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 2gyw_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 GESAGAASVG 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 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.416 56.400 0.026 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 0.380 109.192 108.800 0.021 0.000 2.284 2 G HA2 -0.335 3.633 3.960 0.013 0.000 0.247 2 G HA3 -0.335 3.633 3.960 0.013 0.000 0.247 2 G C 1.216 176.125 174.900 0.016 0.000 1.012 2 G CA 0.977 46.087 45.100 0.017 0.000 0.618 2 G HN 0.248 nan 8.290 nan 0.000 0.521 3 R N 0.811 121.321 120.500 0.017 0.000 2.175 3 R HA 0.369 4.717 4.340 0.013 0.000 0.202 3 R C 1.269 177.580 176.300 0.018 0.000 1.018 3 R CA 0.805 56.914 56.100 0.015 0.000 1.029 3 R CB -0.114 30.193 30.300 0.011 0.000 0.959 3 R HN 0.637 nan 8.270 nan 0.000 0.480 4 E N 1.050 121.263 120.200 0.023 0.000 2.425 4 E HA -0.054 4.304 4.350 0.013 0.000 0.258 4 E C -0.424 176.199 176.600 0.038 0.000 1.151 4 E CA -0.004 56.413 56.400 0.028 0.000 0.958 4 E CB 0.289 30.009 29.700 0.034 0.000 0.968 4 E HN 0.005 nan 8.360 nan 0.000 0.451 5 D N 2.006 122.436 120.400 0.049 0.000 2.363 5 D HA -0.015 4.633 4.640 0.013 0.000 0.263 5 D C -1.546 174.799 176.300 0.076 0.000 1.258 5 D CA -1.761 52.284 54.000 0.075 0.000 0.907 5 D CB 0.826 41.691 40.800 0.109 0.000 1.107 5 D HN 0.124 nan 8.370 nan 0.000 0.495 6 P HA -0.170 nan 4.420 nan 0.000 0.220 6 P C 0.943 178.266 177.300 0.038 0.000 1.144 6 P CA 0.828 63.952 63.100 0.039 0.000 0.800 6 P CB 0.435 32.147 31.700 0.020 0.000 0.772 7 Q N -0.895 118.927 119.800 0.037 0.000 2.403 7 Q HA 0.154 4.502 4.340 0.013 0.000 0.203 7 Q C 1.619 177.700 176.000 0.135 0.000 0.932 7 Q CA 0.351 56.156 55.803 0.003 0.000 0.945 7 Q CB 0.094 28.696 28.738 -0.228 0.000 1.045 7 Q HN 0.405 nan 8.270 nan 0.000 0.511 8 L N -0.033 121.292 121.223 0.171 0.000 2.693 8 L HA 0.258 4.606 4.340 0.013 0.000 0.235 8 L C 0.053 177.117 176.870 0.322 0.000 1.127 8 L CA 0.060 55.030 54.840 0.217 0.000 0.914 8 L CB 0.482 42.585 42.059 0.074 0.000 1.193 8 L HN -0.047 nan 8.230 nan 0.000 0.502 9 L N 0.976 122.335 121.223 0.227 0.000 2.280 9 L HA 0.557 4.905 4.340 0.013 0.000 0.287 9 L C -0.756 176.172 176.870 0.098 0.000 1.023 9 L CA -0.442 54.506 54.840 0.179 0.000 0.819 9 L CB 1.801 43.920 42.059 0.101 0.000 1.212 9 L HN -0.230 nan 8.230 nan 0.000 0.420 10 V N 3.304 123.249 119.914 0.052 0.000 2.841 10 V HA 0.494 4.621 4.120 0.013 0.000 0.310 10 V C -0.435 175.578 176.094 -0.134 0.000 1.090 10 V CA -0.750 61.431 62.300 -0.197 0.000 0.930 10 V CB 2.822 34.258 31.823 -0.644 0.000 1.014 10 V HN 0.732 nan 8.190 nan 0.000 0.425 11 R N 2.480 122.874 120.500 -0.177 0.000 2.460 11 R HA 0.832 5.180 4.340 0.013 0.000 0.303 11 R C -0.789 175.414 176.300 -0.161 0.000 0.968 11 R CA -0.316 55.718 56.100 -0.110 0.000 0.889 11 R CB 1.844 32.082 30.300 -0.103 0.000 1.123 11 R HN 0.702 nan 8.270 nan 0.000 0.455 12 V N 1.676 121.555 119.914 -0.059 0.000 3.204 12 V HA 0.512 4.640 4.120 0.013 0.000 0.316 12 V C 1.065 177.080 176.094 -0.132 0.000 1.160 12 V CA -0.954 61.309 62.300 -0.063 0.000 1.044 12 V CB 1.562 33.501 31.823 0.193 0.000 1.136 12 V HN 0.857 nan 8.190 nan 0.000 0.455 13 R N 1.168 121.579 120.500 -0.148 0.000 2.127 13 R HA 0.034 4.382 4.340 0.013 0.000 0.238 13 R C 1.786 177.961 176.300 -0.209 0.000 1.134 13 R CA 2.344 58.351 56.100 -0.154 0.000 0.975 13 R CB -1.162 29.062 30.300 -0.127 0.000 0.865 13 R HN 1.021 nan 8.270 nan 0.000 0.447 14 G N -1.843 106.796 108.800 -0.270 0.000 2.712 14 G HA2 0.379 4.347 3.960 0.013 0.000 0.212 14 G HA3 0.379 4.347 3.960 0.013 0.000 0.212 14 G C 0.389 174.380 174.900 -1.514 0.000 1.142 14 G CA 0.363 45.054 45.100 -0.682 0.000 0.789 14 G HN 0.728 nan 8.290 nan 0.000 0.535 15 G N -1.128 107.021 108.800 -1.086 0.000 2.332 15 G HA2 0.144 4.112 3.960 0.013 0.000 0.265 15 G HA3 0.144 4.112 3.960 0.013 0.000 0.265 15 G C -1.309 173.476 174.900 -0.192 0.000 1.329 15 G CA -0.907 43.669 45.100 -0.873 0.000 0.949 15 G HN 0.252 nan 8.290 nan 0.000 0.476 16 Q N -0.282 119.573 119.800 0.092 0.000 2.243 16 Q HA 0.683 5.030 4.340 0.013 0.000 0.252 16 Q C -0.515 175.765 176.000 0.466 0.000 0.909 16 Q CA -0.200 55.751 55.803 0.248 0.000 0.922 16 Q CB 1.517 30.351 28.738 0.161 0.000 1.215 16 Q HN 0.432 nan 8.270 nan 0.000 0.427 17 L N 1.995 123.426 121.223 0.347 0.000 2.362 17 L HA 0.613 4.961 4.340 0.013 0.000 0.271 17 L C -0.457 176.617 176.870 0.340 0.000 1.002 17 L CA -0.770 54.295 54.840 0.376 0.000 0.818 17 L CB 2.098 44.425 42.059 0.447 0.000 1.298 17 L HN 0.437 nan 8.230 nan 0.000 0.420 18 R N 0.924 121.592 120.500 0.280 0.000 2.393 18 R HA 0.646 4.993 4.340 0.013 0.000 0.315 18 R C -0.275 176.090 176.300 0.108 0.000 0.952 18 R CA -0.314 55.909 56.100 0.206 0.000 0.842 18 R CB 1.707 32.067 30.300 0.100 0.000 1.163 18 R HN 0.834 nan 8.270 nan 0.000 0.450 19 G N 3.274 112.031 108.800 -0.072 0.000 2.568 19 G HA2 0.477 4.445 3.960 0.013 0.000 0.293 19 G HA3 0.477 4.445 3.960 0.013 0.000 0.293 19 G C -1.012 173.641 174.900 -0.412 0.000 1.347 19 G CA -0.700 44.012 45.100 -0.647 0.000 1.039 19 G HN 0.579 nan 8.290 nan 0.000 0.523 20 I N -0.753 119.532 120.570 -0.475 0.000 2.608 20 I HA 0.496 4.674 4.170 0.013 0.000 0.295 20 I C -0.105 175.866 176.117 -0.243 0.000 1.049 20 I CA -1.129 60.001 61.300 -0.283 0.000 1.063 20 I CB 2.051 39.900 38.000 -0.252 0.000 1.248 20 I HN 0.403 nan 8.210 nan 0.000 0.424 21 R N 7.825 128.212 120.500 -0.188 0.000 2.210 21 R HA 0.473 4.821 4.340 0.013 0.000 0.338 21 R C -1.510 174.664 176.300 -0.210 0.000 1.062 21 R CA -0.342 55.611 56.100 -0.245 0.000 0.902 21 R CB 0.399 30.474 30.300 -0.374 0.000 1.050 21 R HN 0.638 nan 8.270 nan 0.000 0.461 22 L N 3.228 124.353 121.223 -0.164 0.000 2.352 22 L HA 0.440 4.788 4.340 0.013 0.000 0.269 22 L C 0.346 177.141 176.870 -0.126 0.000 1.034 22 L CA -0.896 53.874 54.840 -0.116 0.000 0.806 22 L CB 1.382 43.413 42.059 -0.046 0.000 1.244 22 L HN 0.381 nan 8.230 nan 0.000 0.447 23 K N 1.818 122.153 120.400 -0.108 0.000 2.263 23 K HA 0.613 4.941 4.320 0.013 0.000 0.272 23 K C -0.948 175.589 176.600 -0.105 0.000 1.033 23 K CA -0.226 56.002 56.287 -0.098 0.000 0.884 23 K CB 1.546 34.001 32.500 -0.076 0.000 1.107 23 K HN 0.718 nan 8.250 nan 0.000 0.460 24 A N 5.257 128.017 122.820 -0.101 0.000 2.311 24 A HA 0.540 4.867 4.320 0.013 0.000 0.334 24 A C -1.921 175.656 177.584 -0.011 0.000 1.139 24 A CA -1.595 50.373 52.037 -0.115 0.000 0.830 24 A CB 0.726 19.635 19.000 -0.152 0.000 1.234 24 A HN 0.449 nan 8.150 nan 0.000 0.483 25 P HA -0.155 nan 4.420 nan 0.000 0.216 25 P C 1.332 178.659 177.300 0.044 0.000 1.154 25 P CA 2.256 65.401 63.100 0.076 0.000 0.865 25 P CB 0.185 31.962 31.700 0.127 0.000 0.789 26 G N -2.415 106.412 108.800 0.046 0.000 3.042 26 G HA2 0.435 4.403 3.960 0.013 0.000 0.212 26 G HA3 0.435 4.403 3.960 0.013 0.000 0.212 26 G C 0.556 175.471 174.900 0.024 0.000 1.166 26 G CA 0.508 45.629 45.100 0.034 0.000 0.767 26 G HN 0.631 nan 8.290 nan 0.000 0.546 27 G N -0.550 108.257 108.800 0.012 0.000 2.369 27 G HA2 0.335 4.303 3.960 0.013 0.000 0.293 27 G HA3 0.335 4.303 3.960 0.013 0.000 0.293 27 G C -3.400 171.488 174.900 -0.020 0.000 1.301 27 G CA -0.664 44.438 45.100 0.003 0.000 0.913 27 G HN 0.057 nan 8.290 nan 0.000 0.540 28 P HA 0.545 nan 4.420 nan 0.000 0.277 28 P C -0.037 177.259 177.300 -0.006 0.000 1.240 28 P CA -0.301 62.731 63.100 -0.113 0.000 0.798 28 P CB 1.669 33.176 31.700 -0.322 0.000 0.979 29 V N -1.244 118.663 119.914 -0.012 0.000 3.001 29 V HA 0.691 4.819 4.120 0.013 0.000 0.314 29 V C -0.363 175.812 176.094 0.135 0.000 1.099 29 V CA -0.909 61.467 62.300 0.126 0.000 0.989 29 V CB 1.770 33.678 31.823 0.141 0.000 1.040 29 V HN 0.455 nan 8.190 nan 0.000 0.434 30 S N 1.652 117.500 115.700 0.247 0.000 2.508 30 S HA 0.887 5.365 4.470 0.013 0.000 0.284 30 S C -0.016 174.590 174.600 0.011 0.000 1.192 30 S CA -0.025 58.269 58.200 0.157 0.000 1.070 30 S CB 1.322 64.727 63.200 0.342 0.000 1.004 30 S HN 1.636 nan 8.310 nan 0.000 0.493 31 A N 2.378 124.994 122.820 -0.339 0.000 2.398 31 A HA 0.797 5.124 4.320 0.013 0.000 0.301 31 A C -1.397 175.753 177.584 -0.724 0.000 1.041 31 A CA -0.650 51.081 52.037 -0.510 0.000 0.711 31 A CB 0.633 19.286 19.000 -0.577 0.000 1.240 31 A HN 0.669 nan 8.150 nan 0.000 0.420 32 F N 2.551 122.302 119.950 -0.330 0.000 2.430 32 F HA 0.523 5.058 4.527 0.013 0.000 0.362 32 F C -0.269 175.329 175.800 -0.336 0.000 1.103 32 F CA -0.293 57.595 58.000 -0.187 0.000 1.045 32 F CB 1.498 40.526 39.000 0.045 0.000 1.276 32 F HN 0.363 nan 8.300 nan 0.000 0.444 33 L N 2.069 123.131 121.223 -0.268 0.000 2.346 33 L HA 0.713 5.061 4.340 0.013 0.000 0.274 33 L C 0.817 177.564 176.870 -0.206 0.000 1.007 33 L CA -1.149 53.458 54.840 -0.389 0.000 0.818 33 L CB 1.892 43.500 42.059 -0.752 0.000 1.284 33 L HN 0.795 nan 8.230 nan 0.000 0.424 34 G N 3.010 111.749 108.800 -0.101 0.000 2.295 34 G HA2 -0.267 3.701 3.960 0.013 0.000 0.287 34 G HA3 -0.267 3.701 3.960 0.013 0.000 0.287 34 G C -0.172 174.749 174.900 0.035 0.000 1.055 34 G CA -0.221 44.840 45.100 -0.064 0.000 0.922 34 G HN 0.476 nan 8.290 nan 0.000 0.503 35 I N 2.160 122.771 120.570 0.068 0.000 2.436 35 I HA 0.224 4.402 4.170 0.013 0.000 0.289 35 I C -1.375 174.809 176.117 0.113 0.000 1.083 35 I CA -2.055 59.278 61.300 0.055 0.000 1.372 35 I CB 0.909 38.906 38.000 -0.006 0.000 1.408 35 I HN -0.001 nan 8.210 nan 0.000 0.516 36 P HA 0.011 nan 4.420 nan 0.000 0.271 36 P C -0.122 177.137 177.300 -0.068 0.000 1.220 36 P CA 0.057 63.044 63.100 -0.188 0.000 0.768 36 P CB 0.411 31.991 31.700 -0.198 0.000 0.848 37 F N 1.289 121.101 119.950 -0.231 0.000 2.682 37 F HA 0.706 5.241 4.527 0.014 0.000 0.308 37 F C 0.173 175.974 175.800 0.002 0.000 1.093 37 F CA -0.661 57.278 58.000 -0.102 0.000 1.244 37 F CB 0.227 39.079 39.000 -0.248 0.000 1.052 37 F HN 0.317 nan 8.300 nan 0.000 0.573 38 A N 0.069 122.609 122.820 -0.466 0.000 2.566 38 A HA 0.590 4.918 4.320 0.013 0.000 0.292 38 A C -0.868 176.565 177.584 -0.252 0.000 1.112 38 A CA -0.808 51.056 52.037 -0.289 0.000 0.707 38 A CB 0.934 19.696 19.000 -0.397 0.000 1.302 38 A HN 0.054 nan 8.150 nan 0.000 0.409 39 E N 1.394 121.518 120.200 -0.126 0.000 2.376 39 E HA 0.236 4.594 4.350 0.013 0.000 0.266 39 E C -2.306 174.202 176.600 -0.154 0.000 1.009 39 E CA -1.461 54.878 56.400 -0.101 0.000 0.902 39 E CB -0.002 29.675 29.700 -0.038 0.000 0.972 39 E HN 0.218 nan 8.360 nan 0.000 0.439 40 P HA -0.027 nan 4.420 nan 0.000 0.256 40 P C -2.214 175.022 177.300 -0.107 0.000 1.173 40 P CA -0.642 62.374 63.100 -0.140 0.000 0.768 40 P CB -0.214 31.439 31.700 -0.078 0.000 0.758 41 P HA -0.004 nan 4.420 nan 0.000 0.225 41 P C -0.183 177.058 177.300 -0.098 0.000 1.768 41 P CA 0.187 63.231 63.100 -0.092 0.000 0.943 41 P CB -0.137 31.512 31.700 -0.085 0.000 1.936 42 V N -2.559 117.303 119.914 -0.087 0.000 3.019 42 V HA 0.908 5.036 4.120 0.013 0.000 0.317 42 V C 0.874 176.921 176.094 -0.078 0.000 1.094 42 V CA 0.122 62.367 62.300 -0.091 0.000 1.000 42 V CB 0.954 32.734 31.823 -0.072 0.000 1.060 42 V HN 0.551 nan 8.190 nan 0.000 0.443 43 G N 2.584 111.336 108.800 -0.079 0.000 2.591 43 G HA2 -0.328 3.640 3.960 