000 2.320 370 A HA 0.435 4.760 4.320 0.009 0.000 0.287 370 A C 0.504 178.080 177.584 -0.013 0.000 1.181 370 A CA -0.222 51.807 52.037 -0.014 0.000 0.831 370 A CB 0.511 19.505 19.000 -0.011 0.000 1.102 370 A HN 0.441 nan 8.150 nan 0.000 0.513 371 S N 2.116 117.806 115.700 -0.018 0.000 2.612 371 S HA 0.059 4.534 4.470 0.009 0.000 0.253 371 S C 0.417 175.016 174.600 -0.002 0.000 1.346 371 S CA 0.577 58.770 58.200 -0.013 0.000 0.976 371 S CB 0.183 63.371 63.200 -0.019 0.000 0.949 371 S HN 0.621 nan 8.310 nan 0.000 0.584 372 D N 0.070 120.472 120.400 0.003 0.000 2.117 372 D HA -0.047 4.598 4.640 0.009 0.000 0.197 372 D C 1.762 178.078 176.300 0.026 0.000 0.987 372 D CA 0.982 54.989 54.000 0.013 0.000 0.829 372 D CB -0.434 40.374 40.800 0.014 0.000 0.961 372 D HN 0.398 nan 8.370 nan 0.000 0.460 373 L N 0.499 121.737 121.223 0.025 0.000 2.083 373 L HA -0.027 4.318 4.340 0.009 0.000 0.209 373 L C 1.961 178.867 176.870 0.060 0.000 1.083 373 L CA 1.588 56.454 54.840 0.043 0.000 0.752 373 L CB -0.718 41.361 42.059 0.033 0.000 0.899 373 L HN 0.005 nan 8.230 nan 0.000 0.433 374 A N -0.512 122.325 122.820 0.029 0.000 1.898 374 A HA -0.023 4.302 4.320 0.009 0.000 0.216 374 A C 2.470 180.096 177.584 0.071 0.000 1.181 374 A CA 1.545 53.601 52.037 0.032 0.000 0.620 374 A CB -1.163 17.819 19.000 -0.031 0.000 0.819 374 A HN 0.546 nan 8.150 nan 0.000 0.442 375 A N -0.200 122.646 122.820 0.042 0.000 1.917 375 A HA -0.218 4.108 4.320 0.009 0.000 0.219 375 A C 1.963 179.585 177.584 0.063 0.000 1.182 375 A CA 2.319 54.376 52.037 0.033 0.000 0.633 375 A CB -0.514 18.488 19.000 0.003 0.000 0.819 375 A HN 0.531 nan 8.150 nan 0.000 0.448 376 E N 0.205 120.455 120.200 0.083 0.000 2.051 376 E HA -0.089 4.266 4.350 0.009 0.000 0.192 376 E C 2.101 178.803 176.600 0.169 0.000 0.991 376 E CA 1.695 58.165 56.400 0.117 0.000 0.799 376 E CB -0.578 29.186 29.700 0.105 0.000 0.748 376 E HN 0.475 nan 8.360 nan 0.000 0.449 377 A N 0.093 123.033 122.820 0.201 0.000 1.892 377 A HA -0.200 4.125 4.320 0.009 0.000 0.218 377 A C 2.552 180.293 177.584 0.261 0.000 1.188 377 A CA 2.001 54.220 52.037 0.303 0.000 0.631 377 A CB -1.008 18.267 19.000 0.459 0.000 0.822 377 A HN 0.199 nan 8.150 nan 0.000 0.447 378 V N -0.567 119.495 119.914 0.247 0.000 2.233 378 V HA -0.257 3.869 4.120 0.009 0.000 0.247 378 V C 2.565 178.825 176.094 0.276 0.000 1.050 378 V CA 2.048 64.463 62.300 0.192 0.000 1.010 378 V CB -0.969 30.957 31.823 0.171 0.000 0.637 378 V HN 0.366 nan 8.190 nan 0.000 0.444 379 V N -0.512 119.515 119.914 0.189 0.000 2.282 379 V HA -0.303 3.822 4.120 0.009 0.000 0.249 379 V C 2.393 178.691 176.094 0.339 0.000 1.057 379 V CA 2.194 64.642 62.300 0.247 0.000 1.032 379 V CB -0.566 31.328 31.823 0.118 0.000 0.645 379 V HN 0.400 nan 8.190 nan 0.000 0.447 380 L N -0.707 120.700 121.223 0.307 0.000 2.017 380 L HA -0.195 4.150 4.340 0.009 0.000 0.208 380 L C 2.444 179.502 176.870 0.315 0.000 1.073 380 L CA 2.343 57.426 54.840 0.405 0.000 0.745 380 L CB -0.956 41.302 42.059 0.331 0.000 0.894 380 L HN 0.499 nan 8.230 nan 0.000 0.432 381 H N -2.164 116.900 119.070 -0.011 0.000 2.421 381 H HA -0.181 4.379 4.556 0.008 0.000 0.298 381 H C 1.596 176.775 175.328 -0.248 0.000 1.087 381 H CA 1.813 57.693 56.048 -0.280 0.000 1.330 381 H CB -0.009 29.219 29.762 -0.890 0.000 1.388 381 H HN 0.381 nan 8.280 nan 0.000 0.526 382 Y N -0.306 120.012 120.300 0.030 0.000 2.482 382 Y HA 0.145 4.701 4.550 0.010 0.000 0.270 382 Y C 0.678 176.580 175.900 0.002 0.000 1.152 382 Y CA 0.277 58.416 58.100 0.064 0.000 1.292 382 Y CB 0.358 38.992 38.460 0.290 0.000 1.070 382 Y HN 0.026 nan 8.280 nan 0.000 0.528 383 T N 1.201 115.745 114.554 -0.017 0.000 2.851 383 T HA 0.014 4.369 4.350 0.009 0.000 0.298 383 T C -0.421 173.951 174.700 -0.547 0.000 0.977 383 T CA -0.449 61.402 62.100 -0.414 0.000 1.126 383 T CB 0.454 68.713 68.868 -1.015 0.000 0.916 383 T HN 0.097 nan 8.240 nan 0.000 0.529 384 D N 2.096 122.252 120.400 -0.407 0.000 2.365 384 D HA 0.123 4.768 4.640 0.009 0.000 0.237 384 D C 0.042 176.117 176.300 -0.375 0.000 1.190 384 D CA -0.642 53.112 54.000 -0.411 0.000 0.867 384 D CB 0.326 40.688 40.800 -0.730 0.000 1.050 384 D HN 0.592 nan 8.370 nan 0.000 0.491 385 W N 3.047 124.301 121.300 -0.075 0.000 2.937 385 W HA 0.106 4.770 4.660 0.007 0.000 0.245 385 W C 1.716 178.163 176.519 -0.120 0.000 1.306 385 W CA -0.323 56.981 57.345 -0.068 0.000 1.470 385 W CB -0.084 29.343 29.460 -0.055 0.000 1.132 385 W HN 0.434 nan 8.180 nan 0.000 0.675 386 L N -0.898 120.313 121.223 -0.020 0.000 2.072 386 L HA -0.121 4.224 4.340 0.009 0.000 0.205 386 L C 0.267 176.791 176.870 -0.577 0.000 1.079 386 L CA 1.324 55.992 54.840 -0.286 0.000 0.752 386 L CB -0.361 41.511 42.059 -0.311 0.000 0.906 386 L HN 0.003 nan 8.230 nan 0.000 0.436 387 H N -1.996 117.018 119.070 -0.094 0.000 2.380 387 H HA 0.197 4.758 4.556 0.008 0.000 0.231 387 H C -1.998 173.249 175.328 -0.135 0.000 1.415 387 H CA -1.737 54.254 56.048 -0.095 0.000 1.433 387 H CB -0.010 29.692 29.762 -0.099 0.000 1.544 387 H HN -0.048 nan 8.280 nan 0.000 0.503 388 P HA -0.050 nan 4.420 nan 0.000 0.242 388 P C 0.417 177.661 177.300 -0.093 0.000 1.197 388 P CA 0.790 63.785 63.100 -0.175 0.000 0.765 388 P CB 0.736 32.319 31.700 -0.195 0.000 0.936 389 E N -0.479 119.705 120.200 -0.027 0.000 2.641 389 E HA 0.056 4.412 4.350 0.009 0.000 0.224 389 E C -0.265 176.325 176.600 -0.016 0.000 0.951 389 E CA -0.042 56.348 56.400 -0.017 0.000 1.102 389 E CB 0.399 30.101 29.700 0.004 0.000 1.091 389 E HN 0.241 nan 8.360 nan 0.000 0.507 390 D N 1.862 122.261 120.400 -0.001 0.000 2.325 390 D HA 0.064 4.710 4.640 0.009 0.000 0.251 390 D C -1.700 174.575 176.300 -0.042 0.000 1.196 390 D CA -1.851 52.145 54.000 -0.008 0.000 0.866 390 D CB 1.669 42.471 40.800 0.004 0.000 1.101 390 D HN -0.197 nan 8.370 nan 0.000 0.476 391 P HA -0.087 nan 4.420 nan 0.000 0.217 391 P C 1.267 178.495 177.300 -0.120 0.000 1.151 391 P CA 0.840 63.875 63.100 -0.108 0.000 0.828 391 P CB 0.188 31.820 31.700 -0.112 0.000 0.788 392 T N -1.462 113.041 114.554 -0.084 0.000 2.720 392 T HA -0.217 4.139 4.350 0.009 0.000 0.268 392 T C 1.757 176.436 174.700 -0.036 0.000 1.037 392 T CA 1.817 63.880 62.100 -0.063 0.000 1.144 392 T CB -0.916 67.929 68.868 -0.039 0.000 0.864 392 T HN 0.265 nan 8.240 nan 0.000 0.444 393 H N 0.837 119.839 119.070 -0.113 0.000 2.326 393 H HA 0.112 4.673 4.556 0.008 0.000 0.301 393 H C 2.042 177.272 175.328 -0.163 0.000 1.081 393 H CA 1.332 57.309 56.048 -0.118 0.000 1.334 393 H CB -0.547 29.133 29.762 -0.136 0.000 1.385 393 H HN 0.256 nan 8.280 nan 0.000 0.504 394 L N 0.179 121.175 121.223 -0.379 0.000 2.042 394 L HA -0.199 4.146 4.340 0.009 0.000 0.210 394 L C 2.900 179.573 176.870 -0.330 0.000 1.076 394 L CA 1.575 56.071 54.840 -0.572 0.000 0.749 394 L CB -0.589 41.221 42.059 -0.414 0.000 0.893 394 L HN 0.302 nan 8.230 nan 0.000 0.432 395 R N 0.781 121.180 120.500 -0.167 0.000 2.097 395 R HA -0.224 4.122 4.340 0.009 0.000 0.236 395 R C 1.759 178.106 176.300 0.079 0.000 1.135 395 R CA 2.499 58.603 56.100 0.007 0.000 0.934 395 R CB -0.566 29.658 30.300 -0.128 0.000 0.846 395 R HN 0.366 nan 8.270 nan 0.000 0.431 396 D N 0.306 120.689 120.400 -0.029 0.000 2.178 396 D HA -0.110 4.535 4.640 0.009 0.000 0.201 396 D C 1.779 178.057 176.300 -0.037 0.000 0.980 396 D CA 1.371 55.383 54.000 0.021 0.000 0.842 396 D CB -0.312 40.507 40.800 0.031 0.000 0.948 396 D HN 0.408 nan 8.370 nan 0.000 0.472 397 A N 0.958 123.621 122.820 -0.261 0.000 1.858 397 A HA -0.205 4.120 4.320 0.009 0.000 0.216 397 A C 2.191 179.815 177.584 0.066 0.000 1.190 397 A CA 1.914 53.848 52.037 -0.171 0.000 0.617 397 A CB -0.630 18.032 19.000 -0.564 0.000 0.827 397 A HN 0.159 nan 8.150 nan 0.000 0.443 398 M N 0.062 119.781 119.600 0.197 0.000 2.144 398 M HA -0.127 4.359 4.480 0.009 0.000 0.260 398 M C 2.291 178.634 176.300 0.071 0.000 1.067 398 M CA 2.139 57.601 55.300 0.270 0.000 1.095 398 M CB -0.593 32.254 32.600 0.412 0.000 1.365 398 M HN 0.437 nan 8.290 nan 0.000 0.406 399 S N -0.470 115.277 115.700 0.079 0.000 2.356 399 S HA -0.112 4.363 4.470 0.009 0.000 0.223 399 S C 2.041 176.689 174.600 0.079 0.000 1.032 399 S CA 1.599 59.847 58.200 0.079 0.000 1.005 399 S CB -0.597 62.698 63.200 0.160 0.000 0.867 399 S HN 0.643 nan 8.310 nan 0.000 0.449 400 A N 0.810 123.684 122.820 0.091 0.000 1.933 400 A HA 0.002 4.327 4.320 0.009 0.000 0.218 400 A C 2.337 179.938 177.584 0.028 0.000 1.175 400 A CA 1.759 53.879 52.037 0.139 0.000 0.628 400 A CB -1.060 18.122 19.000 0.304 0.000 0.814 400 A HN 0.460 nan 8.150 nan 0.000 0.444 401 V N -0.399 119.387 119.914 -0.215 0.000 2.255 401 V HA -0.265 3.861 4.120 0.009 0.000 0.247 401 V C 2.574 178.594 176.094 -0.123 0.000 1.051 401 V CA 2.183 64.312 62.300 -0.284 0.000 1.018 401 V CB -0.956 30.701 31.823 -0.277 0.000 0.641 401 V HN 0.374 nan 8.190 nan 0.000 0.445 402 V N 0.776 120.652 119.914 -0.063 0.000 2.295 402 V HA -0.180 3.945 4.120 0.009 0.000 0.246 402 V C 2.653 178.734 176.094 -0.022 0.000 1.049 402 V CA 2.245 64.517 62.300 -0.046 0.000 1.024 402 V CB -1.492 30.372 31.823 0.069 0.000 0.648 402 V HN 0.620 nan 8.190 nan 0.000 0.447 403 G N -0.106 108.734 108.800 0.067 0.000 2.459 403 G HA2 -0.278 3.687 3.960 0.009 0.000 0.217 403 G HA3 -0.278 3.687 3.960 0.009 0.000 0.217 403 G C 1.237 176.146 174.900 0.015 0.000 1.183 403 G CA 1.211 46.370 45.100 0.098 0.000 0.776 403 G HN 0.521 nan 8.290 nan 0.000 0.552 404 D N -0.486 119.902 120.400 -0.020 0.000 2.144 404 D HA -0.057 4.589 4.640 0.009 0.000 0.200 404 D C 2.083 178.123 176.300 -0.433 0.000 0.978 404 D CA 1.158 55.103 54.000 -0.092 0.000 0.833 404 D CB -0.409 40.475 40.800 0.140 0.000 0.961 404 D HN 0.418 nan 8.370 nan 0.000 0.470 405 H N 1.011 119.594 119.070 -0.812 0.000 2.357 405 H HA 0.042 4.603 4.556 0.008 0.000 0.301 405 H C 1.540 176.585 175.328 -0.473 0.000 1.082 405 H CA 1.566 56.969 56.048 -1.076 0.000 1.342 405 H CB 0.072 29.168 29.762 -1.111 0.000 1.389 405 H HN -0.014 nan 8.280 nan 0.000 0.511 406 N N -0.707 117.749 118.700 -0.408 0.000 2.368 406 N HA -0.019 4.726 4.740 0.009 0.000 0.176 406 N C 1.363 176.951 175.510 0.130 0.000 1.021 406 N CA 1.159 54.091 53.050 -0.197 0.000 0.888 406 N CB 0.876 39.129 38.487 -0.390 0.000 0.995 406 N HN 0.261 nan 8.380 nan 0.000 0.437 407 V N -0.237 119.716 119.914 0.065 0.000 3.134 407 V HA 0.043 4.169 4.120 0.009 0.000 0.222 407 V C 2.250 178.377 176.094 0.055 0.000 1.247 407 V CA 0.235 62.623 62.300 0.146 0.000 1.281 407 V CB -0.301 31.650 31.823 0.214 0.000 1.169 407 V HN -0.162 nan 8.190 nan 0.000 0.512 408 V N 0.032 119.967 119.914 0.034 0.000 2.287 408 V HA -0.302 3.823 4.120 0.009 0.000 0.248 408 V C 2.486 178.580 176.094 0.000 0.000 1.053 408 V CA 2.522 64.834 62.300 0.019 0.000 1.027 408 V CB -0.939 30.914 31.823 0.051 0.000 0.646 408 V HN 0.656 nan 8.190 nan 0.000 0.447 409 c N -0.413 118.180 118.600 -0.012 0.000 2.486 409 c HA 0.029 4.604 4.570 0.009 0.000 0.279 409 c C 0.631 174.722 174.090 0.003 0.000 1.302 409 c CA 0.904 57.250 56.329 0.029 0.000 1.720 409 c CB -1.777 40.783 42.510 0.084 0.000 2.030 409 c HN 0.449 nan 8.230 nan 0.000 0.490 410 P HA -0.095 nan 4.420 nan 0.000 0.216 410 P C 1.683 178.953 177.300 -0.051 0.000 1.150 410 P CA 1.475 64.542 63.100 -0.056 0.000 0.843 410 P CB -0.153 31.495 31.700 -0.087 0.000 0.787 411 V N -0.232 119.654 119.914 -0.046 0.000 2.379 411 V HA -0.191 3.934 4.120 0.009 0.000 0.245 411 V C 2.426 178.446 176.094 -0.123 0.000 1.044 411 V CA 2.102 64.353 62.300 -0.081 0.000 1.036 411 V CB -1.623 30.150 31.823 -0.082 0.000 0.664 411 V HN 0.095 nan 8.190 nan 0.000 0.453 412 A N -0.320 122.444 122.820 -0.094 0.000 1.930 412 A HA -0.279 4.046 4.320 0.009 0.000 0.217 412 A C 2.184 179.752 177.584 -0.027 0.000 1.175 412 A CA 2.044 54.025 52.037 -0.093 0.000 0.627 412 A CB -0.447 18.546 19.000 -0.010 0.000 0.815 412 A HN 0.598 nan 8.150 nan 0.000 0.443 413 Q N -0.616 119.185 