0.013 0.000 0.298 43 G HA3 -0.328 3.640 3.960 0.013 0.000 0.298 43 G C 1.143 176.007 174.900 -0.060 0.000 1.195 43 G CA 1.524 46.589 45.100 -0.057 0.000 0.989 43 G HN 2.421 nan 8.290 nan 0.000 0.551 44 S N 0.562 116.242 115.700 -0.034 0.000 2.603 44 S HA 0.098 4.576 4.470 0.013 0.000 0.229 44 S C 1.736 176.323 174.600 -0.022 0.000 0.972 44 S CA 1.396 59.585 58.200 -0.018 0.000 0.935 44 S CB -0.020 63.180 63.200 0.000 0.000 0.769 44 S HN 0.667 nan 8.310 nan 0.000 0.536 45 R N 0.788 121.261 120.500 -0.045 0.000 2.334 45 R HA 0.243 4.590 4.340 0.013 0.000 0.216 45 R C 0.686 176.936 176.300 -0.084 0.000 0.905 45 R CA -0.253 55.822 56.100 -0.042 0.000 1.064 45 R CB 0.028 30.305 30.300 -0.038 0.000 1.046 45 R HN 0.400 nan 8.270 nan 0.000 0.508 46 R N 0.940 121.338 120.500 -0.170 0.000 2.522 46 R HA -0.093 4.254 4.340 0.013 0.000 0.284 46 R C -0.258 175.796 176.300 -0.410 0.000 1.032 46 R CA 0.520 56.383 56.100 -0.395 0.000 1.049 46 R CB 0.124 30.058 30.300 -0.611 0.000 0.956 46 R HN 0.087 nan 8.270 nan 0.000 0.422 47 F N -0.627 119.343 119.950 0.033 0.000 2.748 47 F HA -0.298 4.237 4.527 0.013 0.000 0.370 47 F C 0.152 175.951 175.800 -0.002 0.000 0.620 47 F CA 0.484 58.483 58.000 -0.001 0.000 1.233 47 F CB -1.473 37.516 39.000 -0.018 0.000 1.708 47 F HN 0.458 nan 8.300 nan 0.000 0.298 48 M N 2.043 121.713 119.600 0.116 0.000 2.288 48 M HA 0.355 4.843 4.480 0.013 0.000 0.334 48 M C -1.821 174.513 176.300 0.056 0.000 1.150 48 M CA -1.548 53.800 55.300 0.080 0.000 1.118 48 M CB 0.407 33.036 32.600 0.050 0.000 1.501 48 M HN -0.305 nan 8.290 nan 0.000 0.462 49 P HA 0.141 nan 4.420 nan 0.000 0.268 49 P C -2.520 174.811 177.300 0.052 0.000 1.208 49 P CA -0.735 62.403 63.100 0.063 0.000 0.777 49 P CB -0.849 30.898 31.700 0.077 0.000 0.875 50 P HA 0.139 nan 4.420 nan 0.000 0.275 50 P C -0.521 176.812 177.300 0.055 0.000 1.228 50 P CA 0.133 63.258 63.100 0.042 0.000 0.786 50 P CB 0.972 32.715 31.700 0.072 0.000 0.927 51 E N 2.681 122.900 120.200 0.030 0.000 2.191 51 E HA 0.382 4.740 4.350 0.013 0.000 0.274 51 E C -2.387 174.247 176.600 0.056 0.000 0.948 51 E CA -2.450 53.978 56.400 0.047 0.000 0.802 51 E CB 0.448 30.167 29.700 0.032 0.000 1.137 51 E HN 0.320 nan 8.360 nan 0.000 0.397 52 P HA -0.100 nan 4.420 nan 0.000 0.265 52 P C -0.463 176.901 177.300 0.107 0.000 1.187 52 P CA 0.048 63.226 63.100 0.129 0.000 0.766 52 P CB 0.374 32.153 31.700 0.133 0.000 0.820 53 K N 3.803 124.287 120.400 0.140 0.000 2.447 53 K HA 0.016 4.344 4.320 0.013 0.000 0.281 53 K C -0.042 176.663 176.600 0.175 0.000 1.031 53 K CA 0.438 56.812 56.287 0.146 0.000 1.019 53 K CB 0.036 32.663 32.500 0.213 0.000 0.918 53 K HN 0.237 nan 8.250 nan 0.000 0.476 54 R N 5.216 125.801 120.500 0.141 0.000 2.491 54 R HA 0.167 4.515 4.340 0.013 0.000 0.283 54 R C -2.032 174.365 176.300 0.161 0.000 1.072 54 R CA -1.525 54.647 56.100 0.119 0.000 1.048 54 R CB 0.303 30.656 30.300 0.088 0.000 0.983 54 R HN 0.572 nan 8.270 nan 0.000 0.450 55 P HA -0.110 nan 4.420 nan 0.000 0.265 55 P C -1.140 176.187 177.300 0.046 0.000 1.187 55 P CA 0.219 63.262 63.100 -0.094 0.000 0.766 55 P CB 0.279 31.887 31.700 -0.153 0.000 0.820 56 W N 1.789 123.126 121.300 0.062 0.000 2.485 56 W HA 0.666 5.334 4.660 0.013 0.000 0.364 56 W C -0.433 176.114 176.519 0.046 0.000 1.171 56 W CA -0.902 56.476 57.345 0.054 0.000 1.304 56 W CB -0.012 29.488 29.460 0.067 0.000 1.335 56 W HN 0.370 nan 8.180 nan 0.000 0.643 57 S N 1.263 117.133 115.700 0.284 0.000 2.593 57 S HA 0.837 5.315 4.470 0.013 0.000 0.297 57 S C 0.316 175.069 174.600 0.255 0.000 1.112 57 S CA -0.046 58.253 58.200 0.166 0.000 1.043 57 S CB 0.948 64.210 63.200 0.103 0.000 1.054 57 S HN 2.115 nan 8.310 nan 0.000 0.516 58 G N 0.329 109.233 108.800 0.174 0.000 2.741 58 G HA2 -0.129 3.839 3.960 0.013 0.000 0.222 58 G HA3 -0.129 3.839 3.960 0.013 0.000 0.222 58 G C -0.743 174.317 174.900 0.267 0.000 1.364 58 G CA -0.417 44.788 45.100 0.175 0.000 0.866 58 G HN 1.635 nan 8.290 nan 0.000 0.555 59 V N 0.953 120.989 119.914 0.204 0.000 2.348 59 V HA 0.481 4.609 4.120 0.013 0.000 0.270 59 V C 0.980 177.184 176.094 0.184 0.000 1.037 59 V CA -0.158 62.276 62.300 0.222 0.000 0.872 59 V CB 1.070 32.979 31.823 0.143 0.000 1.002 59 V HN 0.804 nan 8.190 nan 0.000 0.464 60 L N 4.889 126.243 121.223 0.218 0.000 2.410 60 L HA 0.288 4.636 4.340 0.013 0.000 0.273 60 L C 0.635 177.508 176.870 0.005 0.000 1.144 60 L CA 0.117 54.932 54.840 -0.043 0.000 0.863 60 L CB 0.597 42.386 42.059 -0.450 0.000 1.140 60 L HN 0.676 nan 8.230 nan 0.000 0.463 61 D N 4.910 125.285 120.400 -0.042 0.000 2.339 61 D HA 0.134 4.782 4.640 0.013 0.000 0.256 61 D C -0.335 175.926 176.300 -0.064 0.000 1.214 61 D CA 0.040 54.018 54.000 -0.036 0.000 0.877 61 D CB 1.479 42.246 40.800 -0.055 0.000 1.111 61 D HN 0.682 nan 8.370 nan 0.000 0.478 62 A N 3.253 126.058 122.820 -0.026 0.000 3.041 62 A HA 0.190 4.517 4.320 0.013 0.000 0.307 62 A C 1.071 178.555 177.584 -0.166 0.000 1.116 62 A CA -0.413 51.594 52.037 -0.050 0.000 1.001 62 A CB -0.168 18.910 19.000 0.129 0.000 1.112 62 A HN 0.576 nan 8.150 nan 0.000 0.556 63 T N -3.176 111.266 114.554 -0.186 0.000 3.040 63 T HA 0.249 4.606 4.350 0.013 0.000 0.250 63 T C 0.699 175.235 174.700 -0.273 0.000 1.058 63 T CA 0.812 62.773 62.100 -0.232 0.000 0.988 63 T CB -0.220 68.547 68.868 -0.168 0.000 0.993 63 T HN 0.708 nan 8.240 nan 0.000 0.519 64 T N -0.624 113.766 114.554 -0.273 0.000 2.900 64 T HA 0.684 5.042 4.350 0.013 0.000 0.303 64 T C -0.721 173.807 174.700 -0.287 0.000 1.142 64 T CA -0.923 61.013 62.100 -0.273 0.000 1.007 64 T CB 1.017 69.795 68.868 -0.150 0.000 1.156 64 T HN 0.000 nan 8.240 nan 0.000 0.490 65 F N 1.853 121.729 119.950 -0.123 0.000 2.589 65 F HA 0.315 4.850 4.527 0.013 0.000 0.352 65 F C 1.473 177.166 175.800 -0.178 0.000 1.168 65 F CA 0.043 57.969 58.000 -0.122 0.000 1.353 65 F CB 0.447 39.403 39.000 -0.073 0.000 1.116 65 F HN 0.486 nan 8.300 nan 0.000 0.608 66 Q N 0.894 120.697 119.800 0.005 0.000 2.199 66 Q HA 0.242 4.589 4.340 0.013 0.000 0.205 66 Q C -0.355 175.561 176.000 -0.141 0.000 1.001 66 Q CA -0.886 54.767 55.803 -0.250 0.000 1.019 66 Q CB 0.670 28.994 28.738 -0.690 0.000 1.132 66 Q HN 0.503 nan 8.270 nan 0.000 0.530 67 N N -0.132 118.450 118.700 -0.197 0.000 2.292 67 N HA -0.029 4.718 4.740 0.013 0.000 0.242 67 N C -0.561 174.926 175.510 -0.038 0.000 1.243 67 N CA 0.232 53.225 53.050 -0.095 0.000 0.851 67 N CB 0.273 38.724 38.487 -0.060 0.000 1.093 67 N HN 0.174 nan 8.380 nan 0.000 0.450 68 V N 2.011 121.876 119.914 -0.082 0.000 2.546 68 V HA 0.097 4.225 4.120 0.013 0.000 0.284 68 V C 0.633 176.669 176.094 -0.097 0.000 1.050 68 V CA -0.847 61.391 62.300 -0.103 0.000 0.981 68 V CB 1.109 32.829 31.823 -0.170 0.000 0.990 68 V HN 0.719 nan 8.190 nan 0.000 0.474 69 c N 4.199 122.764 118.600 -0.059 0.000 2.657 69 c HA 0.100 4.678 4.570 0.013 0.000 0.420 69 c C 0.493 174.537 174.090 -0.077 0.000 1.323 69 c CA -0.559 55.748 56.329 -0.037 0.000 1.894 69 c CB -0.970 41.559 42.510 0.031 0.000 2.681 69 c HN 0.757 nan 8.230 nan 0.000 0.613 70 Y N 3.792 123.960 120.300 -0.220 0.000 2.721 70 Y HA 0.261 4.819 4.550 0.013 0.000 0.329 70 Y C 0.803 176.729 175.900 0.043 0.000 1.211 70 Y CA 1.024 58.982 58.100 -0.236 0.000 1.512 70 Y CB 0.140 38.212 38.460 -0.647 0.000 1.249 70 Y HN 0.770 nan 8.280 nan 0.000 0.549 71 Q N 3.758 123.614 119.800 0.093 0.000 2.687 71 Q HA 0.213 4.561 4.340 0.013 0.000 0.295 71 Q C -1.858 174.288 176.000 0.243 0.000 0.920 71 Q CA -1.210 54.761 55.803 0.280 0.000 0.766 71 Q CB 1.245 30.075 28.738 0.153 0.000 1.467 71 Q HN 0.670 nan 8.270 nan 0.000 0.415 72 Y N 1.152 121.580 120.300 0.213 0.000 2.526 72 Y HA 0.348 4.906 4.550 0.013 0.000 0.330 72 Y C -0.840 175.103 175.900 0.072 0.000 1.156 72 Y CA 0.035 58.217 58.100 0.138 0.000 1.419 72 Y CB 0.887 39.422 38.460 0.125 0.000 1.250 72 Y HN 0.416 nan 8.280 nan 0.000 0.540 73 V N 7.036 126.618 119.914 -0.553 0.000 2.370 73 V HA 0.073 4.201 4.120 0.013 0.000 0.279 73 V C 0.055 175.676 176.094 -0.788 0.000 1.029 73 V CA -1.081 60.925 62.300 -0.489 0.000 0.870 73 V CB 1.246 32.898 31.823 -0.285 0.000 0.984 73 V HN 0.784 nan 8.190 nan 0.000 0.451 74 D N 3.438 123.605 120.400 -0.388 0.000 2.443 74 D HA 0.083 4.731 4.640 0.013 0.000 0.239 74 D C 0.685 176.953 176.300 -0.053 0.000 1.136 74 D CA 0.533 54.452 54.000 -0.135 0.000 0.879 74 D CB 1.663 42.570 40.800 0.179 0.000 1.195 74 D HN 0.766 nan 8.370 nan 0.000 0.443 75 T N 1.065 115.640 114.554 0.035 0.000 3.087 75 T HA -0.001 4.357 4.350 0.013 0.000 0.283 75 T C 1.620 176.331 174.700 0.018 0.000 0.956 75 T CA -0.430 61.683 62.100 0.021 0.000 0.894 75 T CB 0.166 69.028 68.868 -0.009 0.000 1.160 75 T HN 0.218 nan 8.240 nan 0.000 0.532 76 L N 1.049 122.285 121.223 0.021 0.000 1.989 76 L HA 0.147 4.495 4.340 0.013 0.000 0.211 76 L C -0.179 176.388 176.870 -0.505 0.000 1.071 76 L CA 1.681 56.337 54.840 -0.307 0.000 0.749 76 L CB -0.424 41.317 42.059 -0.529 0.000 0.890 76 L HN 0.396 nan 8.230 nan 0.000 0.431 77 Y N -0.308 120.049 120.300 0.096 0.000 2.863 77 Y HA 0.422 4.980 4.550 0.013 0.000 0.348 77 Y C -2.221 173.739 175.900 0.100 0.000 1.028 77 Y CA -3.626 54.502 58.100 0.047 0.000 1.213 77 Y CB -0.237 38.198 38.460 -0.041 0.000 1.120 77 Y HN 0.088 nan 8.280 nan 0.000 0.598 78 P HA 0.229 nan 4.420 nan 0.000 0.271 78 P C 1.020 178.379 177.300 0.099 0.000 1.233 78 P CA 0.927 64.088 63.100 0.102 0.000 0.764 78 P CB 0.985 32.714 31.700 0.048 0.000 0.825 79 G N 2.859 111.706 108.800 0.079 0.000 2.232 79 G HA2 -0.258 3.709 3.960 0.013 0.000 0.226 79 G HA3 -0.258 3.709 3.960 0.013 0.000 0.226 79 G C -0.117 174.814 174.900 0.052 0.000 0.996 79 G CA -0.536 44.588 45.100 0.041 0.000 0.626 79 G HN 0.520 nan 8.290 nan 0.000 0.509 80 F N 2.673 122.581 119.950 -0.069 0.000 2.467 80 F HA 0.581 5.115 4.527 0.013 0.000 0.362 80 F C 1.426 177.119 175.800 -0.178 0.000 1.090 80 F CA -0.207 57.697 58.000 -0.160 0.000 1.202 80 F CB 1.384 40.266 39.000 -0.196 0.000 1.113 80 F HN 0.239 nan 8.300 nan 0.000 0.541 81 E N 3.996 123.714 120.200 -0.804 0.000 2.110 81 E HA -0.079 4.278 4.350 0.013 0.000 0.193 81 E C 2.144 178.217 176.600 -0.878 0.000 0.988 81 E CA 1.769 57.744 56.400 -0.708 0.000 0.804 81 E CB -0.494 28.878 29.700 -0.546 0.000 0.745 81 E HN 0.910 nan 8.360 nan 0.000 0.458 82 G N -0.539 107.199 108.800 -1.770 0.000 2.450 82 G HA2 -0.307 3.661 3.960 0.013 0.000 0.220 82 G HA3 -0.307 3.661 3.960 0.013 0.000 0.220 82 G C 1.719 176.614 174.900 -0.008 0.000 1.130 82 G CA 1.608 46.033 45.100 -1.124 0.000 0.760 82 G HN 0.496 nan 8.290 nan 0.000 0.557 83 T N -1.754 112.805 114.554 0.009 0.000 2.953 83 T HA 0.105 4.463 4.350 0.013 0.000 0.247 83 T C 1.950 176.815 174.700 0.275 0.000 1.029 83 T CA 0.909 63.323 62.100 0.523 0.000 1.144 83 T CB -0.060 69.196 68.868 0.647 0.000 0.870 83 T HN 0.130 nan 8.240 nan 0.000 0.446 84 E N 2.332 122.550 120.200 0.029 0.000 2.160 84 E HA -0.140 4.217 4.350 0.013 0.000 0.195 84 E C 2.280 178.791 176.600 -0.149 0.000 0.991 84 E CA 1.491 57.862 56.400 -0.049 0.000 0.810 84 E CB -0.569 29.070 29.700 -0.101 0.000 0.742 84 E HN 0.806 nan 8.360 nan 0.000 0.466 85 M N -2.021 117.405 119.600 -0.291 0.000 2.346 85 M HA -0.123 4.365 4.480 0.013 0.000 0.263 85 M C 1.381 177.327 176.300 -0.590 0.000 1.064 85 M CA 1.592 56.582 55.300 -0.516 0.000 1.083 85 M CB -0.643 31.534 32.600 -0.705 0.000 1.399 85 M HN 0.018 nan 8.290 nan 0.000 0.435 86 W N 0.947 122.177 121.300 -0.117 0.000 3.211 86 W HA 0.273 4.941 4.660 0.012 0.000 0.292 86 W C 0.446 176.867 176.519 -0.164 0.000 1.268 86 W CA -0.937 56.320 57.345 -0.147 0.000 1.702 86 W CB -0.168 29.257 29.460 -0.058 0.000 1.092 86 W HN 0.123 nan 8.180 nan 0.000 0.643 87 N N 1.336 120.049 118.700 0.022 0.000 2.483 87 N HA 0.167 4.915 4.740 0.013 0.000 0.269 87 N C -2.408 173.026 175.510 -0.127 0.000 1.209 87 N CA -1.662 51.361 53.050 -0.045 0.000 0.969 87 N CB -0.068 38.391 38.487 -0.047 0.000 1.173 87 N HN -0.347 nan 8.380 nan 0.000 0.475 88 P HA 0.042 nan 4.420 nan 0.000 0.264 88 P C 0.154 177.350 177.300 -0.173 0.000 1.183 88 P CA 0.160 63.151 63.100 -0.181 0.000 0.763 88 P CB 0.313 31.899 31.700 -0.189 0.000 0.807 89 N N 1.757 120.344 118.700 -0.189 0.000 2.197 89 N HA 0.093 4.841 4.740 0.013 0.000 0.228 89 N C 0.054 175.480 175.510 -0.140 0.000 1.212 89 N CA -0.079 52.871 53.050 -0.168 0.000 0.883 89 N CB 0.480 38.850 38.487 -0.196 0.000 1.107 89 N HN 0.134 nan 8.380 nan 0.000 0.519 90 R N 0.279 120.695 120.500 -0.140 0.000 2.855 90 R HA 0.273 4.621 4.340 0.013 0.000 0.266 90 R C -0.598 175.628 176.300 -0.124 0.000 1.034 90 R CA -0.683 55.352 56.100 -0.109 0.000 0.944 90 R CB 1.138 31.387 30.300 -0.085 0.000 1.219 90 R HN 0.327 nan 8.270 nan 0.000 0.474 91 E N 1.529 121.664 120.200 -0.109 0.000 2.481 91 E HA -0.024 4.334 4.350 0.013 0.000 0.263 91 E C -0.553 175.957 176.600 -0.149 0.000 0.992 91 E CA 0.016 56.346 56.400 -0.116 0.000 0.938 91 E CB 0.516 30.164 29.700 -0.087 0.000 0.933 91 E HN 0.287 nan 8.360 nan 0.000 0.453 92 L N 3.629 124.724 121.223 -0.214 0.000 2.331 92 L HA 0.257 4.605 4.340 0.013 0.000 0.278 92 L C 0.298 177.061 176.870 -0.178 0.000 1.106 92 L CA -0.009 54.626 54.840 -0.342 0.000 0.824 92 L CB 1.158 42.761 42.059 -0.760 0.000 1.142 92 L HN 0.443 nan 8.230 nan 0.000 0.443 93 S N 1.005 116.661 115.700 -0.074 0.000 2.547 93 S HA 0.220 4.697 4.470 0.013 0.000 0.270 93 S C 0.283 174.888 174.600 0.008 0.000 1.150 93 S CA -0.664 57.571 58.200 0.058 0.000 0.850 93 S CB 1.584 64.791 63.200 0.012 0.000 1.118 93 S HN 0.741 nan 8.310 nan 0.000 0.461 94 E N 0.875 121.044 120.200 -0.052 0.000 2.274 94 E HA -0.064 4.294 4.350 0.013 0.000 0.194 94 E C -0.304 176.245 176.600 -0.085 0.000 0.996 94 E CA 0.425 56.724 56.400 -0.168 0.000 0.840 94 E CB 0.064 29.616 29.700 -0.247 0.000 0.772 94 E HN 0.523 nan 8.360 nan 0.000 0.491 95 D N 0.623 121.006 120.400 -0.028 0.000 2.455 95 D HA -0.021 4.627 4.640 0.013 0.000 0.234 95 D C 0.093 176.487 176.300 0.156 0.000 1.224 95 D CA -0.135 53.883 54.000 0.030 0.000 0.999 95 D CB -0.065 40.770 40.800 0.059 0.000 1.072 95 D HN 0.167 nan 8.370 nan 0.000 0.514 96 c N 2.389 121.048 118.600 0.098 0.000 3.865 96 c HA 0.359 4.937 4.570 0.013 0.000 0.297 96 c C 0.596 174.771 174.090 0.142 0.000 1.758 96 c CA -0.648 55.804 56.329 0.206 0.000 1.778 96 c CB -1.176 41.381 42.510 0.079 0.000 3.158 96 c HN 0.416 nan 8.230 nan 0.000 0.598 97 L N 2.575 123.610 121.223 -0.315 0.000 2.399 97 L HA 0.426 4.774 4.340 0.013 0.000 0.257 97 L C -0.958 175.323 176.870 -0.982 0.000 1.236 97 L CA 0.388 54.839 54.840 -0.649 0.000 1.144 97 L CB -0.577 40.973 42.059 -0.848 0.000 1.379 97 L HN 0.402 nan 8.230 nan 0.000 0.414 98 Y N 1.695 121.971 120.300 -0.040 0.000 2.576 98 Y HA 0.648 5.205 4.550 0.013 0.000 0.346 98 Y C -0.108 176.007 175.900 0.359 0.000 1.018 98 Y CA -1.247 56.922 58.100 0.114 0.000 1.050 98 Y CB 2.031 40.502 38.460 0.017 0.000 1.280 98 Y HN 0.180 nan 8.280 nan 0.000 0.474 99 L N -0.211 121.216 121.223 0.340 0.000 2.327 99 L HA 0.773 5.121 4.340 0.013 0.000 0.258 99 L C -1.373 175.494 176.870 -0.005 0.000 1.024 99 L CA -1.203 53.696 54.840 0.098 0.000 0.825 99 L CB 1.833 43.755 42.059 -0.229 0.000 1.386 99 L HN 0.490 nan 8.230 nan 0.000 0.417 100 N N 0.228 118.925 118.700 -0.005 0.000 2.238 100 N HA 0.710 5.458 4.740 0.013 0.000 0.302 100 N C -1.529 173.888 175.510 -0.155 0.000 1.072 100 N CA -0.408 52.557 53.050 -0.141 0.000 0.792 100 N CB 2.888 41.303 38.487 -0.119 0.000 1.425 100 N HN 0.508 nan 8.380 nan 0.000 0.478 101 V N 1.643 121.390 119.914 -0.279 0.000 2.531 101 V HA 0.456 4.584 4.120 0.013 0.000 0.301 101 V C -0.786 175.228 176.094 -0.133 0.000 1.034 101 V CA -0.767 61.453 62.300 -0.134 0.000 0.865 101 V CB 2.170 33.776 31.823 -0.362 0.000 0.995 101 V HN 0.549 nan 8.190 nan 0.000 0.424 102 W N 3.032 124.412 121.300 0.134 0.000 2.573 102 W HA 0.680 5.349 4.660 0.014 0.000 0.326 102 W C 0.197 176.813 176.519 0.162 0.000 1.049 102 W CA -0.405 57.026 57.345 0.143 0.000 1.220 102 W CB 2.409 31.939 29.460 0.116 0.000 1.373 102 W HN 0.655 nan 8.180 nan 0.000 0.507 103 T N 0.286 115.079 114.554 0.398 0.000 2.883 103 T HA 0.532 4.890 4.350 0.013 0.000 0.296 103 T C -2.787 172.084 174.700 0.284 0.000 1.117 103 T CA -2.419 59.874 62.100 0.321 0.000 1.006 103 T CB 2.232 71.304 68.868 0.341 0.000 1.191 103 T HN -0.091 nan 8.240 nan 0.000 0.508 104 P HA 0.152 nan 4.420 nan 0.000 0.270 104 P C -1.542 175.906 177.300 0.247 0.000 1.221 104 P CA -0.018 63.200 63.100 0.197 0.000 0.788 104 P CB 0.059 31.844 31.700 0.142 0.000 0.904 105 Y N 2.019 122.373 120.300 0.091 0.000 2.346 105 Y HA 0.425 4.983 4.550 0.013 0.000 0.332 105 Y C -2.258 173.677 175.900 0.058 0.000 0.985 105 Y CA -2.478 55.670 58.100 0.079 0.000 1.112 105 Y CB 1.249 39.744 38.460 0.058 0.000 1.170 105 Y HN 0.320 nan 8.280 nan 0.000 0.447 106 P HA 0.212 nan 4.420 nan 0.000 0.272 106 P C -0.851 176.404 177.300 -0.075 0.000 1.240 106 P CA -0.328 62.555 63.100 -0.363 0.000 0.791 106 P CB 1.053 32.577 31.700 -0.294 0.000 0.978 107 R N 1.238 121.718 120.500 -0.033 0.000 2.697 107 R HA 0.097 4.445 4.340 0.013 0.000 0.265 107 R C -1.665 174.663 176.300 0.046 0.000 1.009 107 R CA -0.861 55.281 56.100 0.070 0.000 1.099 107 R CB -0.848 29.511 30.300 0.097 0.000 0.965 107 R HN 0.468 nan 8.270 nan 0.000 0.428 108 P HA -0.073 nan 4.420 nan 0.000 0.267 108 P C -0.076 177.242 177.300 0.030 0.000 1.200 108 P CA 0.229 63.361 63.100 0.053 0.000 0.772 108 P CB 0.657 32.398 31.700 0.067 0.000 0.855 109 A N 2.916 125.747 122.820 0.020 0.000 1.877 109 A HA -0.051 4.276 4.320 0.013 0.000 0.216 109 A C 1.109 178.698 177.584 0.007 0.000 1.186 109 A CA 1.854 53.896 52.037 0.008 0.000 0.620 109 A CB -0.941 18.063 19.000 0.006 0.000 0.822 109 A HN 0.714 nan 8.150 nan 0.000 0.443 110 S N -1.453 114.254 115.700 0.011 0.000 2.600 110 S HA 0.640 5.118 4.470 0.013 0.000 0.300 110 S C -3.228 171.380 174.600 0.013 0.000 1.087 110 S CA -1.901 56.303 58.200 0.007 0.000 0.965 110 S CB 1.311 64.513 63.200 0.003 0.000 1.089 110 S HN 0.018 nan 8.310 nan 0.000 0.496 111 P HA 0.220 nan 4.420 nan 0.000 0.263 111 P C -0.754 176.554 177.300 0.014 0.000 1.195 111 P CA 0.259 63.367 63.100 0.013 0.000 0.762 111 P CB 0.139 31.838 31.700 -0.001 0.000 0.799 112 T N 5.685 120.259 114.554 0.032 0.000 2.779 112 T HA 0.373 4.731 4.350 0.013 0.000 0.280 112 T C -2.454 172.267 174.700 0.035 0.000 0.987 112 T CA -1.848 60.274 62.100 0.036 0.000 0.966 112 T CB 0.850 69.755 68.868 0.061 0.000 0.933 112 T HN 0.141 nan 8.240 nan 0.000 0.442 113 P HA 0.022 nan 4.420 nan 0.000 0.261 113 P C -0.808 176.520 177.300 0.047 0.000 1.165 113 P CA 0.052 63.156 63.100 0.005 0.000 0.759 113 P CB 0.288 31.977 31.700 -0.019 0.000 0.772 114 V N 5.938 125.894 119.914 0.070 0.000 2.394 114 V HA 0.284 4.411 4.120 0.013 0.000 0.282 114 V C 0.437 176.617 176.094 0.144 0.000 1.031 114 V CA -0.435 61.939 62.300 0.123 0.000 0.881 114 V CB 1.189 33.100 31.823 0.147 0.000 0.982 114 V HN 0.373 nan 8.190 nan 0.000 0.451 115 L N 6.059 127.385 121.223 0.172 0.000 2.296 115 L HA 0.588 4.936 4.340 0.013 0.000 0.286 115 L C -0.581 176.554 176.870 0.441 0.000 1.023 115 L CA -0.286 54.682 54.840 0.214 0.000 0.812 115 L CB 1.529 43.606 42.059 0.031 0.000 1.223 115 L HN 0.515 nan 8.230 nan 0.000 0.421 116 I N 3.333 124.211 120.570 0.514 0.000 2.354 116 I HA 0.193 4.371 4.170 0.013 0.000 0.286 116 I C -0.579 175.836 176.117 0.497 0.000 1.007 116 I CA -0.441 61.129 61.300 0.449 0.000 1.167 116 I CB 1.225 39.366 38.000 0.235 0.000 1.320 116 I HN 0.632 nan 8.210 nan 0.000 0.458 117 W N 8.549 129.949 121.300 0.167 0.000 2.316 117 W HA 0.546 5.213 4.660 0.012 0.000 0.311 117 W C -1.449 174.970 176.519 -0.166 0.000 1.217 117 W CA -0.554 56.636 57.345 -0.259 0.000 1.199 117 W CB 1.129 30.450 29.460 -0.230 0.000 1.202 117 W HN 0.358 nan 8.180 nan 0.000 0.528 118 I N 9.096 129.007 120.570 -1.099 0.000 2.420 118 I HA 0.070 4.248 4.170 0.013 0.000 0.282 118 I C -0.297 175.025 176.117 -1.325 0.000 1.019 118 I CA -1.153 59.591 61.300 -0.926 0.000 1.130 118 I CB 0.644 38.293 38.000 -0.585 0.000 1.262 118 I HN 0.307 nan 8.210 nan 0.000 0.454 119 Y N 4.398 124.231 120.300 -0.780 0.000 2.550 119 Y HA 0.578 5.136 4.550 0.013 0.000 0.343 119 Y C 0.851 176.579 175.900 -0.285 0.000 1.245 119 Y CA -0.688 57.089 58.100 -0.539 0.000 1.462 119 Y CB -0.104 38.267 38.460 -0.148 0.000 1.340 119 Y HN 0.555 nan 8.280 nan 0.000 0.604 120 G N -0.411 108.401 108.800 0.019 0.000 2.525 120 G HA2 0.471 4.439 3.960 0.013 0.000 0.287 120 G HA3 0.471 4.439 3.960 0.013 0.000 0.287 120 G C 0.370 175.206 174.900 -0.106 0.000 1.350 120 G CA -0.832 44.199 45.100 -0.115 0.000 1.039 120 G HN 1.770 nan 8.290 nan 0.000 0.513 121 G N -2.912 105.659 108.800 -0.382 0.000 2.223 121 G HA2 0.407 4.375 3.960 0.013 0.000 0.200 121 G HA3 0.407 4.375 3.960 0.013 0.000 0.200 121 G C 1.020 175.405 174.900 -0.859 0.000 1.061 121 G CA 0.678 45.430 45.100 -0.581 0.000 0.790 121 G HN 2.330 nan 8.290 nan 0.000 0.498 122 G N -0.439 107.831 108.800 -0.884 0.000 2.187 122 G HA2 -0.141 3.827 3.960 0.013 0.000 0.261 122 G HA3 -0.141 3.827 3.960 0.013 0.000 0.261 122 G C 0.927 175.575 174.900 -0.420 0.000 1.000 122 G CA 0.777 45.117 45.100 -1.267 0.000 0.718 122 G HN 1.787 nan 8.290 nan 0.000 0.519 123 F N -3.261 116.595 119.950 -0.156 0.000 2.935 123 F HA -0.328 4.207 4.527 0.013 0.000 0.317 123 F C 1.454 177.431 175.800 0.295 0.000 0.699 123 F CA 2.218 60.278 58.000 0.100 0.000 1.127 123 F CB -2.108 36.807 39.000 -0.142 0.000 1.491 123 F HN 0.912 nan 8.300 nan 0.000 0.337 124 Y N -1.219 119.236 120.300 0.258 0.000 2.453 124 Y HA 0.645 5.203 4.550 0.013 0.000 0.247 124 Y C 0.576 176.599 175.900 0.205 0.000 1.124 124 Y CA 0.221 58.510 58.100 0.316 0.000 1.243 124 Y CB 0.029 38.693 38.460 0.341 0.000 1.213 124 Y HN 0.087 nan 8.280 nan 0.000 0.523 125 S N -0.724 114.730 115.700 -0.410 0.000 2.672 125 S HA 0.893 5.371 4.470 0.013 0.000 0.271 125 S C -0.230 174.197 174.600 -0.288 0.000 1.171 125 S CA -0.488 57.497 58.200 -0.359 0.000 0.817 125 S CB 1.514 64.363 63.200 -0.585 0.000 1.150 125 S HN 1.346 nan 8.310 nan 0.000 0.478 126 G N -0.721 107.866 108.800 -0.354 0.000 2.406 126 G HA2 0.561 4.529 3.960 0.013 0.000 0.680 126 G HA3 0.561 4.529 3.960 0.013 0.000 0.680 126 G C -0.749 173.498 174.900 -1.088 0.000 1.338 126 G CA -0.155 44.547 45.100 -0.664 0.000 0.941 126 G