119.800 0.001 0.000 2.046 413 Q HA -0.133 4.212 4.340 0.009 0.000 0.200 413 Q C 1.886 177.887 176.000 0.000 0.000 0.975 413 Q CA 1.787 57.605 55.803 0.025 0.000 0.836 413 Q CB -0.419 28.333 28.738 0.024 0.000 0.896 413 Q HN 0.479 nan 8.270 nan 0.000 0.428 414 L N 0.425 121.621 121.223 -0.045 0.000 1.989 414 L HA -0.101 4.244 4.340 0.009 0.000 0.211 414 L C 2.251 179.079 176.870 -0.070 0.000 1.071 414 L CA 2.308 57.107 54.840 -0.067 0.000 0.749 414 L CB -1.092 40.911 42.059 -0.093 0.000 0.890 414 L HN 0.334 nan 8.230 nan 0.000 0.431 415 A N -0.453 122.290 122.820 -0.128 0.000 1.873 415 A HA -0.152 4.174 4.320 0.009 0.000 0.218 415 A C 2.351 179.993 177.584 0.097 0.000 1.193 415 A CA 1.970 53.901 52.037 -0.177 0.000 0.629 415 A CB -1.775 16.835 19.000 -0.649 0.000 0.826 415 A HN 0.559 nan 8.150 nan 0.000 0.447 416 G N -0.290 108.621 108.800 0.185 0.000 2.672 416 G HA2 -0.331 3.634 3.960 0.009 0.000 0.218 416 G HA3 -0.331 3.634 3.960 0.009 0.000 0.218 416 G C 1.634 176.638 174.900 0.173 0.000 1.238 416 G CA 1.254 46.519 45.100 0.275 0.000 0.791 416 G HN 0.438 nan 8.290 nan 0.000 0.606 417 R N 0.366 120.934 120.500 0.114 0.000 2.083 417 R HA 0.027 4.372 4.340 0.009 0.000 0.237 417 R C 2.742 179.128 176.300 0.144 0.000 1.137 417 R CA 0.825 56.995 56.100 0.117 0.000 0.951 417 R CB -1.377 28.984 30.300 0.103 0.000 0.851 417 R HN 0.459 nan 8.270 nan 0.000 0.434 418 L N 0.196 121.469 121.223 0.084 0.000 2.012 418 L HA -0.156 4.189 4.340 0.009 0.000 0.210 418 L C 2.624 179.579 176.870 0.142 0.000 1.073 418 L CA 1.598 56.477 54.840 0.066 0.000 0.748 418 L CB -0.897 41.097 42.059 -0.109 0.000 0.891 418 L HN 0.176 nan 8.230 nan 0.000 0.431 419 A N 0.411 123.318 122.820 0.145 0.000 1.851 419 A HA -0.242 4.084 4.320 0.009 0.000 0.216 419 A C 2.530 180.183 177.584 0.115 0.000 1.195 419 A CA 2.109 54.232 52.037 0.144 0.000 0.622 419 A CB -0.931 18.190 19.000 0.202 0.000 0.831 419 A HN 0.423 nan 8.150 nan 0.000 0.444 420 A N -1.230 121.659 122.820 0.114 0.000 2.024 420 A HA -0.173 4.153 4.320 0.009 0.000 0.220 420 A C 1.780 179.423 177.584 0.099 0.000 1.164 420 A CA 1.582 53.673 52.037 0.089 0.000 0.643 420 A CB -0.388 18.663 19.000 0.086 0.000 0.806 420 A HN 0.685 nan 8.150 nan 0.000 0.451 421 Q N -1.729 118.161 119.800 0.149 0.000 2.225 421 Q HA 0.373 4.719 4.340 0.009 0.000 0.259 421 Q C 0.731 176.831 176.000 0.168 0.000 0.872 421 Q CA 0.210 56.107 55.803 0.157 0.000 1.042 421 Q CB 0.370 29.232 28.738 0.207 0.000 1.142 421 Q HN 0.804 nan 8.270 nan 0.000 0.463 422 G N 0.240 109.120 108.800 0.133 0.000 2.179 422 G HA2 -0.247 3.718 3.960 0.009 0.000 0.220 422 G HA3 -0.247 3.718 3.960 0.009 0.000 0.220 422 G C 0.226 175.206 174.900 0.133 0.000 0.990 422 G CA -0.112 45.054 45.100 0.110 0.000 0.646 422 G HN 0.524 nan 8.290 nan 0.000 0.517 423 A N -0.165 122.755 122.820 0.167 0.000 2.302 423 A HA 0.817 5.142 4.320 0.009 0.000 0.285 423 A C 0.501 178.143 177.584 0.096 0.000 1.105 423 A CA 0.087 52.213 52.037 0.148 0.000 0.816 423 A CB 0.554 19.638 19.000 0.140 0.000 1.067 423 A HN 0.701 nan 8.150 nan 0.000 0.489 424 R N 1.565 122.122 120.500 0.096 0.000 2.210 424 R HA 0.482 4.827 4.340 0.009 0.000 0.338 424 R C -1.408 174.935 176.300 0.072 0.000 1.062 424 R CA -0.020 56.114 56.100 0.055 0.000 0.902 424 R CB 0.282 30.643 30.300 0.103 0.000 1.050 424 R HN 0.450 nan 8.270 nan 0.000 0.461 425 V N 5.922 125.824 119.914 -0.020 0.000 2.459 425 V HA 0.367 4.492 4.120 0.009 0.000 0.295 425 V C -0.991 175.027 176.094 -0.126 0.000 1.029 425 V CA -0.680 61.631 62.300 0.019 0.000 0.874 425 V CB 1.469 33.343 31.823 0.084 0.000 0.985 425 V HN 0.638 nan 8.190 nan 0.000 0.438 426 Y N 2.549 122.835 120.300 -0.024 0.000 2.341 426 Y HA 0.746 5.302 4.550 0.009 0.000 0.338 426 Y C 0.348 176.359 175.900 0.186 0.000 0.965 426 Y CA -0.496 57.586 58.100 -0.030 0.000 1.108 426 Y CB 2.030 40.122 38.460 -0.614 0.000 1.180 426 Y HN 0.718 nan 8.280 nan 0.000 0.458 427 A N 3.900 127.092 122.820 0.621 0.000 2.350 427 A HA 0.821 5.147 4.320 0.009 0.000 0.324 427 A C -1.619 176.326 177.584 0.601 0.000 1.118 427 A CA -0.644 51.630 52.037 0.395 0.000 0.783 427 A CB 0.649 19.691 19.000 0.071 0.000 1.236 427 A HN 0.745 nan 8.150 nan 0.000 0.457 428 Y N 0.087 120.609 120.300 0.371 0.000 2.634 428 Y HA 0.824 5.378 4.550 0.007 0.000 0.340 428 Y C -0.931 175.120 175.900 0.251 0.000 1.058 428 Y CA -1.757 56.491 58.100 0.248 0.000 1.081 428 Y CB 1.471 40.062 38.460 0.218 0.000 1.295 428 Y HN 0.665 nan 8.280 nan 0.000 0.487 429 I N 2.764 123.622 120.570 0.479 0.000 2.499 429 I HA 0.421 4.597 4.170 0.009 0.000 0.288 429 I C -1.944 174.483 176.117 0.516 0.000 1.048 429 I CA -0.989 60.554 61.300 0.406 0.000 1.062 429 I CB 1.339 39.512 38.000 0.288 0.000 1.238 429 I HN 0.772 nan 8.210 nan 0.000 0.426 430 F N 7.101 127.303 119.950 0.421 0.000 2.411 430 F HA 0.359 4.892 4.527 0.010 0.000 0.355 430 F C 0.725 176.658 175.800 0.222 0.000 1.117 430 F CA 0.220 58.425 58.000 0.342 0.000 1.139 430 F CB 0.979 40.201 39.000 0.371 0.000 1.120 430 F HN 0.562 nan 8.300 nan 0.000 0.493 431 E N 2.675 122.750 120.200 -0.209 0.000 2.562 431 E HA -0.018 4.337 4.350 0.009 0.000 0.214 431 E C -0.834 175.654 176.600 -0.186 0.000 0.979 431 E CA -0.129 56.212 56.400 -0.098 0.000 1.002 431 E CB 0.289 29.956 29.700 -0.056 0.000 1.048 431 E HN 0.504 nan 8.360 nan 0.000 0.488 432 H N 1.312 120.026 119.070 -0.593 0.000 2.519 432 H HA 0.222 4.783 4.556 0.008 0.000 0.316 432 H C -0.353 174.924 175.328 -0.084 0.000 1.065 432 H CA -0.664 55.101 56.048 -0.471 0.000 1.264 432 H CB 0.467 29.697 29.762 -0.887 0.000 1.413 432 H HN -0.118 nan 8.280 nan 0.000 0.465 433 R N 4.042 124.225 120.500 -0.529 0.000 2.390 433 R HA 0.508 4.853 4.340 0.009 0.000 0.291 433 R C -0.672 175.371 176.300 -0.428 0.000 1.070 433 R CA -0.528 55.400 56.100 -0.287 0.000 1.014 433 R CB 0.543 30.749 30.300 -0.157 0.000 1.007 433 R HN 0.722 nan 8.270 nan 0.000 0.466 434 A N 3.105 125.960 122.820 0.059 0.000 