HN 2.168 nan 8.290 nan 0.000 0.633 127 A N -0.909 121.182 122.820 -1.217 0.000 2.594 127 A HA 0.999 5.327 4.320 0.013 0.000 0.296 127 A C 0.530 177.903 177.584 -0.352 0.000 1.061 127 A CA 0.503 52.064 52.037 -0.793 0.000 0.689 127 A CB 1.025 19.785 19.000 -0.399 0.000 1.280 127 A HN 2.574 nan 8.150 nan 0.000 0.406 128 A N 0.434 123.259 122.820 0.008 0.000 2.238 128 A HA 0.315 4.643 4.320 0.013 0.000 0.208 128 A C 1.532 179.158 177.584 0.068 0.000 1.177 128 A CA 1.569 53.792 52.037 0.309 0.000 0.804 128 A CB -0.508 18.755 19.000 0.438 0.000 0.823 128 A HN 1.801 nan 8.150 nan 0.000 0.482 129 S N -0.733 114.761 115.700 -0.342 0.000 2.540 129 S HA 0.373 4.850 4.470 0.013 0.000 0.218 129 S C 0.360 174.507 174.600 -0.755 0.000 0.977 129 S CA -0.477 57.044 58.200 -1.133 0.000 0.918 129 S CB -0.518 62.012 63.200 -1.118 0.000 0.806 129 S HN 0.341 nan 8.310 nan 0.000 0.496 130 L N 2.123 123.076 121.223 -0.450 0.000 2.461 130 L HA 0.217 4.564 4.340 0.013 0.000 0.272 130 L C 1.172 177.717 176.870 -0.541 0.000 1.197 130 L CA -0.468 54.063 54.840 -0.516 0.000 0.836 130 L CB 0.232 41.889 42.059 -0.671 0.000 1.105 130 L HN 0.059 nan 8.230 nan 0.000 0.477 131 D N 1.001 121.117 120.400 -0.473 0.000 2.149 131 D HA -0.147 4.501 4.640 0.013 0.000 0.198 131 D C 1.930 177.959 176.300 -0.452 0.000 0.990 131 D CA 1.264 55.046 54.000 -0.363 0.000 0.839 131 D CB 0.022 40.644 40.800 -0.297 0.000 0.948 131 D HN 0.507 nan 8.370 nan 0.000 0.460 132 V N -1.691 117.800 119.914 -0.704 0.000 3.305 132 V HA -0.110 4.018 4.120 0.013 0.000 0.269 132 V C 0.888 176.419 176.094 -0.939 0.000 1.157 132 V CA 0.941 62.787 62.300 -0.757 0.000 1.157 132 V CB -1.038 30.254 31.823 -0.886 0.000 0.772 132 V HN 0.074 nan 8.190 nan 0.000 0.498 133 Y N -0.030 119.725 120.300 -0.909 0.000 2.555 133 Y HA 0.444 5.001 4.550 0.013 0.000 0.259 133 Y C 0.856 176.156 175.900 -0.999 0.000 1.179 133 Y CA -1.914 55.267 58.100 -1.531 0.000 1.230 133 Y CB -0.533 37.365 38.460 -0.937 0.000 1.146 133 Y HN 0.244 nan 8.280 nan 0.000 0.526 134 D N 0.827 120.949 120.400 -0.464 0.000 2.389 134 D HA 0.023 4.671 4.640 0.013 0.000 0.263 134 D C 1.440 177.437 176.300 -0.505 0.000 1.255 134 D CA 0.500 54.276 54.000 -0.373 0.000 0.914 134 D CB 1.262 41.992 40.800 -0.117 0.000 1.116 134 D HN 0.469 nan 8.370 nan 0.000 0.502 135 G N 4.017 111.950 108.800 -1.446 0.000 2.776 135 G HA2 -0.198 3.770 3.960 0.013 0.000 0.209 135 G HA3 -0.198 3.770 3.960 0.013 0.000 0.209 135 G C 1.493 175.854 174.900 -0.898 0.000 1.145 135 G CA 0.386 44.796 45.100 -1.149 0.000 0.791 135 G HN 0.630 nan 8.290 nan 0.000 0.530 136 R N -0.688 119.237 120.500 -0.958 0.000 2.115 136 R HA 0.023 4.371 4.340 0.013 0.000 0.230 136 R C 1.689 177.708 176.300 -0.468 0.000 1.111 136 R CA 1.240 56.974 56.100 -0.611 0.000 0.976 136 R CB -0.611 29.331 30.300 -0.598 0.000 0.870 136 R HN 0.333 nan 8.270 nan 0.000 0.445 137 F N 1.277 121.142 119.950 -0.142 0.000 2.187 137 F HA 0.098 4.633 4.527 0.014 0.000 0.295 137 F C 2.212 177.957 175.800 -0.091 0.000 1.091 137 F CA 0.554 58.493 58.000 -0.101 0.000 1.308 137 F CB -0.471 38.458 39.000 -0.118 0.000 1.030 137 F HN -0.135 nan 8.300 nan 0.000 0.487 138 L N 0.117 121.374 121.223 0.056 0.000 2.017 138 L HA -0.211 4.137 4.340 0.013 0.000 0.208 138 L C 2.809 179.692 176.870 0.022 0.000 1.073 138 L CA 1.240 56.077 54.840 -0.006 0.000 0.745 138 L CB -1.023 40.992 42.059 -0.073 0.000 0.894 138 L HN 0.186 nan 8.230 nan 0.000 0.432 139 A N -0.800 122.040 122.820 0.033 0.000 1.859 139 A HA -0.298 4.030 4.320 0.013 0.000 0.217 139 A C 2.290 179.919 177.584 0.074 0.000 1.198 139 A CA 2.012 54.103 52.037 0.090 0.000 0.629 139 A CB -0.693 18.401 19.000 0.156 0.000 0.830 139 A HN 0.433 nan 8.150 nan 0.000 0.446 140 Q N -0.357 119.469 119.800 0.043 0.000 2.046 140 Q HA -0.087 4.260 4.340 0.013 0.000 0.200 140 Q C 2.234 178.264 176.000 0.051 0.000 0.975 140 Q CA 2.062 57.894 55.803 0.048 0.000 0.836 140 Q CB -0.278 28.471 28.738 0.019 0.000 0.896 140 Q HN 0.442 nan 8.270 nan 0.000 0.428 141 V N 1.042 120.987 119.914 0.050 0.000 2.379 141 V HA -0.104 4.024 4.120 0.013 0.000 0.243 141 V C 1.877 177.987 176.094 0.026 0.000 1.035 141 V CA 1.453 63.776 62.300 0.039 0.000 1.035 141 V CB -0.248 31.598 31.823 0.039 0.000 0.673 141 V HN 0.206 nan 8.190 nan 0.000 0.457 142 E N 0.072 120.285 120.200 0.022 0.000 2.489 142 E HA 0.149 4.507 4.350 0.013 0.000 0.193 142 E C 1.768 178.385 176.600 0.029 0.000 1.057 142 E CA 0.737 57.147 56.400 0.016 0.000 0.866 142 E CB 0.187 29.888 29.700 0.001 0.000 0.916 142 E HN 0.633 nan 8.360 nan 0.000 0.500 143 G N 1.395 110.223 108.800 0.045 0.000 2.153 143 G HA2 -0.315 3.652 3.960 0.013 0.000 0.252 143 G HA3 -0.315 3.652 3.960 0.013 0.000 0.252 143 G C 0.491 175.434 174.900 0.071 0.000 0.994 143 G CA 0.406 45.542 45.100 0.060 0.000 0.698 143 G HN 0.494 nan 8.290 nan 0.000 0.521 144 A N -0.671 122.192 122.820 0.071 0.000 2.340 144 A HA 0.710 5.038 4.320 0.013 0.000 0.268 144 A C 0.514 178.178 177.584 0.132 0.000 1.100 144 A CA 0.060 52.145 52.037 0.080 0.000 0.803 144 A CB 1.185 20.216 19.000 0.052 0.000 1.043 144 A HN 1.107 nan 8.150 nan 0.000 0.488 145 V N 3.089 123.087 119.914 0.141 0.000 2.406 145 V HA 0.369 4.497 4.120 0.013 0.000 0.272 145 V C -0.049 176.177 176.094 0.220 0.000 1.043 145 V CA -0.070 62.343 62.300 0.188 0.000 0.915 145 V CB 0.759 32.683 31.823 0.168 0.000 0.988 145 V HN 0.725 nan 8.190 nan 0.000 0.466 146 L N 6.208 127.615 121.223 0.307 0.000 2.362 146 L HA 0.769 5.116 4.340 0.013 0.000 0.275 146 L C -1.000 176.153 176.870 0.470 0.000 0.998 146 L CA -0.338 54.740 54.840 0.397 0.000 0.820 146 L CB 1.953 44.252 42.059 0.400 0.000 1.270 146 L HN 0.440 nan 8.230 nan 0.000 0.415 147 V N 2.923 123.094 119.914 0.430 0.000 2.656 147 V HA 0.721 4.848 4.120 0.013 0.000 0.307 147 V C -0.535 175.806 176.094 0.410 0.000 1.051 147 V CA -0.453 62.052 62.300 0.342 0.000 0.893 147 V CB 2.070 34.027 31.823 0.223 0.000 0.999 147 V HN 0.840 nan 8.190 nan 0.000 0.426 148 S N 4.933 120.865 115.700 0.387 0.000 2.540 148 S HA 0.860 5.338 4.470 0.013 0.000 0.275 148 S C -0.893 173.864 174.600 0.262 0.000 1.123 148 S CA -0.827 57.608 58.200 0.392 0.000 0.907 148 S CB 2.227 65.780 63.200 0.588 0.000 1.081 148 S HN 0.900 nan 8.310 nan 0.000 0.476 149 M N 1.466 121.185 119.600 0.198 0.000 2.535 149 M HA 0.632 5.120 4.480 0.013 0.000 0.314 149 M C -1.605 174.925 176.300 0.383 0.000 1.153 149 M CA -0.539 54.868 55.300 0.179 0.000 0.924 149 M CB 1.122 33.650 32.600 -0.121 0.000 1.710 149 M HN 0.547 nan 8.290 nan 0.000 0.451 150 N N 3.275 122.262 118.700 0.478 0.000 2.520 150 N HA 0.449 5.197 4.740 0.013 0.000 0.273 150 N C -1.319 174.499 175.510 0.513 0.000 1.155 150 N CA 0.188 53.540 53.050 0.502 0.000 0.967 150 N CB 0.252 38.957 38.487 0.364 0.000 1.092 150 N HN 0.696 nan 8.380 nan 0.000 0.457 151 Y N -1.393 119.104 120.300 0.329 0.000 2.536 151 Y HA 0.594 5.152 4.550 0.013 0.000 0.347 151 Y C 0.187 176.239 175.900 0.253 0.000 1.000 151 Y CA -1.373 56.867 58.100 0.233 0.000 1.051 151 Y CB 0.917 39.444 38.460 0.111 0.000 1.259 151 Y HN 0.201 nan 8.280 nan 0.000 0.468 152 R N 1.513 122.187 120.500 0.291 0.000 2.643 152 R HA 0.504 4.852 4.340 0.013 0.000 0.270 152 R C -0.508 175.975 176.300 0.304 0.000 1.061 152 R CA -0.125 56.099 56.100 0.208 0.000 1.107 152 R CB 0.903 31.283 30.300 0.134 0.000 0.999 152 R HN 0.742 nan 8.270 nan 0.000 0.460 153 V N -0.872 119.261 119.914 0.366 0.000 3.141 153 V HA 0.900 5.028 4.120 0.013 0.000 0.312 153 V C 0.497 176.953 176.094 0.604 0.000 1.157 153 V CA -0.105 62.528 62.300 0.555 0.000 1.041 153 V CB 1.302 33.357 31.823 0.387 0.000 1.071 153 V HN 0.992 nan 8.190 nan 0.000 0.441 154 G N 2.019 111.240 108.800 0.702 0.000 2.562 154 G HA2 -0.223 3.744 3.960 0.013 0.000 0.250 154 G HA3 -0.223 3.744 3.960 0.013 0.000 0.250 154 G C 0.957 176.037 174.900 0.299 0.000 1.269 154 G CA 1.065 46.505 45.100 0.567 0.000 0.919 154 G HN 2.416 nan 8.290 nan 0.000 0.574 155 T N -1.722 112.710 114.554 -0.204 0.000 2.759 155 T HA -0.073 4.285 4.350 0.013 0.000 0.269 155 T C 2.127 176.694 174.700 -0.222 0.000 1.042 155 T CA 2.602 64.326 62.100 -0.626 0.000 1.140 155 T CB -0.384 67.982 68.868 -0.837 0.000 0.864 155 T HN 0.628 nan 8.240 nan 0.000 0.455 156 F N 2.103 122.147 119.950 0.157 0.000 2.234 156 F HA 0.261 4.795 4.527 0.013 0.000 0.299 156 F C 2.702 178.540 175.800 0.063 0.000 1.087 156 F CA 0.688 58.748 58.000 0.101 0.000 1.340 156 F CB -0.871 38.155 39.000 0.043 0.000 1.031 156 F HN 0.380 nan 8.300 nan 0.000 0.500 157 G N -2.238 106.665 108.800 0.172 0.000 2.719 157 G HA2 0.051 4.019 3.960 0.013 0.000 0.211 157 G HA3 0.051 4.019 3.960 0.013 0.000 0.211 157 G C 0.942 175.424 174.900 -0.698 0.000 1.140 157 G CA 0.243 45.188 45.100 -0.259 0.000 0.790 157 G HN 0.332 nan 8.290 nan 0.000 0.529 158 F N -0.804 119.256 119.950 0.183 0.000 2.912 158 F HA 0.413 4.948 4.527 0.014 0.000 0.357 158 F C 0.601 176.491 175.800 0.150 0.000 1.003 158 F CA -1.030 57.058 58.000 0.147 0.000 1.132 158 F CB 0.235 39.340 39.000 0.176 0.000 1.055 158 F HN -0.104 nan 8.300 nan 0.000 0.572 159 L N 2.359 123.658 121.223 0.126 0.000 2.667 159 L HA 0.321 4.669 4.340 0.013 0.000 0.278 159 L C 0.001 176.844 176.870 -0.046 0.000 1.217 159 L CA 0.070 54.872 54.840 -0.064 0.000 0.935 159 L CB 0.085 41.797 42.059 -0.580 0.000 1.193 159 L HN 0.151 nan 8.230 nan 0.000 0.493 160 A N 6.441 129.286 122.820 0.041 0.000 2.371 160 A HA 0.679 5.007 4.320 0.013 0.000 0.311 160 A C -0.940 176.629 177.584 -0.024 0.000 1.068 160 A CA -0.623 51.416 52.037 0.004 0.000 0.744 160 A CB 1.249 20.282 19.000 0.055 0.000 1.239 160 A HN 0.707 nan 8.150 nan 0.000 0.435 161 L N 3.472 124.667 121.223 -0.047 0.000 2.426 161 L HA 0.310 4.658 4.340 0.013 0.000 0.255 161 L C -2.405 174.459 176.870 -0.011 0.000 1.080 161 L CA -1.754 53.066 54.840 -0.033 0.000 0.960 161 L CB 1.266 43.294 42.059 -0.051 0.000 1.326 161 L HN 0.407 nan 8.230 nan 0.000 0.441 162 P HA 0.049 nan 4.420 nan 0.000 0.261 162 P C 0.978 178.282 177.300 0.007 0.000 1.183 162 P CA 0.853 63.958 63.100 0.008 0.000 0.761 162 P CB 0.902 32.606 31.700 0.006 0.000 0.785 163 G N 1.997 110.805 108.800 0.013 0.000 2.254 163 G HA2 -0.232 3.736 3.960 0.013 0.000 0.225 163 G HA3 -0.232 3.736 3.960 0.013 0.000 0.225 163 G C 0.400 175.308 174.900 0.014 0.000 1.003 163 G CA 0.178 45.285 45.100 0.013 0.000 0.622 163 G HN 0.782 nan 8.290 nan 0.000 0.507 164 S N 0.132 115.839 115.700 0.011 0.000 2.593 164 S HA 0.599 5.077 4.470 0.013 0.000 0.269 164 S C 1.180 175.794 174.600 0.023 0.000 1.334 164 S CA 0.485 58.692 58.200 0.012 0.000 1.015 164 S CB 2.023 65.225 63.200 0.003 0.000 0.912 164 S HN 0.472 nan 8.310 nan 0.000 0.541 165 R N 0.306 120.822 120.500 0.027 0.000 2.127 165 R HA 0.035 4.383 4.340 0.013 0.000 0.217 165 R C 1.136 177.463 176.300 0.046 0.000 1.074 165 R CA 1.081 57.202 56.100 0.035 0.000 0.991 165 R CB -0.174 30.145 30.300 0.031 0.000 0.895 165 R HN 0.811 nan 8.270 nan 0.000 0.450 166 E N -0.699 119.529 120.200 0.047 0.000 2.442 166 E HA 0.119 4.476 4.350 0.013 0.000 0.195 166 E C -0.322 176.337 176.600 0.098 0.000 1.030 166 E CA 0.492 56.935 56.400 0.073 0.000 0.869 166 E CB 1.170 30.913 29.700 0.071 0.000 0.857 166 E HN 0.242 nan 8.360 nan 0.000 0.505 167 A N 0.958 123.810 122.820 0.053 0.000 3.124 167 A HA 0.270 4.598 4.320 0.013 0.000 0.295 167 A C -2.305 175.290 177.584 0.018 0.000 1.199 167 A CA -0.860 51.197 52.037 0.033 0.000 0.845 167 A CB 0.530 19.462 19.000 -0.113 0.000 1.381 167 A HN -0.082 nan 8.150 nan 0.000 0.537 168 P HA 0.234 nan 4.420 nan 0.000 0.235 168 P C 0.899 178.225 177.300 0.044 0.000 1.177 168 P CA 1.574 64.700 63.100 0.043 0.000 0.785 168 P CB 0.337 32.070 31.700 0.056 0.000 0.885 169 G N 0.735 109.561 108.800 0.044 0.000 2.707 169 G HA2 -0.171 3.797 3.960 0.013 0.000 0.686 169 G HA3 -0.171 3.797 3.960 0.013 0.000 0.686 169 G C -0.085 174.833 174.900 0.031 0.000 1.315 169 G CA -0.271 44.861 45.100 0.052 0.000 0.832 169 G HN 0.099 nan 8.290 nan 0.000 0.573 170 N N -2.537 116.192 118.700 0.048 0.000 2.815 170 N HA -0.287 4.461 4.740 0.013 0.000 0.247 170 N C 1.912 177.310 175.510 -0.187 0.000 1.030 170 N CA 2.581 55.600 53.050 -0.051 0.000 0.881 170 N CB -1.626 36.765 38.487 -0.161 0.000 1.134 170 N HN 1.933 nan 8.380 nan 0.000 0.582 171 V N -2.622 117.181 119.914 -0.185 0.000 2.759 171 V HA 0.044 4.172 4.120 0.013 0.000 0.256 171 V C 2.293 178.283 176.094 -0.173 0.000 1.080 171 V CA 2.251 64.484 62.300 -0.113 0.000 1.101 171 V CB -0.875 30.929 31.823 -0.033 0.000 0.698 171 V HN 0.272 nan 8.190 nan 0.000 0.477 172 G N 0.482 108.988 108.800 -0.490 0.000 2.432 172 G HA2 -0.144 3.824 3.960 0.013 0.000 0.219 172 G HA3 -0.144 3.824 3.960 0.013 0.000 0.219 172 G C 1.516 176.380 174.900 -0.059 0.000 1.135 172 G CA 1.154 46.055 45.100 -0.333 0.000 0.767 172 G HN 0.554 nan 8.290 nan 0.000 0.550 173 L N -0.308 120.838 121.223 -0.127 0.000 2.240 173 L HA 0.190 4.538 4.340 0.013 0.000 0.211 173 L C 2.705 179.634 176.870 0.097 0.000 1.106 173 L CA 0.122 54.870 54.840 -0.152 0.000 0.793 173 L CB -0.140 41.475 42.059 -0.739 0.000 0.927 173 L HN 0.168 nan 8.230 nan 0.000 0.446 174 L N -0.597 120.685 121.223 0.097 0.000 2.109 174 L HA -0.158 4.190 4.340 0.013 0.000 0.207 174 L C 2.123 179.129 176.870 0.226 0.000 1.086 174 L CA 0.754 55.730 54.840 0.228 0.000 0.760 174 L CB -0.510 41.654 42.059 0.174 0.000 0.910 174 L HN 0.266 nan 8.230 nan 0.000 0.437 175 D N 0.100 120.623 120.400 0.205 0.000 2.092 175 D HA -0.227 4.421 4.640 0.013 0.000 0.193 175 D C 2.224 178.711 176.300 0.312 0.000 0.994 175 D CA 1.271 55.473 54.000 0.337 0.000 0.828 175 D CB -0.280 40.726 40.800 0.343 0.000 0.963 175 D HN 0.380 nan 8.370 nan 0.000 0.450 176 Q N 0.085 119.989 119.800 0.174 0.000 2.061 176 Q HA -0.164 4.184 4.340 0.013 0.000 0.204 176 Q C 2.327 178.331 176.000 0.006 0.000 0.984 176 Q CA 1.268 57.094 55.803 0.037 0.000 0.846 176 Q CB -0.130 28.619 28.738 0.018 0.000 0.902 176 Q HN 0.229 nan 8.270 nan 0.000 0.421 177 R N 0.637 121.234 120.500 0.161 0.000 2.081 177 R HA -0.169 4.179 4.340 0.013 0.000 0.235 177 R C 2.257 178.622 176.300 0.109 0.000 1.131 177 R CA 1.000 57.176 56.100 0.126 0.000 0.960 177 R CB -0.268 30.213 30.300 0.301 0.000 0.856 177 R HN 0.234 nan 8.270 nan 0.000 0.436 178 L N 0.993 122.322 121.223 0.176 0.000 2.012 178 L HA -0.124 4.224 4.340 0.013 0.000 0.210 178 L C 2.334 179.286 176.870 0.137 0.000 1.073 178 L CA 2.262 57.236 54.840 0.224 0.000 0.748 178 L CB -0.685 41.591 42.059 0.362 0.000 0.891 178 L HN 0.285 nan 8.230 nan 0.000 0.431 179 A N -0.751 121.961 122.820 -0.181 0.000 1.972 179 A HA -0.148 4.180 4.320 0.013 0.000 0.219 179 A C 2.202 179.737 177.584 -0.081 0.000 1.169 179 A CA 1.849 53.595 52.037 -0.485 0.000 0.635 179 A CB -0.824 17.594 19.000 -0.970 0.000 0.810 179 A HN 0.539 nan 8.150 nan 0.000 0.446 180 L N -1.223 119.977 121.223 -0.039 0.000 2.109 180 L HA -0.202 4.146 4.340 0.013 0.000 0.207 180 L C 2.765 179.696 176.870 0.102 0.000 1.086 180 L CA 1.309 56.166 54.840 0.028 0.000 0.760 180 L CB -0.777 41.262 42.059 -0.034 0.000 0.910 180 L HN 0.486 nan 8.230 nan 0.000 0.437 181 Q N -0.747 119.123 119.800 0.117 0.000 2.079 181 Q HA -0.249 4.099 4.340 0.013 0.000 0.200 181 Q C 2.052 178.151 176.000 0.165 0.000 0.974 181 Q CA 1.908 57.787 55.803 0.128 0.000 0.840 181 Q CB -0.312 28.505 28.738 0.130 0.000 0.898 181 Q HN 0.521 nan 8.270 nan 0.000 0.430 182 W N 0.708 122.034 121.300 0.043 0.000 2.325 182 W HA -0.251 4.417 4.660 0.013 0.000 0.299 182 W C 1.796 178.351 176.519 0.060 0.000 1.215 182 W CA 1.378 58.763 57.345 0.067 0.000 1.244 182 W CB 0.016 29.518 29.460 0.071 0.000 1.140 182 W HN -0.124 nan 8.180 nan 0.000 0.523 183 V N 0.542 120.675 119.914 0.366 0.000 2.379 183 V HA -0.299 3.829 4.120 0.013 0.000 0.245 183 V C 2.514 178.640 176.094 0.053 0.000 1.044 183 V CA 1.873 64.322 62.300 0.248 0.000 1.036 183 V CB -0.929 31.057 31.823 0.270 0.000 0.664 183 V HN 0.165 nan 8.190 nan 0.000 0.453 184 Q N -0.028 119.806 119.800 0.057 0.000 2.061 184 Q HA -0.274 4.074 4.340 0.013 0.000 0.204 184 Q C 2.246 178.219 176.000 -0.045 0.000 0.984 184 Q CA 2.147 57.965 55.803 0.024 0.000 0.846 184 Q CB -0.274 28.485 28.738 0.035 0.000 0.902 184 Q HN 0.781 nan 8.270 nan 0.000 0.421 185 E N -0.314 119.820 120.200 -0.109 0.000 2.112 185 E HA -0.080 4.278 4.350 0.013 0.000 0.190 185 E C 1.206 177.654 176.600 -0.253 0.000 0.979 185 E CA 0.663 56.965 56.400 -0.164 0.000 0.814 185 E CB 0.316 29.916 29.700 -0.167 0.000 0.762 185 E HN 0.290 nan 8.360 nan 0.000 0.460 186 N N -0.101 118.343 118.700 -0.426 0.000 2.332 186 N HA -0.008 4.740 4.740 0.013 0.000 0.190 186 N C 1.513 176.895 175.510 -0.215 0.000 1.117 186 N CA 0.046 52.784 53.050 -0.520 0.000 0.883 186 N CB 0.315 38.060 38.487 -1.237 0.000 1.089 186 N HN 0.116 nan 8.380 nan 0.000 0.480 187 I N 2.410 122.922 120.570 -0.097 0.000 2.454 187 I HA -0.122 4.056 4.170 0.013 0.000 0.254 187 I C 2.144 178.374 176.117 0.188 0.000 1.156 187 I CA 0.493 61.893 61.300 0.165 0.000 1.433 187 I CB -0.264 37.822 38.000 0.143 0.000 1.082 187 I HN 0.048 nan 8.210 nan 0.000 0.432 188 A N 0.242 123.092 122.820 0.050 0.000 1.978 188 A HA -0.151 4.177 4.320 0.013 0.000 0.220 188 A C 2.485 180.058 177.584 -0.019 0.000 1.170 188 A CA 1.579 53.627 52.037 0.019 0.000 0.636 188 A CB -1.067 17.919 19.000 -0.024 0.000 0.810 188 A HN 0.464 nan 8.150 nan 0.000 0.448 189 A N -1.501 121.257 122.820 -0.103 0.000 2.076 189 A HA 0.027 4.354 4.320 0.013 0.000 0.220 189 A C 1.532 178.857 177.584 -0.431 0.000 1.160 189 A CA 1.342 53.185 52.037 -0.325 0.000 0.653 189 A CB -0.643 18.032 19.000 -0.541 0.000 0.801 189 A HN 0.530 nan 8.150 nan 0.000 0.455 190 F N -1.766 118.140 119.950 -0.074 0.000 2.678 190 F HA 0.401 4.936 4.527 0.013 0.000 0.305 190 F C 1.760 177.570 175.800 0.017 0.000 1.090 190 F CA 0.489 58.464 58.000 -0.041 0.000 1.272 190 F CB 0.390 39.377 39.000 -0.022 0.000 1.060 190 F HN 0.315 nan 8.300 nan 0.000 0.576 191 G N 0.271 109.156 108.800 0.141 0.000 2.175 191 G HA2 -0.185 3.783 3.960 0.013 0.000 0.244 191 G HA3 -0.185 3.783 3.960 0.013 0.000 0.244 191 G C 0.650 175.618 174.900 0.113 0.000 0.982 191 G CA -0.298 44.865 45.100 0.104 0.000 0.641 191 G HN 0.706 nan 8.290 nan 0.000 0.527 192 G N -0.298 108.592 108.800 0.151 0.000 2.444 192 G HA2 0.460 4.428 3.960 0.013 0.000 0.268 192 G HA3 0.460 4.428 3.960 0.013 0.000 0.268 192 G C -0.674 174.274 174.900 0.079 0.000 1.203 192 G CA 0.293 45.467 45.100 0.124 0.000 0.835 192 G HN 0.194 nan 8.290 nan 0.000 0.543 193 D N 1.982 122.415 120.400 0.056 0.000 2.396 193 D HA 0.266 4.914 4.640 0.013 0.000 0.225 193 D C -1.170 175.149 176.300 0.031 0.000 1.121 193 D CA -2.340 51.673 54.000 0.022 0.000 0.853 193 D CB 1.931 42.724 40.800 -0.012 0.000 1.043 193 D HN 0.073 nan 8.370 nan 0.000 0.500 194 P HA -0.036 nan 4.420 nan 0.000 0.233 194 P C 1.050 178.420 177.300 0.117 0.000 1.167 194 P CA 0.569 63.718 63.100 0.081 0.000 0.770 194 P CB 0.195 31.930 31.700 0.057 0.000 0.837 195 M N -1.178 118.424 119.600 0.003 0.000 2.453 195 M HA 0.123 4.611 4.480 0.013 0.000 0.239 195 M C 0.492 176.434 176.300 -0.597 0.000 1.151 195 M CA 0.318 55.544 55.300 -0.123 0.000 0.989 195 M CB 0.245 32.800 32.600 -0.075 0.000 1.548 195 M HN -0.186 nan 8.290 nan 0.000 0.479 196 S N 0.951 116.415 115.700 -0.393 0.000 2.356 196 S HA 0.427 4.905 4.470 0.013 0.000 0.171 196 S C -1.071 173.488 174.600 -0.068 0.000 1.399 196 S CA -0.526 57.437 58.200 -0.395 0.000 1.225 196 S CB 0.480 63.544 63.200 -0.226 0.000 1.271 196 S HN 0.015 nan 8.310 nan 0.000 0.427 197 V N 3.499 123.523 119.914 0.182 0.000 2.495 197 V HA 0.633 4.761 4.120 0.013 0.000 0.298 197 V C 0.016 176.308 176.094 0.329 0.000 1.031 197 V CA -0.467 62.014 62.300 0.301 0.000 0.871 197 V CB 1.968 34.015 31.823 0.373 0.000 0.988 197 V HN 0.706 nan 8.190 nan 0.000 0.432 198 T N 6.151 120.850 114.554 0.241 0.000 2.809 198 T HA 0.587 4.945 4.350 0.013 0.000 0.284 198 T C -0.367 174.497 174.700 0.273 0.000 0.992 198 T CA -0.363 61.884 62.100 0.244 0.000 0.957 198 T CB 0.921 69.870 68.868 0.135 0.000 0.942 198 T HN 0.369 nan 8.240 nan 0.000 0.439 199 L N 4.778 126.141 121.223 0.233 0.000 2.350 199 L HA 0.708 5.056 4.340 0.013 0.000 0.275 199 L C -0.442 176.662 176.870 0.390 0.000 1.099 199 L CA -0.829 54.128 54.840 0.195 0.000 0.808 199 L CB 0.318 42.296 42.059 -0.134 0.000 1.149 199 L HN 0.601 nan 8.230 nan 0.000 0.442 200 F N 0.142 120.168 119.950 0.128 0.000 2.601 200 F HA 0.967 5.501 4.527 0.013 0.000 0.309 200 F C -0.279 175.505 175.800 -0.026 0.000 1.089 200 F CA -1.677 56.438 58.000 0.192 0.000 0.940 200 F CB 1.505 40.768 39.000 0.438 0.000 1.273 200 F HN 0.497 nan 8.300 nan 0.000 0.450 201 G N 0.834 109.516 108.800 -0.196 0.000 2.601 201 G HA2 0.494 4.462 3.960 0.013 0.000 0.291 201 G HA3 0.494 4.462 3.960 0.013 0.000 0.291 201 G C -2.524 172.176 174.900 -0.333 0.000 1.456 201 G CA -0.789 43.779 45.100 -0.888 0.000 0.804 201 G HN 0.870 nan 8.290 nan 0.000 0.499 202 E N 0.265 120.245 120.200 -0.367 0.000 2.238 202 E HA 0.640 4.998 4.350 0.013 0.000 0.267 202 E C 0.654 177.210 176.600 -0.073 0.000 0.887 202 E CA 0.292 56.694 56.400 0.004 0.000 0.769 202 E CB 2.160 32.017 29.700 0.261 0.000 1.187 202 E HN 0.876 nan 8.360 nan 0.000 0.416 203 S N 2.685 118.406 115.700 0.036 0.000 4.139 203 S HA -0.391 4.087 4.470 0.013 0.000 0.603 203 S C 1.455 176.152 174.600 0.163 0.000 1.897 203 S CA 2.125 60.409 58.200 0.140 0.000 4.241 203 S CB -1.640 61.549 63.200 -0.018 0.000 0.221 203 S HN 0.972 nan 8.310 nan 0.000 0.488 204 A N 1.086 123.857 122.820 -0.082 0.000 2.019 204 A HA 0.182 4.509 4.320 0.013 0.000 0.219 204 A C 2.421 179.747 177.584 -0.430 0.000 1.164 204 A CA 2.350 54.146 52.037 -0.401 0.000 0.644 204 A CB -1.484 16.835 19.000 -1.135 0.000 0.805 204 A HN 1.537 nan 8.150 nan 0.000 0.449 205 G N -0.619 107.981 108.800 -0.334 0.000 2.402 205 G HA2 0.065 4.033 3.960 0.013 0.000 0.216 205 G HA3 0.065 4.033 3.960 0.013 0.000 0.216 205 G C 1.690 176.422 174.900 -0.281 0.000 1.162 205 G CA 1.156 46.014 45.100 -0.403 0.000 0.777 205 G HN 0.740 nan 8.290 nan 0.000 0.539 206 A N 1.081 123.810 122.820 -0.151 0.000 1.930 206 A HA 0.367 4.694 4.320 0.013 0.000 0.217 206 A C 2.774 180.347 177.584 -0.020 0.000 1.175 206 A CA 1.971 53.982 52.037 -0.044 0.000 0.627 206 A CB -0.652 18.381 19.000 