2.488 434 A HA 0.061 4.386 4.320 0.009 0.000 0.249 434 A C 1.392 179.028 177.584 0.086 0.000 1.083 434 A CA 0.325 52.538 52.037 0.292 0.000 0.768 434 A CB 0.386 19.648 19.000 0.437 0.000 1.017 434 A HN 1.044 nan 8.150 nan 0.000 0.496 435 S N 1.801 117.584 115.700 0.138 0.000 2.420 435 S HA -0.202 4.273 4.470 0.009 0.000 0.237 435 S C 1.424 175.987 174.600 -0.060 0.000 1.023 435 S CA 1.998 60.221 58.200 0.039 0.000 0.991 435 S CB -0.875 62.374 63.200 0.082 0.000 0.792 435 S HN 1.324 nan 8.310 nan 0.000 0.488 436 T N -1.177 113.296 114.554 -0.136 0.000 3.107 436 T HA 0.359 4.714 4.350 0.009 0.000 0.249 436 T C 0.395 175.014 174.700 -0.135 0.000 1.096 436 T CA -0.521 61.444 62.100 -0.224 0.000 1.012 436 T CB -0.503 68.078 68.868 -0.477 0.000 0.977 436 T HN 0.269 nan 8.240 nan 0.000 0.527 437 L N 3.964 125.149 121.223 -0.063 0.000 2.525 437 L HA 0.245 4.591 4.340 0.009 0.000 0.278 437 L C 1.539 178.350 176.870 -0.098 0.000 1.218 437 L CA 0.876 55.675 54.840 -0.069 0.000 0.878 437 L CB 0.826 42.847 42.059 -0.063 0.000 1.127 437 L HN 0.426 nan 8.230 nan 0.000 0.492 438 T N -0.163 114.290 114.554 -0.168 0.000 3.069 438 T HA 0.154 4.510 4.350 0.009 0.000 0.252 438 T C 0.208 174.838 174.700 -0.116 0.000 1.053 438 T CA -0.509 61.477 62.100 -0.191 0.000 0.964 438 T CB -0.351 68.303 68.868 -0.357 0.000 1.005 438 T HN 0.426 nan 8.240 nan 0.000 0.532 439 W N 2.919 124.196 121.300 -0.038 0.000 2.283 439 W HA 0.507 5.173 4.660 0.010 0.000 0.341 439 W C -2.067 174.364 176.519 -0.147 0.000 1.206 439 W CA -2.404 54.917 57.345 -0.040 0.000 1.294 439 W CB 0.278 29.646 29.460 -0.152 0.000 1.154 439 W HN -0.077 nan 8.180 nan 0.000 0.613 440 P HA -0.004 nan 4.420 nan 0.000 0.270 440 P C 0.617 177.852 177.300 -0.108 0.000 1.223 440 P CA 0.049 63.123 63.100 -0.045 0.000 0.785 440 P CB 0.875 32.557 31.700 -0.030 0.000 0.923 441 L N 0.580 121.801 121.223 -0.002 0.000 2.081 441 L HA -0.166 4.180 4.340 0.009 0.000 0.212 441 L C 2.470 179.369 176.870 0.049 0.000 1.080 441 L CA 1.640 56.494 54.840 0.023 0.000 0.754 441 L CB -0.876 41.225 42.059 0.070 0.000 0.893 441 L HN 0.627 nan 8.230 nan 0.000 0.433 442 W N -1.469 119.866 121.300 0.059 0.000 2.525 442 W HA -0.121 4.543 4.660 0.008 0.000 0.259 442 W C 1.670 178.231 176.519 0.069 0.000 1.253 442 W CA 0.387 57.770 57.345 0.062 0.000 1.262 442 W CB -0.631 28.869 29.460 0.068 0.000 1.122 442 W HN 0.198 nan 8.180 nan 0.000 0.607 443 M N 1.251 120.508 119.600 -0.572 0.000 2.558 443 M HA 0.157 4.642 4.480 0.009 0.000 0.255 443 M C 1.662 177.837 176.300 -0.209 0.000 1.113 443 M CA 1.439 56.370 55.300 -0.615 0.000 1.097 443 M CB -0.286 31.802 32.600 -0.853 0.000 1.426 443 M HN 0.172 nan 8.290 nan 0.000 0.488 444 G N 0.263 109.006 108.800 -0.094 0.000 2.550 444 G HA2 -0.278 3.687 3.960 0.009 0.000 0.277 444 G HA3 -0.278 3.687 3.960 0.009 0.000 0.277 444 G C -0.271 174.617 174.900 -0.020 0.000 1.190 444 G CA -0.254 44.837 45.100 -0.016 0.000 0.971 444 G HN 0.193 nan 8.290 nan 0.000 0.559 445 V N 3.175 123.114 119.914 0.042 0.000 2.284 445 V HA 0.464 4.589 4.120 0.009 0.000 0.260 445 V C -1.814 174.352 176.094 0.120 0.000 1.084 445 V CA -0.722 61.646 62.300 0.114 0.000 0.894 445 V CB 0.816 32.763 31.823 0.206 0.000 1.119 445 V HN 0.567 nan 8.190 nan 0.000 0.484 446 P HA 0.225 nan 4.420 nan 0.000 0.281 446 P C -0.207 177.173 177.300 0.133 0.000 1.249 446 P CA -0.660 62.458 63.100 0.030 0.000 0.810 446 P CB 0.381 32.005 31.700 -0.126 0.000 1.008 447 H N 1.325 120.316 119.070 -0.132 0.000 3.232 447 H HA 0.134 4.695 4.556 0.008 0.000 0.276 447 H C 1.521 176.681 175.328 -0.280 0.000 0.882 447 H CA 2.435 58.345 56.048 -0.230 0.000 1.415 447 H CB -0.802 28.670 29.762 -0.483 0.000 1.405 447 H HN 0.791 nan 8.280 nan 0.000 0.543 448 G N 3.466 111.940 108.800 -0.543 0.000 2.213 448 G HA2 -0.303 3.662 3.960 0.009 0.000 0.226 448 G HA3 -0.303 3.662 3.960 0.009 0.000 0.226 448 G C 0.499 175.241 174.900 -0.263 0.000 0.992 448 G CA 0.271 45.073 45.100 -0.496 0.000 0.632 448 G HN 0.629 nan 8.290 nan 0.000 0.511 449 Y N 1.738 122.055 120.300 0.028 0.000 2.495 449 Y HA 0.272 4.827 4.550 0.008 0.000 0.293 449 Y C 2.249 178.189 175.900 0.067 0.000 1.186 449 Y CA 0.790 58.978 58.100 0.147 0.000 1.266 449 Y CB 0.400 38.998 38.460 0.228 0.000 1.101 449 Y HN 0.523 nan 8.280 nan 0.000 0.517 450 E N 0.137 120.198 120.200 -0.232 0.000 2.276 450 E HA -0.065 4.291 4.350 0.009 0.000 0.193 450 E C 1.582 178.030 176.600 -0.253 0.000 0.983 450 E CA 0.723 56.630 56.400 -0.822 0.000 0.861 450 E CB -0.306 28.649 29.700 -1.241 0.000 0.817 450 E HN 0.543 nan 8.360 nan 0.000 0.485 451 I N 2.784 123.298 120.570 -0.094 0.000 2.179 451 I HA -0.292 3.883 4.170 0.009 0.000 0.242 451 I C 2.669 178.768 176.117 -0.031 0.000 1.088 451 I CA 2.047 63.342 61.300 -0.009 0.000 1.357 451 I CB -0.575 37.474 38.000 0.081 0.000 1.051 451 I HN 0.193 nan 8.210 nan 0.000 0.409 452 E N 1.026 121.156 120.200 -0.115 0.000 2.267 452 E HA -0.224 4.131 4.350 0.009 0.000 0.197 452 E C 1.913 178.274 176.600 -0.399 0.000 0.998 452 E CA 1.415 57.653 56.400 -0.269 0.000 0.830 452 E CB -0.430 29.096 29.700 -0.290 0.000 0.751 452 E HN 0.459 nan 8.360 nan 0.000 0.491 453 F N 1.167 121.029 119.950 -0.147 0.000 2.147 453 F HA 0.009 4.543 4.527 0.012 0.000 0.291 453 F C 2.323 177.917 175.800 -0.342 0.000 1.093 453 F CA 0.325 58.199 58.000 -0.209 0.000 1.263 453 F CB -0.162 38.831 39.000 -0.012 0.000 1.036 453 F HN -0.070 nan 8.300 nan 0.000 0.481 454 I N -0.306 120.115 120.570 -0.248 0.000 2.185 454 I HA -0.333 3.842 4.170 0.009 0.000 0.246 454 I C 2.161 178.033 176.117 -0.409 0.000 1.088 454 I CA 1.856 62.838 61.300 -0.530 0.000 1.347 454 I CB -1.574 35.990 38.000 -0.726 0.000 1.041 454 I HN 0.094 nan 8.210 nan 0.000 0.415 455 F N 0.833 120.589 119.950 -0.322 0.000 2.748 455 F HA 0.181 4.714 4.527 0.009 0.000 0.299 455 F C 1.895 177.540 175.800 -0.259 0.000 1.154 455 F CA 0.876 58.725 58.000 -0.250 0.000 1.446 455 F CB -0.337 38.502 39.000 -0.268 0.000 1.112 455 F HN 0.315 nan 8.300 nan 0.000 0.584 456 G N 0.235 108.876 108.800 -0.265 0.000 2.147 456 G HA2 -0.279 3.686 3.960 0.009 0.000 0.244 456 G HA3 -0.279 3.686 3.960 0.009 0.000 0.244 456 G C 1.144 175.486 174.900 -0.930 0.000 1.005 456 G CA 0.351 45.176 45.100 -0.459 0.000 0.713 456 G HN 0.354 nan 8.290 nan 0.000 0.515 457 L N -0.388 120.320 121.223 -0.858 0.000 2.043 457 L HA -0.105 4.240 4.340 0.009 0.000 0.212 457 L C 0.236 176.509 176.870 -0.995 0.000 1.075 457 L CA 2.343 56.590 54.840 -0.988 0.000 0.752 457 L CB -1.577 40.128 42.059 -0.590 0.000 0.891 457 L HN 0.216 nan 8.230 nan 0.000 0.432 458 P HA -0.146 nan 4.420 nan 0.000 0.226 458 P C 1.781 178.798 177.300 -0.471 0.000 1.146 458 P CA 1.036 63.508 63.100 -1.047 0.000 0.773 458 P CB -0.008 31.112 31.700 -0.966 0.000 0.772 459 L N -1.482 119.426 121.223 -0.525 0.000 2.291 459 L HA -0.032 4.313 4.340 0.009 0.000 0.214 459 L C 1.119 177.899 176.870 -0.151 0.000 1.120 459 L CA 0.605 55.271 54.840 -0.291 0.000 0.799 459 L CB -0.801 41.114 42.059 -0.241 0.000 0.925 459 L HN 0.007 nan 8.230 nan 0.000 0.446 460 D N 1.072 121.355 120.400 -0.195 0.000 2.346 460 D HA 0.052 4.698 4.640 0.009 0.000 0.260 460 D C -1.578 174.733 176.300 0.018 0.000 1.252 460 D CA -1.783 52.226 54.000 0.016 0.000 0.895 460 D CB 1.617 42.470 40.800 0.089 0.000 1.097 460 D HN -0.079 nan 8.370 nan 0.000 0.489 461 P HA -0.145 nan 4.420 nan 0.000 0.219 461 P C 1.163 178.481 177.300 0.030 0.000 1.146 461 P CA 1.001 64.119 63.100 0.030 0.000 0.808 461 P CB 0.083 31.797 31.700 0.024 0.000 0.779 462 S N -1.611 114.106 115.700 0.028 0.000 2.603 462 S HA 0.025 4.500 4.470 0.009 0.000 0.229 462 S C 1.398 176.003 174.600 0.009 0.000 0.972 462 S CA 0.397 58.605 58.200 0.014 0.000 0.935 462 S CB -1.200 62.005 63.200 0.010 0.000 0.769 462 S HN 0.112 nan 8.310 nan 0.000 0.536 463 L N 0.562 121.810 121.223 0.040 0.000 2.640 463 L HA 0.284 4.629 4.340 0.009 0.000 0.230 463 L C 0.103 176.938 176.870 -0.059 0.000 1.123 463 L CA -0.229 54.635 54.840 0.040 0.000 0.900 463 L CB -0.482 41.685 42.059 0.180 0.000 1.146 463 L HN 0.216 nan 8.230 nan 0.000 0.484 464 N N -1.195 117.490 118.700 -0.025 0.000 2.741 464 N HA -0.238 4.508 4.740 0.009 0.000 0.250 464 N C -0.483 174.964 175.510 -0.105 0.000 1.115 464 N CA 0.919 53.924 53.050 -0.075 0.000 0.724 464 N CB -1.878 36.533 38.487 -0.126 0.000 1.090 464 N HN 0.304 nan 8.380 nan 0.000 0.558 465 Y N 0.912 121.197 120.300 -0.026 0.000 2.304 465 Y HA 0.192 4.747 4.550 0.009 0.000 0.327 465 Y C 1.899 177.819 175.900 0.034 0.000 1.209 465 Y CA 0.066 58.173 58.100 0.012 0.000 1.299 465 Y CB 0.596 39.048 38.460 -0.015 0.000 1.249 465 Y HN 0.086 nan 8.280 nan 0.000 0.519 466 T N -1.801 112.888 114.554 0.224 0.000 2.795 466 T HA -0.027 4.329 4.350 0.009 0.000 0.314 466 T C 1.220 176.004 174.700 0.139 0.000 1.069 466 T CA -0.115 62.074 62.100 0.148 0.000 1.071 466 T CB 0.753 69.702 68.868 0.137 0.000 0.988 466 T HN 0.781 nan 8.240 nan 0.000 0.543 467 T N 1.725 116.330 114.554 0.085 0.000 2.759 467 T HA -0.087 4.268 4.350 0.009 0.000 0.269 467 T C 1.743 176.483 174.700 0.066 0.000 1.042 467 T CA 1.942 64.079 62.100 0.063 0.000 1.140 467 T CB -0.390 68.501 68.868 0.039 0.000 0.864 467 T HN 0.771 nan 8.240 nan 0.000 0.455 468 E N 1.013 121.250 120.200 0.062 0.000 2.208 468 E HA -0.019 4.336 4.350 0.009 0.000 0.193 468 E C 2.188 178.836 176.600 0.080 0.000 0.988 468 E CA 0.655 57.077 56.400 0.037 0.000 0.828 468 E CB -0.169 29.522 29.700 -0.016 0.000 0.763 468 E HN 0.559 nan 8.360 nan 0.000 0.478 469 E N 0.461 120.754 120.200 0.155 0.000 2.077 469 E HA -0.154 4.201 4.350 0.009 0.000 0.193 469 E C 2.084 178.842 176.600 0.262 0.000 0.989 469 E CA 0.560 57.165 56.400 0.341 0.000 0.800 469 E CB -0.032 29.996 29.700 0.547 0.000 0.746 469 E HN 0.030 nan 8.360 nan 0.000 0.452 470 R N 0.866 121.437 120.500 0.118 0.000 2.120 470 R HA -0.124 4.221 4.340 0.009 0.000 0.234 470 R C 2.051 178.362 176.300 0.017 0.000 1.123 470 R CA 0.983 57.089 56.100 0.010 0.000 0.975 470 R CB -0.177 30.125 30.300 0.003 0.000 0.866 470 R HN 0.233 nan 8.270 nan 0.000 0.446 471 I N -0.423 120.183 120.570 0.060 0.000 2.400 471 I HA -0.205 3.970 4.170 0.009 0.000 0.248 471 I C 2.088 178.249 176.117 0.073 0.000 1.109 471 I CA 0.496 61.823 61.300 0.044 0.000 1.425 471 I CB -0.307 37.718 38.000 0.041 0.000 1.094 471 I HN 0.037 nan 8.210 nan 0.000 0.425 472 F N 2.074 121.994 119.950 -0.050 0.000 2.134 472 F HA -0.204 4.327 4.527 0.008 0.000 0.299 472 F C 2.425 178.222 175.800 -0.006 0.000 1.097 472 F CA 1.267 59.227 58.000 -0.067 0.000 1.264 472 F CB -0.587 38.316 39.000 -0.163 0.000 1.001 472 F HN 0.014 nan 8.300 nan 0.000 0.479 473 A N 0.258 123.034 122.820 -0.072 0.000 1.883 473 A HA -0.278 4.048 4.320 0.009 0.000 0.217 473 A C 2.203 179.653 177.584 -0.223 0.000 1.186 473 A CA 2.034 53.967 52.037 -0.172 0.000 0.624 473 A CB -1.066 17.848 19.000 -0.143 0.000 0.822 473 A HN 0.609 nan 8.150 nan 0.000 0.444 474 Q N -1.268 118.440 119.800 -0.153 0.000 2.096 474 Q HA -0.209 4.137 4.340 0.009 0.000 0.204 474 Q C 2.418 178.307 176.000 -0.185 0.000 0.982 474 Q CA 1.679 57.398 55.803 -0.139 0.000 0.850 474 Q CB -0.183 28.502 28.738 -0.088 0.000 0.901 474 Q HN 0.662 nan 8.270 nan 0.000 0.422 475 R N 0.363 120.736 120.500 -0.211 0.000 2.092 475 R HA -0.089 4.256 4.340 0.009 0.000 0.231 475 R C 2.213 178.222 176.300 -0.485 0.000 1.119 475 R CA 0.847 56.752 56.100 -0.325 0.000 0.970 475 R CB -0.046 30.139 30.300 -0.191 0.000 0.864 475 R HN 0.239 nan 8.270 nan 0.000 0.440 476 L N -0.184 120.832 121.223 -0.344 0.000 2.056 476 L HA -0.152 4.193 4.340 0.009 0.000 0.207 476 L C 2.480 179.308 176.870 -0.069 0.000 1.078 476 L CA 1.227 55.971 54.840 -0.162 0.000 0.749 476 L CB -0.242 41.575 42.059 -0.402 0.000 0.901 476 L HN 0.272 nan 8.230 nan 0.000 0.433 477 M N -0.777 118.716 119.600 -0.179 0.000 2.159 477 M HA -0.200 4.286 4.480 0.009 0.000 0.263 477 M C 2.275 178.561 176.300 -0.023 0.000 1.063 477 M CA 1.554 56.782 55.300 -0.120 0.000 1.110 477 M CB -0.277 32.234 32.600 -0.148 0.000 1.374 477 M HN 0.061 nan 8.290 nan 0.000 0.411 478 K N -0.160 120.184 120.400 -0.093 0.000 2.032 478 K HA -0.165 4.161 4.320 0.009 0.000 0.209 478 K C 1.931 178.562 176.600 0.053 0.000 1.048 478 K CA 1.738 57.978 56.287 -0.078 0.000 0.927 478 K CB -0.462 31.925 32.500 -0.189 0.000 0.712 478 K HN 0.317 nan 8.250 nan 0.000 0.441 479 Y N -0.028 120.385 120.300 0.188 0.000 2.097 479 Y HA -0.245 4.312 4.550 0.011 0.000 0.282 479 Y C 2.466 178.478 175.900 0.187 0.000 1.152 479 Y CA 0.805 59.045 58.100 0.233 0.000 1.136 479 Y CB -0.956 37.774 38.460 0.450 0.000 0.975 479 Y HN 0.231 nan 8.280 nan 0.000 0.498 480 W N 0.724 122.092 121.300 0.113 0.000 2.333 480 W HA -0.275 4.390 4.660 0.008 0.000 0.316 480 W C 2.642 179.154 176.519 -0.012 0.000 1.215 480 W CA 2.583 59.925 57.345 -0.005 0.000 1.278 480 W CB -0.845 28.535 29.460 -0.133 0.000 1.154 480 W HN 0.259 nan 8.180 nan 0.000 0.486 481 T N -1.665 112.986 114.554 0.162 0.000 2.821 481 T HA -0.183 4.173 4.350 0.009 0.000 0.267 481 T C 1.453 176.175 174.700 0.036 0.000 1.046 481 T CA 1.434 63.563 62.100 0.050 0.000 1.139 481 T CB -0.700 68.174 68.868 0.011 0.000 0.871 481 T HN -0.070 nan 8.240 nan 0.000 0.454 482 N N 0.999 119.735 118.700 0.059 0.000 2.104 482 N HA -0.045 4.700 4.740 0.009 0.000 0.190 482 N C 1.381 176.878 175.510 -0.022 0.000 1.024 482 N CA 1.235 54.299 53.050 0.023 0.000 0.853 482 N CB -0.751 37.769 38.487 0.054 0.000 1.008 482 N HN 0.523 nan 8.380 nan 0.000 0.424 483 F N 1.568 121.421 119.950 -0.161 0.000 2.102 483 F HA -0.106 4.426 4.527 0.009 0.000 0.298 483 F C 2.189 177.897 175.800 -0.153 0.000 1.105 483 F CA 1.430 59.282 58.000 -0.247 0.000 1.239 483 F CB -0.431 38.328 39.000 -0.403 0.000 0.991 483 F HN 0.043 nan 8.300 nan 0.000 0.474 484 A N 0.482 123.258 122.820 -0.072 0.000 1.940 484 A HA -0.212 4.113 4.320 0.009 0.000 0.219 484 A C 2.367 179.853 177.584 -0.163 0.000 1.176 484 A CA 1.872 53.843 52.037 -0.110 0.000 0.631 484 A CB -0.730 18.259 19.000 -0.018 0.000 0.814 484 A HN 0.475 nan 8.150 nan 0.000 0.446 485 R N -1.394 119.028 120.500 -0.131 0.000 2.062 485 R HA -0.064 4.282 4.340 0.009 0.000 0.229 485 R C 2.104 178.316 176.300 -0.146 0.000 1.128 485 R CA 1.844 57.881 56.100 -0.105 0.000 0.960 485 R CB -0.171 30.092 30.300 -0.062 0.000 0.855 485 R HN 0.728 nan 8.270 nan 0.000 0.432 486 T N -5.316 109.120 114.554 -0.197 0.000 2.975 486 T HA 0.226 4.581 4.350 0.009 0.000 0.261 486 T C 1.133 175.685 174.700 -0.246 0.000 0.984 486 T CA 0.449 62.444 62.100 -0.175 0.000 0.911 486 T CB 1.341 70.140 68.868 -0.114 0.000 1.127 486 T HN 0.336 nan 8.240 nan 0.000 0.514 487 G N 1.403 109.921 108.800 -0.470 0.000 2.148 487 G HA2 -0.162 3.803 3.960 0.009 0.000 0.254 487 G HA3 -0.162 3.803 3.960 0.009 0.000 0.254 487 G C -0.346 174.350 174.900 -0.340 0.000 0.981 487 G CA 0.217 44.954 45.100 -0.606 0.000 0.670 487 G HN 0.878 nan 8.290 nan 0.000 0.528 488 D N -0.983 119.241 120.400 -0.292 0.000 2.890 488 D HA 0.447 5.092 4.640 0.009 0.000 0.233 488 D C -1.308 174.827 176.300 -0.275 0.000 1.306 488 D CA -1.512 52.305 54.000 -0.304 0.000 0.929 488 D CB 1.922 42.657 40.800 -0.109 0.000 1.512 488 D HN -0.027 nan 8.370 nan 0.000 0.568 489 P HA -0.052 nan 4.420 nan 0.000 0.226 489 P C 0.070 177.416 177.300 0.076 0.000 1.153 489 P CA 0.199 63.158 63.100 -0.235 0.000 0.777 489 P CB 0.394 31.666 31.700 -0.713 0.000 0.794 490 N N 1.134 119.840 118.700 0.010 0.000 2.399 490 N HA 0.028 4.774 4.740 0.009 0.000 0.250 490 N C 0.045 175.629 175.510 0.122 0.000 1.272 490 N CA 0.313 53.457 53.050 0.156 0.000 0.928 490 N CB 0.428 38.998 38.487 0.138 0.000 1.158 490 N HN 0.002 nan 8.380 nan 0.000 0.463 491 D N 0.565 121.047 120.400 0.136 0.000 2.280 491 D HA 0.200 4.845 4.640 0.009 0.000 0.243 491 D C -1.539 174.801 176.300 0.067 0.000 1.129 491 D CA -1.763 52.288 54.000 0.085 0.000 0.848 491 D CB 1.501 42.348 40.800 0.079 0.000 1.107 491 D HN 0.197 nan 8.370 nan 0.000 0.471 492 P HA -0.073 nan 4.420 nan 0.000 0.216 492 P C 1.027 178.350 177.300 0.038 0.000 1.150 492 P CA 1.090 64.213 63.100 0.038 0.000 0.837 492 P CB 0.596 32.309 31.700 0.023 0.000 0.786 493 R N -0.359 120.161 120.500 0.034 0.000 2.062 493 R HA 0.021 4.366 4.340 0.009 0.000 0.213 493 R C 0.806 177.130 176.300 0.039 0.000 1.214 493 R CA 0.527 56.646 56.100 0.032 0.000 0.951 493 R CB -1.422 28.893 30.300 0.025 0.000 0.804 493 R HN 0.062 nan 8.270 nan 0.000 0.473 494 D N 1.055 121.480 120.400 0.041 0.000 2.402 494 D HA -0.059 4.586 4.640 0.009 0.000 0.268 494 D C 0.084 176.423 176.300 0.065 0.000 1.294 494 D CA 0.332 54.360 54.000 0.048 0.000 0.945 494 D CB 0.536 41.362 40.800 0.044 0.000 1.112 494 D HN 0.333 nan 8.370 nan 0.000 0.517 495 S N 2.526 118.263 115.700 0.062 0.000 2.819 495 S HA 0.151 4.626 4.470 0.009 0.000 0.249 495 S C 1.238 175.878 174.600 0.067 0.000 1.030 495 S CA -0.490 57.754 58.200 0.073 0.000 1.052 495 S CB 0.185 63.427 63.200 0.070 0.000 1.017 495 S HN 0.318 nan 8.310 nan 0.000 0.576 496 K N 2.291 122.725 120.400 0.057 0.000 2.025 496 K HA 0.044 4.369 4.320 0.009 0.000 0.207 496 K C 0.851 177.485 176.600 0.057 0.000 1.049 496 K CA 1.207 57.524 56.287 0.050 0.000 0.933 496 K CB -0.192 32.332 32.500 0.040 0.000 0.714 496 K HN 0.588 nan 8.250 nan 0.000 0.438 497 S N 2.468 118.208 115.700 0.067 0.000 2.562 497 S HA 0.151 4.627 4.470 0.009 0.000 0.281 497 S C -2.297 172.365 174.600 0.102 0.000 1.333 497 S CA -1.518 56.730 58.200 0.081 0.000 1.052 497 S CB 0.295 63.549 63.200 0.091 0.000 0.884 497 S HN 0.017 nan 8.310 nan 0.000 0.506 498 P HA 0.090 nan 4.420 nan 0.000 0.269 498 P C -0.469 176.916 177.300 0.142 0.000 1.209 498 P CA -0.209 62.950 63.100 0.098 0.000 0.776 498 P CB 0.403 32.144 31.700 0.068 0.000 0.876 499 Q N 0.834 120.721 119.800 0.145 0.000 2.340 499 Q HA 0.100 4.445 4.340 0.009 0.000 0.249 499 Q C -0.523 175.637 176.000 0.267 