0.056 0.000 0.815 206 A HN 0.668 nan 8.150 nan 0.000 0.443 207 A N -0.179 122.652 122.820 0.017 0.000 1.858 207 A HA -0.096 4.232 4.320 0.013 0.000 0.216 207 A C 2.438 180.025 177.584 0.005 0.000 1.190 207 A CA 2.122 54.164 52.037 0.008 0.000 0.617 207 A CB -1.084 17.962 19.000 0.075 0.000 0.827 207 A HN 0.457 nan 8.150 nan 0.000 0.443 208 S N -0.262 115.446 115.700 0.013 0.000 2.369 208 S HA -0.221 4.257 4.470 0.013 0.000 0.225 208 S C 1.902 176.452 174.600 -0.085 0.000 1.043 208 S CA 1.727 59.882 58.200 -0.075 0.000 1.074 208 S CB -0.874 62.220 63.200 -0.178 0.000 0.962 208 S HN 0.359 nan 8.310 nan 0.000 0.433 209 V N 1.708 121.587 119.914 -0.059 0.000 2.278 209 V HA -0.247 3.881 4.120 0.013 0.000 0.251 209 V C 2.632 178.698 176.094 -0.047 0.000 1.062 209 V CA 2.127 64.398 62.300 -0.049 0.000 1.038 209 V CB -1.596 30.182 31.823 -0.074 0.000 0.646 209 V HN 0.635 nan 8.190 nan 0.000 0.447 210 G N -1.223 107.553 108.800 -0.040 0.000 2.432 210 G HA2 -0.243 3.725 3.960 0.013 0.000 0.219 210 G HA3 -0.243 3.725 3.960 0.013 0.000 0.219 210 G C 1.578 176.480 174.900 0.004 0.000 1.135 210 G CA 0.944 46.028 45.100 -0.026 0.000 0.767 210 G HN 0.472 nan 8.290 nan 0.000 0.550 211 M N -0.143 119.441 119.600 -0.026 0.000 2.394 211 M HA 0.068 4.555 4.480 0.013 0.000 0.264 211 M C 2.191 178.543 176.300 0.087 0.000 1.073 211 M CA 0.647 55.965 55.300 0.030 0.000 1.111 211 M CB -0.151 32.441 32.600 -0.015 0.000 1.401 211 M HN 0.196 nan 8.290 nan 0.000 0.448 212 H N 0.073 119.237 119.070 0.157 0.000 2.395 212 H HA 0.017 4.580 4.556 0.013 0.000 0.299 212 H C 2.106 177.585 175.328 0.251 0.000 1.070 212 H CA 1.347 57.477 56.048 0.137 0.000 1.356 212 H CB -0.236 29.486 29.762 -0.066 0.000 1.401 212 H HN 0.408 nan 8.280 nan 0.000 0.524 213 I N 0.722 121.489 120.570 0.329 0.000 2.286 213 I HA -0.237 3.940 4.170 0.013 0.000 0.248 213 I C 2.010 178.316 176.117 0.316 0.000 1.115 213 I CA 1.055 62.616 61.300 0.435 0.000 1.392 213 I CB -0.126 38.044 38.000 0.283 0.000 1.065 213 I HN 0.117 nan 8.210 nan 0.000 0.418 214 L N -0.814 120.539 121.223 0.215 0.000 2.509 214 L HA 0.067 4.415 4.340 0.013 0.000 0.222 214 L C 1.089 178.012 176.870 0.088 0.000 1.123 214 L CA 0.095 55.042 54.840 0.178 0.000 0.856 214 L CB -0.040 42.100 42.059 0.135 0.000 0.985 214 L HN 0.037 nan 8.230 nan 0.000 0.456 215 S N -0.029 115.693 115.700 0.037 0.000 2.438 215 S HA 0.205 4.683 4.470 0.013 0.000 0.316 215 S C 0.704 175.237 174.600 -0.112 0.000 1.084 215 S CA -0.635 57.468 58.200 -0.161 0.000 1.107 215 S CB 1.272 64.096 63.200 -0.627 0.000 0.981 215 S HN 0.135 nan 8.310 nan 0.000 0.466 216 L N 7.896 129.055 121.223 -0.106 0.000 1.990 216 L HA 0.089 4.436 4.340 0.013 0.000 0.213 216 L C -1.133 175.696 176.870 -0.069 0.000 1.072 216 L CA 2.235 57.034 54.840 -0.069 0.000 0.755 216 L CB -1.461 40.558 42.059 -0.067 0.000 0.889 216 L HN 0.487 nan 8.230 nan 0.000 0.432 217 P HA -0.057 nan 4.420 nan 0.000 0.228 217 P C 1.538 178.828 177.300 -0.017 0.000 1.151 217 P CA 1.156 64.219 63.100 -0.062 0.000 0.770 217 P CB 0.000 31.656 31.700 -0.074 0.000 0.786 218 S N -1.118 114.591 115.700 0.016 0.000 2.501 218 S HA 0.056 4.534 4.470 0.013 0.000 0.220 218 S C 1.792 176.503 174.600 0.185 0.000 0.997 218 S CA 0.206 58.505 58.200 0.165 0.000 0.919 218 S CB -0.250 63.158 63.200 0.348 0.000 0.778 218 S HN 0.047 nan 8.310 nan 0.000 0.523 219 R N 1.910 122.427 120.500 0.028 0.000 2.115 219 R HA 0.028 4.376 4.340 0.013 0.000 0.230 219 R C 2.247 178.333 176.300 -0.356 0.000 1.111 219 R CA 1.316 57.301 56.100 -0.192 0.000 0.976 219 R CB -1.179 29.041 30.300 -0.133 0.000 0.870 219 R HN 0.541 nan 8.270 nan 0.000 0.445 220 S N -0.102 115.484 115.700 -0.189 0.000 2.607 220 S HA 0.072 4.550 4.470 0.013 0.000 0.224 220 S C 1.609 176.103 174.600 -0.176 0.000 0.969 220 S CA 0.322 58.410 58.200 -0.186 0.000 0.927 220 S CB -0.153 62.989 63.200 -0.096 0.000 0.772 220 S HN 0.216 nan 8.310 nan 0.000 0.533 221 L N 0.260 121.406 121.223 -0.128 0.000 2.766 221 L HA 0.512 4.860 4.340 0.013 0.000 0.242 221 L C -0.049 176.872 176.870 0.086 0.000 1.136 221 L CA -0.365 54.482 54.840 0.011 0.000 0.933 221 L CB 0.147 42.269 42.059 0.105 0.000 1.241 221 L HN 0.532 nan 8.230 nan 0.000 0.522 222 F N -4.178 115.637 119.950 -0.226 0.000 2.773 222 F HA 0.440 4.974 4.527 0.012 0.000 0.314 222 F C 0.152 175.730 175.800 -0.371 0.000 1.160 222 F CA -0.921 56.983 58.000 -0.159 0.000 0.920 222 F CB 0.866 39.859 39.000 -0.012 0.000 1.323 222 F HN -0.159 nan 8.300 nan 0.000 0.457 223 H N -0.455 118.664 119.070 0.081 0.000 3.067 223 H HA 0.443 5.007 4.556 0.013 0.000 0.241 223 H C -0.099 175.271 175.328 0.071 0.000 0.961 223 H CA -0.070 55.947 56.048 -0.051 0.000 1.123 223 H CB 1.122 30.864 29.762 -0.034 0.000 1.448 223 H HN 0.441 nan 8.280 nan 0.000 0.457 224 R N 0.128 120.858 120.500 0.382 0.000 2.799 224 R HA 0.709 5.057 4.340 0.013 0.000 0.270 224 R C -1.516 175.072 176.300 0.479 0.000 1.010 224 R CA -0.625 55.666 56.100 0.318 0.000 0.916 224 R CB 2.897 33.173 30.300 -0.039 0.000 1.228 224 R HN 0.144 nan 8.270 nan 0.000 0.469 225 A N 0.954 124.072 122.820 0.497 0.000 2.486 225 A HA 0.650 4.978 4.320 0.013 0.000 0.300 225 A C -1.482 176.235 177.584 0.221 0.000 1.048 225 A CA -0.590 51.639 52.037 0.319 0.000 0.696 225 A CB 1.875 20.991 19.000 0.194 0.000 1.278 225 A HN 0.302 nan 8.150 nan 0.000 0.405 226 V N 2.363 122.369 119.914 0.153 0.000 2.409 226 V HA 0.482 4.610 4.120 0.013 0.000 0.291 226 V C -1.073 175.109 176.094 0.147 0.000 1.020 226 V CA -0.313 62.014 62.300 0.045 0.000 0.848 226 V CB 1.100 32.936 31.823 0.022 0.000 0.990 226 V HN 0.670 nan 8.190 nan 0.000 0.430 227 L N 5.400 126.683 121.223 0.100 0.000 2.294 227 L HA 0.525 4.873 4.340 0.013 0.000 0.283 227 L C 0.048 177.033 176.870 0.192 0.000 1.015 227 L CA 0.045 54.952 54.840 0.111 0.000 0.831 227 L CB 1.400 43.480 42.059 0.034 0.000 1.217 227 L HN 0.609 nan 8.230 nan 0.000 0.420 228 Q N 2.065 122.027 119.800 0.270 0.000 2.372 228 Q HA 0.433 4.781 4.340 0.013 0.000 0.259 228 Q C 0.047 176.202 176.000 0.257 0.000 0.993 228 Q CA -0.481 55.546 55.803 0.374 0.000 0.854 228 Q CB 1.278 30.324 28.738 0.512 0.000 1.231 228 Q HN 0.655 nan 8.270 nan 0.000 0.462 229 S N 1.040 116.880 115.700 0.232 0.000 3.682 229 S HA -0.164 4.314 4.470 0.013 0.000 0.354 229 S C 0.034 174.854 174.600 0.366 0.000 1.034 229 S CA 0.528 58.898 58.200 0.283 0.000 1.084 229 S CB -1.196 62.181 63.200 0.294 0.000 0.903 229 S HN 0.988 nan 8.310 nan 0.000 0.470 230 G N -0.479 108.487 108.800 0.277 0.000 2.519 230 G HA2 0.657 4.624 3.960 0.013 0.000 0.292 230 G HA3 0.657 4.624 3.960 0.013 0.000 0.292 230 G C -0.936 174.039 174.900 0.126 0.000 1.507 230 G CA 0.205 45.512 45.100 0.344 0.000 0.806 230 G HN 1.023 nan 8.290 nan 0.000 0.523 231 T N -1.448 113.111 114.554 0.009 0.000 2.853 231 T HA 0.733 5.090 4.350 0.013 0.000 0.311 231 T C -2.464 172.093 174.700 -0.238 0.000 1.307 231 T CA -1.222 60.810 62.100 -0.114 0.000 1.019 231 T CB 2.967 71.753 68.868 -0.137 0.000 1.264 231 T HN 0.310 nan 8.240 nan 0.000 0.497 232 P HA 0.023 nan 4.420 nan 0.000 0.224 232 P C 0.232 177.372 177.300 -0.266 0.000 1.157 232 P CA 0.505 63.478 63.100 -0.211 0.000 0.799 232 P CB -0.007 31.624 31.700 -0.114 0.000 0.809 233 N N 0.663 119.223 118.700 -0.234 0.000 2.379 233 N HA 0.308 5.056 4.740 0.013 0.000 0.260 233 N C 0.751 176.056 175.510 -0.343 0.000 1.254 233 N CA 0.544 53.455 53.050 -0.231 0.000 0.958 233 N CB 0.090 38.485 38.487 -0.152 0.000 1.208 233 N HN 0.177 nan 8.380 nan 0.000 0.532 234 G N -0.904 107.713 108.800 -0.304 0.000 2.603 234 G HA2 -0.123 3.845 3.960 0.013 0.000 0.686 234 G HA3 -0.123 3.845 3.960 0.013 0.000 0.686 234 G C -2.218 172.436 174.900 -0.409 0.000 1.286 234 G CA -0.184 44.684 45.100 -0.388 0.000 0.871 234 G HN 0.570 nan 8.290 nan 0.000 0.568 235 P HA 0.137 nan 4.420 nan 0.000 0.240 235 P C 1.455 178.669 177.300 -0.144 0.000 1.190 235 P CA 1.817 64.768 63.100 -0.248 0.000 0.781 235 P CB -0.018 31.515 31.700 -0.279 0.000 0.931 236 W N -1.294 119.892 121.300 -0.190 0.000 2.940 236 W HA 0.568 5.235 4.660 0.012 0.000 0.297 236 W C 1.024 177.600 176.519 0.095 0.000 1.149 236 W CA 0.441 57.753 57.345 -0.055 0.000 1.564 236 W CB -0.787 28.676 29.460 0.004 0.000 1.010 236 W HN -0.165 nan 8.180 nan 0.000 0.578 237 A N 1.823 124.331 122.820 -0.519 0.000 2.123 237 A HA 0.162 4.490 4.320 0.013 0.000 0.214 237 A C 1.104 178.525 177.584 -0.271 0.000 1.152 237 A CA 1.685 53.470 52.037 -0.419 0.000 0.728 237 A CB -0.714 17.783 19.000 -0.839 0.000 0.814 237 A HN 0.227 nan 8.150 nan 0.000 0.464 238 T N -3.220 111.188 114.554 -0.243 0.000 2.865 238 T HA 0.623 4.981 4.350 0.013 0.000 0.294 238 T C -0.639 173.969 174.700 -0.153 0.000 1.119 238 T CA -0.112 61.857 62.100 -0.218 0.000 1.007 238 T CB 1.406 70.159 68.868 -0.192 0.000 1.225 238 T HN 0.883 nan 8.240 nan 0.000 0.515 239 V N -1.213 118.619 119.914 -0.136 0.000 3.040 239 V HA 0.897 5.025 4.120 0.013 0.000 0.312 239 V C 0.326 176.368 176.094 -0.086 0.000 1.115 239 V CA -0.848 61.387 62.300 -0.108 0.000 0.998 239 V CB 1.329 33.084 31.823 -0.113 0.000 1.042 239 V HN 1.381 nan 8.190 nan 0.000 0.433 240 S N 1.862 117.518 115.700 -0.073 0.000 2.596 240 S HA 0.538 5.016 4.470 0.013 0.000 0.260 240 S C 1.406 175.979 174.600 -0.045 0.000 1.336 240 S CA 0.126 58.293 58.200 -0.055 0.000 0.993 240 S CB 1.058 64.227 63.200 -0.051 0.000 0.923 240 S HN 1.933 nan 8.310 nan 0.000 0.567 241 A N 1.554 124.355 122.820 -0.031 0.000 1.902 241 A HA 0.142 4.470 4.320 0.013 0.000 0.217 241 A C 2.219 179.788 177.584 -0.026 0.000 1.181 241 A CA 1.600 53.624 52.037 -0.021 0.000 0.623 241 A CB -1.807 17.186 19.000 -0.012 0.000 0.818 241 A HN 1.126 nan 8.150 nan 0.000 0.443 242 G N -0.444 108.338 108.800 -0.030 0.000 2.422 242 G HA2 -0.220 3.748 3.960 0.013 0.000 0.218 242 G HA3 -0.220 3.748 3.960 0.013 0.000 0.218 242 G C 1.477 176.351 174.900 -0.042 0.000 1.146 242 G CA 1.383 46.464 45.100 -0.033 0.000 0.769 242 G HN 0.591 nan 8.290 nan 0.000 0.547 243 E N 1.008 121.175 120.200 -0.054 0.000 2.072 243 E HA 0.120 4.478 4.350 0.013 0.000 0.190 243 E C 2.674 179.225 176.600 -0.082 0.000 0.982 243 E CA 1.367 57.722 56.400 -0.074 0.000 0.803 243 E CB -0.599 29.048 29.700 -0.089 0.000 0.755 243 E HN 0.238 nan 8.360 nan 0.000 0.453 244 A N 1.329 124.111 122.820 -0.064 0.000 1.892 244 A HA -0.282 4.046 4.320 0.013 0.000 0.218 244 A C 2.339 179.917 177.584 -0.009 0.000 1.188 244 A CA 2.213 54.229 52.037 -0.035 0.000 0.631 244 A CB -0.811 18.188 19.000 -0.001 0.000 0.822 244 A HN 0.333 nan 8.150 nan 0.000 0.447 245 R N -0.676 119.815 120.500 -0.015 0.000 2.091 245 R HA -0.160 4.188 4.340 0.013 0.000 0.238 245 R C 2.451 178.742 176.300 -0.016 0.000 1.136 245 R CA 1.707 57.800 56.100 -0.012 0.000 0.959 245 R CB -0.330 29.959 30.300 -0.017 0.000 0.856 245 R HN 0.533 nan 8.270 nan 0.000 0.437 246 R N 0.476 120.957 120.500 -0.033 0.000 2.073 246 R HA -0.104 4.244 4.340 0.013 0.000 0.234 246 R C 2.212 178.489 176.300 -0.039 0.000 1.134 246 R CA 1.693 57.770 56.100 -0.038 0.000 0.952 246 R CB -0.110 30.158 30.300 -0.053 0.000 0.850 246 R HN 0.297 nan 8.270 nan 0.000 0.433 247 R N -0.268 120.191 120.500 -0.068 0.000 2.092 247 R HA -0.057 4.291 4.340 0.013 0.000 0.231 247 R C 2.275 178.625 176.300 0.084 0.000 1.119 247 R CA 1.272 57.312 56.100 -0.099 0.000 0.970 247 R CB -0.265 29.825 30.300 -0.349 0.000 0.864 247 R HN 0.234 nan 8.270 nan 0.000 0.440 248 A N 0.314 123.217 122.820 0.138 0.000 1.929 248 A HA -0.145 4.183 4.320 0.013 0.000 0.216 248 A C 2.207 179.819 177.584 0.047 0.000 1.176 248 A CA 1.894 54.027 52.037 0.159 0.000 0.628 248 A CB -0.573 18.462 19.000 0.058 0.000 0.816 248 A HN 0.368 nan 8.150 nan 0.000 0.444 249 T N -1.609 112.956 114.554 0.019 0.000 3.014 249 T HA -0.014 4.343 4.350 0.013 0.000 0.263 249 T C 1.746 176.450 174.700 0.006 0.000 1.078 249 T CA 1.234 63.333 62.100 -0.003 0.000 1.135 249 T CB -0.347 68.513 68.868 -0.014 0.000 0.895 249 T HN 0.174 nan 8.240 nan 0.000 0.480 250 L N 1.202 122.436 121.223 0.019 0.000 2.005 250 L HA 0.213 4.561 4.340 0.013 0.000 0.207 250 L C 2.299 179.196 176.870 0.044 0.000 1.072 250 L CA 1.780 56.634 54.840 0.023 0.000 0.744 250 L CB -1.321 40.747 42.059 0.015 0.000 0.895 250 L HN 0.389 nan 8.230 nan 0.000 0.433 251 L N 0.025 121.306 121.223 0.097 0.000 2.013 251 L HA -0.214 4.134 4.340 0.013 0.000 0.212 251 L C 2.510 179.389 176.870 0.016 0.000 1.073 251 L CA 2.308 57.215 54.840 0.112 0.000 0.753 251 L CB -0.970 41.215 42.059 0.210 0.000 0.890 251 L HN 0.328 nan 8.230 nan 0.000 0.432 252 A N -0.388 122.431 122.820 -0.001 0.000 1.873 252 A HA -0.290 4.038 4.320 0.013 0.000 0.218 252 A C 2.428 179.992 177.584 -0.033 0.000 1.193 252 A CA 2.197 54.216 52.037 -0.029 0.000 0.629 252 A CB -0.748 18.232 19.000 -0.034 0.000 0.826 252 A HN 0.532 nan 8.150 nan 0.000 0.447 253 R N -0.753 119.733 120.500 -0.023 0.000 2.094 253 R HA -0.166 4.182 4.340 0.013 0.000 0.239 253 R C 2.167 178.437 176.300 -0.050 0.000 1.137 253 R CA 1.796 57.881 56.100 -0.026 0.000 0.943 253 R CB -0.721 29.572 30.300 -0.013 0.000 0.850 253 R HN 0.586 nan 8.270 nan 0.000 0.433 254 L N 0.609 121.792 121.223 -0.066 0.000 2.081 254 L HA -0.150 4.198 4.340 0.013 0.000 0.212 254 L C 2.148 178.826 176.870 -0.320 0.000 1.080 254 L CA 1.130 55.879 54.840 -0.152 0.000 0.754 254 L CB -0.428 41.562 42.059 -0.114 0.000 0.893 254 L HN 0.196 nan 8.230 nan 0.000 0.433 255 V N -3.333 116.427 119.914 -0.257 0.000 3.514 255 V HA 0.464 4.591 4.120 0.013 0.000 0.301 255 V C 1.059 177.106 176.094 -0.079 0.000 1.346 255 V CA 0.184 62.364 62.300 -0.200 0.000 1.156 255 V CB -0.441 31.310 31.823 -0.120 0.000 1.029 255 V HN 0.486 nan 8.190 nan 0.000 0.428 256 G N -0.525 108.236 108.800 -0.065 0.000 2.248 256 G HA2 -0.215 3.752 3.960 0.013 0.000 0.263 256 G HA3 -0.215 3.752 3.960 0.013 0.000 0.263 256 G C 0.011 174.901 174.900 -0.016 0.000 1.082 256 G CA 0.053 45.135 45.100 -0.030 0.000 0.863 256 G HN 0.698 nan 8.290 nan 0.000 0.495 266 D N 1.350 121.748 120.400 -0.003 0.000 2.234 266 D HA 0.007 4.655 4.640 0.013 0.000 0.205 266 D C 1.360 177.659 176.300 -0.002 0.000 0.962 266 D CA 1.339 55.334 54.000 -0.008 0.000 0.855 266 D CB 0.310 41.104 40.800 -0.009 0.000 0.951 266 D HN 0.586 nan 8.370 nan 0.000 0.500 267 T N 0.676 115.235 114.554 0.007 0.000 2.708 267 T HA -0.134 4.224 4.350 0.013 0.000 0.266 267 T C 1.778 176.490 174.700 0.020 0.000 1.037 267 T CA 1.023 63.134 62.100 0.017 0.000 1.146 267 T CB -0.095 68.784 68.868 0.018 0.000 0.865 267 T HN 0.244 nan 8.240 nan 0.000 0.435 268 E N 0.467 120.675 120.200 0.013 0.000 2.051 268 E HA -0.097 4.261 4.350 0.013 0.000 0.192 268 E C 2.247 178.855 176.600 0.013 0.000 0.991 268 E CA 0.865 57.273 56.400 0.014 0.000 0.799 268 E CB -0.292 29.413 29.700 0.009 0.000 0.748 268 E HN 0.345 nan 8.360 nan 0.000 0.449 269 L N 0.839 122.064 121.223 0.003 0.000 2.013 269 L HA -0.243 4.105 4.340 0.013 0.000 0.212 269 L C 2.264 179.134 176.870 0.000 0.000 1.073 269 L CA 1.427 56.263 54.840 -0.007 0.000 0.753 269 L CB -0.122 41.922 42.059 -0.025 0.000 0.890 269 L HN 0.135 nan 8.230 nan 0.000 0.432 270 I N -0.610 119.964 120.570 0.006 0.000 2.353 270 I HA -0.195 3.983 4.170 0.013 0.000 0.248 270 I C 2.680 178.869 176.117 0.120 0.000 1.119 270 I CA 0.923 62.251 61.300 0.047 0.000 1.417 270 I CB -0.543 37.483 38.000 0.043 0.000 1.078 270 I HN 0.276 nan 8.210 nan 0.000 0.421 271 A N -0.260 122.606 122.820 0.078 0.000 1.978 271 A HA -0.296 4.032 4.320 0.013 0.000 0.220 271 A C 2.491 180.115 177.584 0.066 0.000 1.170 271 A CA 2.022 54.101 52.037 0.070 0.000 0.636 271 A CB -1.238 17.789 19.000 0.045 0.000 0.810 271 A HN 0.642 nan 8.150 nan 0.000 0.448 272 c N -0.958 117.677 118.600 0.057 0.000 2.492 272 c HA 0.176 4.754 4.570 0.013 0.000 0.279 272 c C 2.527 176.660 174.090 0.070 0.000 1.335 272 c CA 0.756 57.113 56.329 0.048 0.000 1.734 272 c CB -1.455 41.072 42.510 0.028 0.000 2.027 272 c HN 0.576 nan 8.230 nan 0.000 0.496 273 L N 0.560 121.847 121.223 0.106 0.000 2.083 273 L HA -0.094 4.254 4.340 0.013 0.000 0.209 273 L C 2.951 179.948 176.870 0.211 0.000 1.083 273 L CA 1.458 56.404 54.840 0.177 0.000 0.752 273 L CB -0.627 41.566 42.059 0.223 0.000 0.899 273 L HN 0.344 nan 8.230 nan 0.000 0.433 274 R N -0.489 120.125 120.500 0.191 0.000 2.189 274 R HA -0.101 4.246 4.340 0.013 0.000 0.223 274 R C 2.115 178.432 176.300 0.029 0.000 1.092 274 R CA 1.637 57.777 56.100 0.066 0.000 0.989 274 R CB -0.402 29.928 30.300 0.050 0.000 0.876 274 R HN 0.486 nan 8.270 nan 0.000 0.457 275 T N -1.394 113.186 114.554 0.044 0.000 3.148 275 T HA 0.098 4.456 4.350 0.013 0.000 0.253 275 T C 0.805 175.521 174.700 0.026 0.000 1.134 275 T CA 0.015 62.131 62.100 0.027 0.000 1.051 275 T CB 0.123 69.007 68.868 0.027 0.000 0.959 275 T HN -0.125 nan 8.240 nan 0.000 0.525 276 R N 2.406 122.930 120.500 0.039 0.000 2.349 276 R HA 0.428 4.775 4.340 0.013 0.000 0.299 276 R C -2.813 173.504 176.300 0.028 0.000 1.027 276 R CA -2.674 53.451 56.100 0.041 0.000 0.958 276 R CB 0.299 30.635 30.300 0.059 0.000 1.047 276 R HN 0.207 nan 8.270 nan 0.000 0.468 277 P HA -0.046 nan 4.420 nan 0.000 0.265 277 P C 0.384 177.665 177.300 -0.032 0.000 1.187 277 P CA 0.310 63.399 63.100 -0.018 0.000 0.766 277 P CB 0.607 32.307 31.700 0.000 0.000 0.820 278 A N 3.063 125.787 122.820 -0.161 0.000 1.917 278 A HA -0.300 4.028 4.320 0.013 0.000 0.219 278 A C 2.161 179.662 177.584 -0.138 0.000 1.182 278 A CA 2.055 53.951 52.037 -0.236 0.000 0.633 278 A CB -1.247 17.085 19.000 -1.114 0.000 0.819 278 A HN 0.546 nan 8.150 nan 0.000 0.448 279 Q N -0.102 119.603 119.800 -0.159 0.000 2.124 279 Q HA -0.161 4.187 4.340 0.013 0.000 0.202 279 Q C 1.378 177.458 176.000 0.133 0.000 0.977 279 Q CA 1.947 57.805 55.803 0.092 0.000 0.850 279 Q CB -0.392 28.433 28.738 0.145 0.000 0.901 279 Q HN 0.639 nan 8.270 nan 0.000 0.429 280 D N -0.421 120.046 120.400 0.113 0.000 2.133 280 D HA -0.174 4.474 4.640 0.013 0.000 0.195 280 D C 1.724 178.172 176.300 0.247 0.000 0.997 280 D CA 1.214 55.323 54.000 0.182 0.000 0.840 280 D CB -0.152 40.740 40.800 0.153 0.000 0.947 280 D HN 0.315 nan 8.370 nan 0.000 0.452 281 L N -0.056 121.259 121.223 0.154 0.000 2.027 281 L HA -0.108 4.240 4.340 0.013 0.000 0.206 281 L C 2.529 179.475 176.870 0.127 0.000 1.074 281 L CA 0.568 55.461 54.840 0.088 0.000 0.745 281 L CB -0.564 41.427 42.059 -0.114 0.000 0.898 281 L HN -0.046 nan 8.230 nan 0.000 0.433 282 V N 0.073 120.103 119.914 0.194 0.000 2.392 282 V HA -0.288 3.840 4.120 0.013 0.000 0.249 282 V C 2.010 178.201 176.094 0.161 0.000 1.059 282 V CA 1.860 64.318 62.300 0.263 0.000 1.051 282 V CB -0.545 31.534 31.823 0.425 0.000 0.658 282 V HN 0.426 nan 8.190 nan 0.000 0.455 283 D N -0.977 119.467 120.400 0.074 0.000 2.263 283 D HA -0.117 4.531 4.640 0.013 0.000 0.208 283 D C 1.691 177.719 176.300 -0.453 0.000 0.971 283 D CA 1.267 55.176 54.000 -0.151 0.000 0.867 283 D CB -0.140 40.520 40.800 -0.232 0.000 0.929 283 D HN 0.658 nan 8.370 nan 0.000 0.492 284 H N -1.135 117.909 119.070 -0.044 0.000 2.893 284 H HA 0.121 4.685 4.556 0.013 0.000 0.270 284 H C 1.589 176.907 175.328 -0.017 0.000 1.095 284 H CA 0.144 56.118 56.048 -0.123 0.000 1.186 284 H CB 0.443 30.242 29.762 0.061 0.000 1.562 284 H HN 0.207 nan 8.280 nan 0.000 0.536 285 E N 0.653 120.969 120.200 0.194 0.000 2.118 285 E HA -0.232 4.126 4.350 0.013 0.000 0.195 285 E C 1.416 178.229 176.600 0.356 0.000 0.992 285 E CA 0.934 57.566 56.400 0.387 0.000 0.804 285 E CB -0.346 29.627 29.700 0.455 0.000 0.741 285 E HN 0.575 nan 8.360 nan 0.000 0.458 286 W N 0.980 122.230 121.300 -0.084 0.000 2.800 286 W HA -0.027 4.640 4.660 0.012 0.000 0.249 286 W C 0.844 177.413 176.519 0.083 0.000 1.294 286 W CA 0.356 57.652 57.345 -0.082 0.000 1.402 286 W CB 0.204 29.544 29.460 -0.199 0.000 1.126 286 W HN 0.275 nan 8.180 nan 0.000 0.652 287 H N -0.329 118.826 119.070 0.142 0.000 2.556 287 H HA -0.038 4.526 4.556 0.013 0.000 0.268 287 H C 1.862 177.184 175.328 -0.011 0.000 0.996 287 H CA 0.991 57.087 56.048 0.079 0.000 1.157 287 H CB -0.644 29.213 29.762 0.158 0.000 1.355 287 H HN 0.157 nan 8.280 nan 0.000 0.597 288 V N -2.751 117.171 119.914 0.014 0.000 3.528 288 V HA 0.254 4.382 4.120 0.013 0.000 0.294 288 V C 0.661 176.626 176.094 -0.214 0.000 1.404 288 V CA -0.232 62.018 62.300 -0.083 0.000 1.065 288 V CB -0.209 31.567 31.823 -0.078 0.000 0.904 288 V HN -0.017 nan 8.190 nan 0.000 0.435 289 L N 2.616 123.661 121.223 -0.296 0.000 2.453 289 L HA 0.271 4.619 4.340 0.013 0.000 0.272 289 L C -0.333 176.416 176.870 -0.201 0.000 1.182 289 L CA -0.999 53.645 54.840 -0.326 0.000 0.858 289 L CB 0.893 42.682 42.059 -0.450 0.000 1.120 289 L HN 0.147 nan 8.230 nan 0.000 0.474 290 P HA -0.088 nan 4.420 nan 0.000 0.219 290 P C -0.272 176.972 177.300 -0.094 0.000 1.150 290 P CA 1.094 64.123 63.100 -0.118 0.000 0.814 290 P CB 0.417 32.052 31.700 -0.109 0.000 0.787 291 Q N -0.777 118.962 119.800 -0.101 0.000 2.433 291 Q HA 0.334 4.682 4.340 0.013 0.000 0.279 291 Q C -0.481 175.475 176.000 -0.073 0.000 1.105 291 Q CA -0.810 54.950 55.803 -0.072 0.000 0.815 291 Q CB 1.267 29.972 28.738 -0.055 0.000 1.403 291 Q HN 0.003 nan 8.270 nan 0.000 0.435 292 E N 1.240 121.416 120.200 -0.039 0.000 2.585 292 E HA 0.199 4.556 4.350 0.013 0.000 0.252 292 E C -0.996 175.596 176.600 -0.014 0.000 0.981 292 E CA 0.208 56.600 56.400 -0.013 0.000 0.943 292 E CB 0.204 29.910 29.700 0.010 0.000 0.923 292 E HN 0.606 nan 8.360 nan 0.000 0.486 293 S N 4.163 119.857 115.700 -0.010 0.000 2.588 293 S HA 0.622 5.100 4.470 0.013 0.000 0.269 293 S C -0.423 174.189 174.600 0.021 0.000 1.157 293 S CA -1.072 57.117 58.200 -0.018 0.000 0.824 293 S CB 0.865 64.016 63.200 -0.081 0.000 1.126 293 S HN 0.560 nan 8.310 nan 0.000 0.464 294 I N -2.274 118.310 120.570 0.024 0.000 2.785 294 I HA 0.786 4.963 4.170 0.013 0.000 0.302 294 I C -0.256 175.841 176.117 -0.033 0.000 1.069 294 I CA -1.065 60.272 61.300 0.062 0.000 1.045 294 I CB 1.350 39.442 38.000 0.154 0.000 1.236 294 I HN 0.800 nan 8.210 nan 0.000 0.429 295 F N 1.697 121.432 119.950 -0.358 0.000 3.057 295 F HA -0.182 4.353 4.527 0.013 0.000 0.287 295 F C -0.176 175.010 175.800 -1.024 0.000 0.834 295 F CA 0.653 58.142 58.000 -0.851 0.000 1.147 295 F CB -0.697 37.742 39.000 -0.935 0.000 1.245 295 F HN 0.610 nan 8.300 nan 0.000 0.509 296 R N 0.285 120.339 120.500 -0.744 