0.000 0.957 499 Q CA 0.296 56.219 55.803 0.201 0.000 0.882 499 Q CB 0.786 29.625 28.738 0.170 0.000 1.235 499 Q HN 0.575 nan 8.270 nan 0.000 0.439 500 W N 6.190 127.558 121.300 0.114 0.000 2.288 500 W HA 0.335 5.000 4.660 0.008 0.000 0.325 500 W C -2.499 174.168 176.519 0.247 0.000 1.019 500 W CA -2.706 54.721 57.345 0.137 0.000 1.403 500 W CB 0.547 30.044 29.460 0.061 0.000 1.226 500 W HN 0.367 nan 8.180 nan 0.000 0.391 501 P HA 0.271 nan 4.420 nan 0.000 0.282 501 P C -2.568 174.870 177.300 0.231 0.000 1.249 501 P CA -1.662 61.629 63.100 0.318 0.000 0.806 501 P CB 0.870 32.687 31.700 0.195 0.000 0.984 502 P HA -0.001 nan 4.420 nan 0.000 0.268 502 P C -0.599 176.685 177.300 -0.026 0.000 1.208 502 P CA 0.284 63.137 63.100 -0.411 0.000 0.777 502 P CB 0.052 31.509 31.700 -0.405 0.000 0.875 503 Y N 2.473 122.721 120.300 -0.087 0.000 2.359 503 Y HA 0.360 4.917 4.550 0.011 0.000 0.334 503 Y C 0.346 176.244 175.900 -0.003 0.000 1.058 503 Y CA 0.376 58.494 58.100 0.031 0.000 1.244 503 Y CB 0.337 38.843 38.460 0.076 0.000 1.187 503 Y HN 0.383 nan 8.280 nan 0.000 0.510 504 T N 0.707 115.011 114.554 -0.416 0.000 2.916 504 T HA 0.241 4.597 4.350 0.009 0.000 0.292 504 T C 0.767 175.193 174.700 -0.457 0.000 1.055 504 T CA -0.529 61.390 62.100 -0.302 0.000 1.009 504 T CB 1.546 70.324 68.868 -0.151 0.000 1.118 504 T HN 0.576 nan 8.240 nan 0.000 0.497 505 T N 1.346 115.770 114.554 -0.217 0.000 2.684 505 T HA -0.089 4.266 4.350 0.009 0.000 0.267 505 T C 2.369 176.995 174.700 -0.124 0.000 1.036 505 T CA 1.896 63.913 62.100 -0.138 0.000 1.148 505 T CB -0.889 67.958 68.868 -0.035 0.000 0.863 505 T HN 0.835 nan 8.240 nan 0.000 0.436 506 A N 1.118 123.879 122.820 -0.098 0.000 1.873 506 A HA 0.032 4.358 4.320 0.009 0.000 0.218 506 A C 2.389 179.928 177.584 -0.075 0.000 1.193 506 A CA 2.300 54.298 52.037 -0.066 0.000 0.629 506 A CB -0.834 18.138 19.000 -0.047 0.000 0.826 506 A HN 0.569 nan 8.150 nan 0.000 0.447 507 A N -2.877 119.872 122.820 -0.118 0.000 2.287 507 A HA 0.361 4.686 4.320 0.009 0.000 0.214 507 A C 0.796 178.321 177.584 -0.099 0.000 1.228 507 A CA 0.752 52.741 52.037 -0.080 0.000 0.939 507 A CB -0.049 18.922 19.000 -0.049 0.000 0.992 507 A HN 0.519 nan 8.150 nan 0.000 0.502 508 Q N 0.292 119.913 119.800 -0.298 0.000 2.416 508 Q HA -0.237 4.109 4.340 0.009 0.000 0.319 508 Q C -0.700 175.384 176.000 0.139 0.000 1.318 508 Q CA 0.767 56.342 55.803 -0.380 0.000 0.915 508 Q CB -1.639 27.081 28.738 -0.030 0.000 1.184 508 Q HN 0.813 nan 8.270 nan 0.000 0.444 509 Q N 0.438 120.312 119.800 0.123 0.000 2.261 509 Q HA 0.530 4.875 4.340 0.009 0.000 0.252 509 Q C -0.461 175.833 176.000 0.490 0.000 0.915 509 Q CA -0.264 55.689 55.803 0.250 0.000 0.915 509 Q CB 0.742 29.552 28.738 0.120 0.000 1.204 509 Q HN 0.352 nan 8.270 nan 0.000 0.421 510 Y N -1.469 118.965 120.300 0.223 0.000 2.689 510 Y HA 0.755 5.317 4.550 0.019 0.000 0.333 510 Y C -1.098 174.805 175.900 0.005 0.000 1.190 510 Y CA -1.526 56.688 58.100 0.189 0.000 1.063 510 Y CB 0.526 39.090 38.460 0.173 0.000 1.294 510 Y HN 0.341 nan 8.280 nan 0.000 0.466 511 V N -0.541 119.287 119.914 -0.143 0.000 2.864 511 V HA 0.840 4.966 4.120 0.009 0.000 0.314 511 V C -0.207 175.785 176.094 -0.169 0.000 1.073 511 V CA -0.565 61.507 62.300 -0.379 0.000 0.956 511 V CB 1.247 32.600 31.823 -0.782 0.000 1.023 511 V HN 1.230 nan 8.190 nan 0.000 0.435 512 S N 3.730 119.339 115.700 -0.153 0.000 2.537 512 S HA 0.703 5.179 4.470 0.009 0.000 0.275 512 S C -0.482 174.086 174.600 -0.053 0.000 1.272 512 S CA -0.647 57.536 58.200 -0.027 0.000 1.050 512 S CB 0.654 63.833 63.200 -0.036 0.000 0.961 512 S HN 0.779 nan 8.310 nan 0.000 0.496 513 L N 4.005 125.245 121.223 0.028 0.000 2.276 513 L HA 0.546 4.891 4.340 0.009 0.000 0.286 513 L C -0.144 176.636 176.870 -0.150 0.000 1.024 513 L CA -0.411 54.463 54.840 0.057 0.000 0.826 513 L CB 0.290 42.472 42.059 0.204 0.000 1.211 513 L HN 1.014 nan 8.230 nan 0.000 0.422 514 N N 1.795 120.345 118.700 -0.250 0.000 3.378 514 N HA 0.291 5.037 4.740 0.009 0.000 0.294 514 N C 0.126 175.143 175.510 -0.820 0.000 1.544 514 N CA -0.971 51.658 53.050 -0.701 0.000 0.872 514 N CB 0.569 38.819 38.487 -0.395 0.000 1.670 514 N HN 0.203 nan 8.380 nan 0.000 0.551 515 L N -0.924 119.804 121.223 -0.825 0.000 2.353 515 L HA 0.059 4.405 4.340 0.009 0.000 0.220 515 L C 0.602 177.306 176.870 -0.277 0.000 1.133 515 L CA 0.953 55.419 54.840 -0.624 0.000 0.798 515 L CB -0.586 41.171 42.059 -0.503 0.000 0.922 515 L HN 0.399 nan 8.230 nan 0.000 0.445 516 K N -0.026 120.249 120.400 -0.208 0.000 2.107 516 K HA 0.275 4.600 4.320 0.009 0.000 0.251 516 K C -2.092 174.480 176.600 -0.047 0.000 1.012 516 K CA -1.868 54.359 56.287 -0.101 0.000 0.920 516 K CB 0.098 32.547 32.500 -0.086 0.000 1.033 516 K HN -0.229 nan 8.250 nan 0.000 0.478 517 P HA -0.074 nan 4.420 nan 0.000 0.271 517 P C -0.351 176.961 177.300 0.020 0.000 1.233 517 P CA -0.057 63.062 63.100 0.031 0.000 0.795 517 P CB 0.394 32.111 31.700 0.028 0.000 0.936 518 L N 1.107 122.359 121.223 0.047 0.000 2.514 518 L HA 0.033 4.378 4.340 0.009 0.000 0.280 518 L C 0.979 177.822 176.870 -0.044 0.000 1.223 518 L CA 0.841 55.673 54.840 -0.013 0.000 0.864 518 L CB -0.128 41.923 42.059 -0.013 0.000 1.118 518 L HN 0.523 nan 8.230 nan 0.000 0.494 519 E N 2.429 122.573 120.200 -0.094 0.000 2.234 519 E HA 0.391 4.746 4.350 0.009 0.000 0.266 519 E C -1.435 175.070 176.600 -0.158 0.000 0.877 519 E CA -0.712 55.630 56.400 -0.097 0.000 0.758 519 E CB 2.189 31.838 29.700 -0.085 0.000 1.170 519 E HN 0.289 nan 8.360 nan 0.000 0.415 520 V N 4.719 124.552 119.914 -0.135 0.000 2.607 520 V HA 0.443 4.568 4.120 0.009 0.000 0.289 520 V C 0.310 176.257 176.094 -0.244 0.000 1.053 520 V CA -0.213 61.978 62.300 -0.182 0.000 0.996 520 V CB 1.142 32.915 31.823 -0.084 0.000 0.995 520 V HN 0.679 nan 8.190 nan 0.000 0.476 521 R N 3.887 124.115 120.500 -0.452 0.000 2.867 521 R HA 0.680 5.026 4.340 0.009 0.000 0.268 521 R C -1.056 175.041 176.300 -0.338 0.000 1.014 521 R CA -1.038 54.795 56.100 -0.446 0.000 0.946 521 R CB 2.472 32.375 30.300 -0.662 0.000 1.208 521 R HN 0.565 nan 8.270 nan 0.000 0.477 522 R N 0.173 120.643 120.500 -0.049 0.000 2.494 522 R HA 0.496 4.841 4.340 0.009 0.000 0.305 522 R C -0.440 176.030 176.300 0.284 0.000 0.959 522 R CA -0.495 55.680 56.100 0.124 0.000 0.864 522 R CB 2.109 32.450 30.300 0.070 0.000 1.159 522 R HN 0.936 nan 8.270 nan 0.000 0.446 523 G N 2.373 111.410 108.800 0.396 0.000 3.439 523 G HA2 -0.194 3.772 3.960 0.009 0.000 0.684 523 G HA3 -0.194 3.772 3.960 0.009 0.000 0.684 523 G C -1.214 173.895 174.900 0.349 0.000 1.005 523 G CA -0.963 44.337 45.100 0.333 0.000 0.837 523 G HN 0.346 nan 8.290 nan 0.000 0.470 524 L N 4.385 125.711 121.223 0.171 0.000 2.282 524 L HA 0.528 4.874 4.340 0.009 0.000 0.287 524 L C 1.540 178.434 176.870 0.040 0.000 1.075 524 L CA -0.669 54.113 54.840 -0.096 0.000 0.839 524 L CB 0.110 42.030 42.059 -0.231 0.000 1.219 524 L HN 0.687 nan 8.230 nan 0.000 0.434 525 R N 3.296 123.847 120.500 0.085 0.000 2.955 525 R HA -0.275 4.071 4.340 0.009 0.000 0.239 525 R C 1.261 177.666 176.300 0.174 0.000 0.848 525 R CA 0.687 56.879 56.100 0.152 0.000 0.586 525 R CB -1.798 28.608 30.300 0.177 0.000 1.098 525 R HN 0.772 nan 8.270 nan 0.000 0.499 526 A N 1.036 123.956 122.820 0.167 0.000 1.858 526 A HA -0.232 4.094 4.320 0.009 0.000 0.216 526 A C 2.051 179.734 177.584 0.166 0.000 1.190 526 A CA 1.127 53.262 52.037 0.164 0.000 0.617 526 A CB -0.118 18.974 19.000 0.152 0.000 0.827 526 A HN 0.441 nan 8.150 nan 0.000 0.443 527 Q N -0.486 119.410 119.800 0.161 0.000 2.030 527 Q HA -0.133 4.212 4.340 0.009 0.000 0.204 527 Q C 2.315 178.433 176.000 0.197 0.000 0.986 527 Q CA 2.254 58.154 55.803 0.162 0.000 0.843 527 Q CB -1.243 27.585 28.738 0.150 0.000 0.904 527 Q HN 0.675 nan 8.270 nan 0.000 0.420 528 T N 0.533 115.238 114.554 0.252 0.000 2.746 528 T HA -0.136 4.220 4.350 0.009 0.000 0.267 528 T C 2.074 177.004 174.700 0.384 0.000 1.039 528 T CA 1.288 63.569 62.100 0.301 0.000 1.142 528 T CB -0.394 68.731 68.868 0.430 0.000 0.866 528 T HN 0.313 nan 8.240 nan 0.000 0.444 529 c N 1.584 120.400 118.600 0.360 0.000 2.432 529 c HA 0.194 4.770 4.570 0.009 0.000 0.280 529 c C 3.155 177.426 174.090 0.301 0.000 1.353 529 c CA 0.049 56.604 56.329 0.377 0.000 1.766 529 c CB -1.449 41.214 42.510 0.254 0.000 1.924 529 c HN 0.651 nan 8.230 nan 0.000 0.509 530 A N -0.014 122.943 122.820 0.228 0.000 1.940 530 A HA -0.206 4.120 4.320 0.009 0.000 0.219 530 A C 1.863 179.552 177.584 0.175 0.000 1.176 530 A CA 1.662 53.804 52.037 0.175 0.000 0.631 530 A CB -0.759 18.325 19.000 0.140 0.000 0.814 530 A HN 0.575 nan 8.150 nan 0.000 0.446 531 F N -0.889 119.050 119.950 -0.018 0.000 2.075 531 F HA -0.160 4.371 4.527 0.008 0.000 0.297 531 F C 1.987 177.759 175.800 -0.048 0.000 1.113 531 F CA 1.888 59.799 58.000 -0.149 0.000 1.218 531 F CB -0.509 38.128 39.000 -0.605 0.000 0.984 531 F HN 0.369 nan 8.300 nan 0.000 0.472 532 W N 0.647 122.019 121.300 0.120 0.000 2.381 532 W HA -0.133 4.531 4.660 0.006 0.000 0.301 532 W C 2.247 178.759 176.519 -0.012 0.000 1.205 532 W CA 1.071 58.442 57.345 0.044 0.000 1.285 532 W CB -0.671 28.931 29.460 0.236 0.000 1.133 532 W HN -0.014 nan 8.180 nan 0.000 0.521 533 N N -0.168 118.691 118.700 0.264 0.000 2.290 533 N HA -0.013 4.733 4.740 0.009 0.000 0.179 533 N C 1.545 177.100 175.510 0.074 0.000 1.016 533 N CA 1.158 54.298 53.050 0.150 0.000 0.871 533 N CB -0.394 38.179 38.487 0.144 0.000 0.987 533 N HN 0.183 nan 8.380 nan 0.000 0.431 534 R N -1.020 119.522 120.500 0.069 0.000 2.102 534 R HA 0.224 4.570 4.340 0.009 0.000 0.208 534 R C 1.664 177.978 176.300 0.024 0.000 1.131 534 R CA 0.219 56.351 56.100 0.053 0.000 1.054 534 R CB -0.403 29.948 30.300 0.086 0.000 0.954 534 R HN 0.088 nan 8.270 nan 0.000 0.465 535 F N 1.246 121.097 119.950 -0.165 0.000 2.094 535 F HA 0.014 4.546 4.527 0.009 0.000 0.291 535 F C 1.855 177.471 175.800 -0.307 0.000 1.109 535 F CA 0.874 58.736 58.000 -0.230 0.000 1.221 535 F CB -0.435 38.402 39.000 -0.272 0.000 1.014 535 F HN -0.133 nan 8.300 nan 0.000 0.473 536 L N 1.069 121.888 121.223 -0.674 0.000 2.013 536 L HA -0.154 4.191 4.340 0.009 0.000 0.212 536 L C -0.774 175.805 176.870 -0.484 0.000 1.073 536 L CA 2.209 56.600 54.840 -0.747 0.000 0.753 536 L CB -1.729 39.972 42.059 -0.597 0.000 0.890 536 L HN 0.058 nan 8.230 nan 0.000 0.432 537 P HA -0.245 nan 4.420 nan 0.000 0.214 537 P C 1.227 178.381 177.300 -0.243 0.000 1.169 537 P CA 1.807 64.795 63.100 -0.187 0.000 0.908 537 P CB -0.189 31.447 31.700 -0.107 0.000 0.791 538 K N -1.000 119.229 120.400 -0.285 0.000 2.281 538 K HA -0.130 4.196 4.320 0.009 0.000 0.203 538 K C 1.525 177.932 176.600 -0.323 0.000 1.046 538 K CA 0.849 56.985 56.287 -0.252 0.000 0.938 538 K CB -0.867 31.520 32.500 -0.190 0.000 0.737 538 K HN 0.140 nan 8.250 nan 0.000 0.458 539 L N 1.228 122.130 121.223 -0.534 0.000 2.713 539 L HA 0.050 4.396 4.340 0.009 0.000 0.245 539 L C 1.064 177.786 176.870 -0.247 0.000 1.169 539 L CA 0.728 55.302 54.840 -0.443 0.000 0.962 539 L CB -0.148 41.515 42.059 -0.660 0.000 1.161 539 L HN 0.098 nan 8.230 nan 0.000 0.427 540 L N -2.708 118.398 121.223 -0.195 0.000 3.017 540 L HA 0.215 4.560 4.340 0.009 0.000 0.265 540 L C 1.200 178.016 176.870 -0.089 0.000 1.128 540 L CA 0.022 54.790 54.840 -0.120 0.000 0.984 540 L CB 0.323 42.320 42.059 -0.103 0.000 1.464 540 L HN -0.060 nan 8.230 nan 0.000 0.556 541 S N 1.798 117.440 115.700 -0.097 0.000 3.593 541 S HA 0.502 4.978 4.470 0.009 0.000 0.224 541 S C 0.318 174.882 174.600 -0.061 0.000 1.333 541 S CA 0.299 58.458 58.200 -0.069 0.000 1.164 541 S CB -0.524 62.637 63.200 -0.064 0.000 1.281 541 S HN 0.391 nan 8.310 nan 0.000 0.457 542 A N 0.000 122.786 122.820 -0.057 0.000 2.254 542 A HA 0.000 4.325 4.320 0.009 0.000 0.244 542 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 542 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486