0.000 2.670 296 R HA 0.696 5.043 4.340 0.013 0.000 0.289 296 R C -0.916 174.855 176.300 -0.881 0.000 0.965 296 R CA -0.638 55.050 56.100 -0.687 0.000 0.899 296 R CB 1.044 31.131 30.300 -0.356 0.000 1.173 296 R HN -0.003 nan 8.270 nan 0.000 0.456 297 F N -0.751 119.205 119.950 0.010 0.000 2.540 297 F HA 0.355 4.889 4.527 0.012 0.000 0.317 297 F C 1.499 177.141 175.800 -0.264 0.000 1.104 297 F CA -0.801 57.185 58.000 -0.023 0.000 0.913 297 F CB 1.833 41.094 39.000 0.436 0.000 1.170 297 F HN 0.354 nan 8.300 nan 0.000 0.450 298 S N 0.946 116.415 115.700 -0.384 0.000 2.348 298 S HA -0.050 4.428 4.470 0.013 0.000 0.221 298 S C 0.051 174.295 174.600 -0.592 0.000 1.033 298 S CA 1.265 59.126 58.200 -0.564 0.000 1.010 298 S CB -0.219 62.640 63.200 -0.568 0.000 0.891 298 S HN 0.362 nan 8.310 nan 0.000 0.442 299 F N 1.413 121.451 119.950 0.146 0.000 2.382 299 F HA 0.566 5.101 4.527 0.013 0.000 0.361 299 F C -0.037 175.823 175.800 0.100 0.000 1.109 299 F CA -0.910 57.187 58.000 0.162 0.000 1.031 299 F CB 1.397 40.542 39.000 0.242 0.000 1.234 299 F HN -0.085 nan 8.300 nan 0.000 0.445 300 V N 0.889 120.779 119.914 -0.040 0.000 3.182 300 V HA 0.753 4.880 4.120 0.013 0.000 0.308 300 V C -2.938 172.749 176.094 -0.678 0.000 1.240 300 V CA -3.299 58.610 62.300 -0.652 0.000 1.063 300 V CB 2.016 33.647 31.823 -0.320 0.000 1.076 300 V HN 0.268 nan 8.190 nan 0.000 0.446 301 P HA 0.134 nan 4.420 nan 0.000 0.263 301 P C -0.654 176.498 177.300 -0.246 0.000 1.175 301 P CA 0.495 63.305 63.100 -0.485 0.000 0.761 301 P CB 0.532 31.880 31.700 -0.586 0.000 0.794 302 V N 5.070 124.922 119.914 -0.104 0.000 2.483 302 V HA 0.218 4.346 4.120 0.013 0.000 0.295 302 V C -0.248 175.823 176.094 -0.039 0.000 1.035 302 V CA -0.857 61.408 62.300 -0.060 0.000 0.896 302 V CB 1.992 33.812 31.823 -0.005 0.000 0.986 302 V HN 0.143 nan 8.190 nan 0.000 0.447 303 V N 7.599 127.490 119.914 -0.039 0.000 2.341 303 V HA 0.149 4.276 4.120 0.013 0.000 0.248 303 V C 0.885 176.982 176.094 0.005 0.000 1.107 303 V CA 0.362 62.654 62.300 -0.014 0.000 1.069 303 V CB 0.043 31.850 31.823 -0.027 0.000 1.177 303 V HN 1.065 nan 8.190 nan 0.000 0.492 304 D N 2.698 123.116 120.400 0.030 0.000 2.354 304 D HA 0.087 4.735 4.640 0.013 0.000 0.209 304 D C 1.549 177.872 176.300 0.038 0.000 1.015 304 D CA 0.712 54.735 54.000 0.038 0.000 0.867 304 D CB 0.232 41.068 40.800 0.061 0.000 0.933 304 D HN 0.675 nan 8.370 nan 0.000 0.520 305 G N 0.746 109.570 108.800 0.039 0.000 2.160 305 G HA2 -0.308 3.659 3.960 0.013 0.000 0.251 305 G HA3 -0.308 3.659 3.960 0.013 0.000 0.251 305 G C 0.277 175.202 174.900 0.041 0.000 1.008 305 G CA 0.777 45.896 45.100 0.032 0.000 0.724 305 G HN 0.554 nan 8.290 nan 0.000 0.514 306 D N -1.822 118.619 120.400 0.069 0.000 3.000 306 D HA 0.191 4.839 4.640 0.013 0.000 0.190 306 D C 1.660 178.020 176.300 0.099 0.000 1.503 306 D CA 0.386 54.431 54.000 0.075 0.000 1.496 306 D CB -0.685 40.168 40.800 0.089 0.000 1.163 306 D HN 0.073 nan 8.370 nan 0.000 0.231 307 F N 1.300 121.262 119.950 0.019 0.000 2.095 307 F HA 0.164 4.699 4.527 0.013 0.000 0.298 307 F C 0.585 176.389 175.800 0.006 0.000 1.104 307 F CA 1.278 59.290 58.000 0.019 0.000 1.232 307 F CB 0.154 39.164 39.000 0.018 0.000 0.987 307 F HN -0.007 nan 8.300 nan 0.000 0.475 308 L N 0.693 122.080 121.223 0.274 0.000 2.295 308 L HA 0.205 4.553 4.340 0.013 0.000 0.281 308 L C 1.293 178.207 176.870 0.074 0.000 1.018 308 L CA -0.278 54.652 54.840 0.151 0.000 0.841 308 L CB 1.399 43.533 42.059 0.126 0.000 1.218 308 L HN 0.024 nan 8.230 nan 0.000 0.424 309 S N 0.132 115.857 115.700 0.041 0.000 2.507 309 S HA -0.007 4.471 4.470 0.013 0.000 0.235 309 S C 0.427 175.036 174.600 0.016 0.000 0.988 309 S CA 0.390 58.603 58.200 0.021 0.000 0.944 309 S CB 0.034 63.236 63.200 0.005 0.000 0.762 309 S HN 0.740 nan 8.310 nan 0.000 0.526 310 D N 0.011 120.421 120.400 0.018 0.000 2.769 310 D HA 0.188 4.835 4.640 0.013 0.000 0.309 310 D C -0.990 175.312 176.300 0.003 0.000 1.315 310 D CA 0.020 54.024 54.000 0.007 0.000 0.780 310 D CB 1.173 41.975 40.800 0.004 0.000 1.312 310 D HN 0.195 nan 8.370 nan 0.000 0.437 311 T N -0.456 114.092 114.554 -0.011 0.000 2.946 311 T HA 0.201 4.559 4.350 0.013 0.000 0.311 311 T C -1.765 172.924 174.700 -0.018 0.000 1.063 311 T CA -0.579 61.505 62.100 -0.027 0.000 1.139 311 T CB 0.932 69.777 68.868 -0.037 0.000 0.994 311 T HN 0.108 nan 8.240 nan 0.000 0.547 312 P HA -0.155 nan 4.420 nan 0.000 0.217 312 P C 1.559 178.848 177.300 -0.018 0.000 1.151 312 P CA 1.097 64.179 63.100 -0.029 0.000 0.849 312 P CB 0.090 31.742 31.700 -0.081 0.000 0.787 313 E N -0.836 119.342 120.200 -0.035 0.000 2.077 313 E HA -0.190 4.168 4.350 0.013 0.000 0.193 313 E C 1.952 178.555 176.600 0.005 0.000 0.989 313 E CA 1.337 57.724 56.400 -0.023 0.000 0.800 313 E CB -0.374 29.304 29.700 -0.036 0.000 0.746 313 E HN 0.109 nan 8.360 nan 0.000 0.452 314 A N 0.803 123.625 122.820 0.004 0.000 1.930 314 A HA -0.116 4.212 4.320 0.013 0.000 0.217 314 A C 2.191 179.796 177.584 0.036 0.000 1.175 314 A CA 0.873 52.918 52.037 0.013 0.000 0.627 314 A CB -0.476 18.526 19.000 0.003 0.000 0.815 314 A HN 0.190 nan 8.150 nan 0.000 0.443 315 L N -0.061 121.193 121.223 0.050 0.000 2.072 315 L HA -0.100 4.248 4.340 0.013 0.000 0.205 315 L C 2.601 179.588 176.870 0.195 0.000 1.079 315 L CA 1.400 56.295 54.840 0.091 0.000 0.752 315 L CB -0.681 41.433 42.059 0.091 0.000 0.906 315 L HN 0.648 nan 8.230 nan 0.000 0.436 316 I N -2.270 118.408 120.570 0.179 0.000 2.315 316 I HA -0.176 4.002 4.170 0.013 0.000 0.248 316 I C 2.002 178.256 176.117 0.228 0.000 1.117 316 I CA 1.473 62.916 61.300 0.237 0.000 1.404 316 I CB -0.484 37.544 38.000 0.046 0.000 1.071 316 I HN 0.179 nan 8.210 nan 0.000 0.419 317 N N 1.148 119.922 118.700 0.123 0.000 2.309 317 N HA -0.111 4.637 4.740 0.013 0.000 0.182 317 N C 1.822 177.383 175.510 0.085 0.000 1.018 317 N CA 2.068 55.173 53.050 0.092 0.000 0.876 317 N CB -0.364 38.153 38.487 0.049 0.000 0.972 317 N HN 0.717 nan 8.380 nan 0.000 0.434 318 T N -3.908 110.688 114.554 0.070 0.000 3.040 318 T HA 0.316 4.673 4.350 0.013 0.000 0.266 318 T C 0.933 175.603 174.700 -0.051 0.000 1.005 318 T CA -0.348 61.761 62.100 0.015 0.000 0.906 318 T CB 0.074 68.941 68.868 -0.002 0.000 1.082 318 T HN 0.041 nan 8.240 nan 0.000 0.531 319 G N 0.864 109.624 108.800 -0.066 0.000 2.606 319 G HA2 0.411 4.378 3.960 0.013 0.000 0.252 319 G HA3 0.411 4.378 3.960 0.013 0.000 0.252 319 G C -1.067 173.395 174.900 -0.730 0.000 1.206 319 G CA -0.340 44.484 45.100 -0.459 0.000 0.861 319 G HN 0.314 nan 8.290 nan 0.000 0.561 320 D N 0.240 120.119 120.400 -0.869 0.000 2.381 320 D HA 0.341 4.988 4.640 0.013 0.000 0.235 320 D C -0.657 175.193 176.300 -0.750 0.000 1.068 320 D CA -0.679 52.967 54.000 -0.590 0.000 0.832 320 D CB 0.965 41.592 40.800 -0.289 0.000 1.101 320 D HN 0.122 nan 8.370 nan 0.000 0.515 321 F N 2.575 122.535 119.950 0.016 0.000 2.855 321 F HA 0.200 4.735 4.527 0.013 0.000 0.317 321 F C 1.893 177.705 175.800 0.020 0.000 1.169 321 F CA -0.570 57.444 58.000 0.023 0.000 1.299 321 F CB 0.264 39.289 39.000 0.042 0.000 0.962 321 F HN 0.291 nan 8.300 nan 0.000 0.506 322 Q N 1.367 121.218 119.800 0.084 0.000 1.968 322 Q HA -0.302 4.046 4.340 0.013 0.000 0.216 322 Q C 1.145 177.184 176.000 0.064 0.000 1.037 322 Q CA 2.383 58.218 55.803 0.054 0.000 0.889 322 Q CB -0.227 28.513 28.738 0.004 0.000 0.998 322 Q HN 0.322 nan 8.270 nan 0.000 0.417 323 D N -0.516 119.910 120.400 0.043 0.000 3.060 323 D HA 0.209 4.857 4.640 0.013 0.000 0.245 323 D C -1.363 174.964 176.300 0.046 0.000 1.274 323 D CA -0.073 53.945 54.000 0.030 0.000 0.864 323 D CB -0.217 40.582 40.800 -0.002 0.000 1.073 323 D HN 0.100 nan 8.370 nan 0.000 0.473 324 L N 0.812 122.090 121.223 0.091 0.000 2.422 324 L HA 0.529 4.877 4.340 0.013 0.000 0.264 324 L C -1.578 175.380 176.870 0.147 0.000 0.984 324 L CA -0.495 54.420 54.840 0.125 0.000 0.819 324 L CB 2.122 44.290 42.059 0.182 0.000 1.330 324 L HN -0.179 nan 8.230 nan 0.000 0.410 325 Q N 3.137 123.044 119.800 0.178 0.000 2.340 325 Q HA 0.788 5.136 4.340 0.013 0.000 0.268 325 Q C -1.452 174.833 176.000 0.476 0.000 1.031 325 Q CA -0.491 55.477 55.803 0.274 0.000 0.804 325 Q CB 2.667 31.521 28.738 0.193 0.000 1.286 325 Q HN 0.461 nan 8.270 nan 0.000 0.448 326 V N 2.463 122.609 119.914 0.387 0.000 2.656 326 V HA 0.525 4.653 4.120 0.013 0.000 0.307 326 V C -1.233 174.812 176.094 -0.081 0.000 1.051 326 V CA -0.894 61.529 62.300 0.205 0.000 0.893 326 V CB 1.881 33.746 31.823 0.071 0.000 0.999 326 V HN 0.642 nan 8.190 nan 0.000 0.426 327 L N 6.389 127.308 121.223 -0.506 0.000 2.307 327 L HA 0.907 5.255 4.340 0.013 0.000 0.284 327 L C -0.455 176.300 176.870 -0.192 0.000 1.023 327 L CA -0.102 54.403 54.840 -0.558 0.000 0.810 327 L CB 1.698 42.992 42.059 -1.275 0.000 1.231 327 L HN 0.660 nan 8.230 nan 0.000 0.423 328 V N 1.912 121.805 119.914 -0.036 0.000 3.049 328 V HA 1.118 5.246 4.120 0.013 0.000 0.309 328 V C -0.382 175.565 176.094 -0.245 0.000 1.148 328 V CA 0.269 62.537 62.300 -0.054 0.000 0.990 328 V CB 1.239 32.984 31.823 -0.129 0.000 1.039 328 V HN 1.090 nan 8.190 nan 0.000 0.430 329 G N 0.944 109.447 108.800 -0.494 0.000 2.430 329 G HA2 0.802 4.770 3.960 0.013 0.000 0.300 329 G HA3 0.802 4.770 3.960 0.013 0.000 0.300 329 G C -1.194 173.393 174.900 -0.522 0.000 1.330 329 G CA 0.127 44.511 45.100 -1.195 0.000 0.813 329 G HN 2.166 nan 8.290 nan 0.000 0.487 330 V N -2.527 117.187 119.914 -0.333 0.000 3.188 330 V HA 0.911 5.038 4.120 0.013 0.000 0.305 330 V C 0.159 176.426 176.094 0.289 0.000 1.232 330 V CA -0.388 61.953 62.300 0.069 0.000 1.043 330 V CB 1.097 32.943 31.823 0.038 0.000 1.068 330 V HN 1.936 nan 8.190 nan 0.000 0.439 331 V N -0.281 119.841 119.914 0.348 0.000 3.109 331 V HA 0.570 4.698 4.120 0.013 0.000 0.317 331 V C 1.432 177.726 176.094 0.333 0.000 1.074 331 V CA 0.062 62.621 62.300 0.433 0.000 1.033 331 V CB 1.326 33.410 31.823 0.435 0.000 1.111 331 V HN 1.125 nan 8.190 nan 0.000 0.458 332 K N 0.098 120.692 120.400 0.322 0.000 2.147 332 K HA -0.096 4.231 4.320 0.013 0.000 0.205 332 K C -0.055 176.674 176.600 0.215 0.000 1.049 332 K CA 2.058 58.487 56.287 0.236 0.000 0.936 332 K CB -0.001 32.615 32.500 0.192 0.000 0.722 332 K HN 0.951 nan 8.250 nan 0.000 0.446 333 D N 0.614 121.153 120.400 0.231 0.000 2.613 333 D HA 0.070 4.718 4.640 0.013 0.000 0.312 333 D C 0.049 176.497 176.300 0.247 0.000 1.202 333 D CA -0.223 53.902 54.000 0.208 0.000 0.825 333 D CB 1.349 42.245 40.800 0.159 0.000 1.113 333 D HN 0.033 nan 8.370 nan 0.000 0.502 334 E N 0.483 120.841 120.200 0.264 0.000 2.118 334 E HA -0.129 4.229 4.350 0.013 0.000 0.195 334 E C 2.040 178.850 176.600 0.349 0.000 0.992 334 E CA 1.026 57.619 56.400 0.322 0.000 0.804 334 E CB 0.018 29.866 29.700 0.247 0.000 0.741 334 E HN 0.509 nan 8.360 nan 0.000 0.458 335 G N 0.848 109.813 108.800 0.274 0.000 2.683 335 G HA2 -0.137 3.831 3.960 0.013 0.000 0.213 335 G HA3 -0.137 3.831 3.960 0.013 0.000 0.213 335 G C 1.706 176.798 174.900 0.320 0.000 1.142 335 G CA 0.743 46.030 45.100 0.312 0.000 0.793 335 G HN 0.351 nan 8.290 nan 0.000 0.534 336 S N -0.046 115.786 115.700 0.221 0.000 2.370 336 S HA -0.243 4.235 4.470 0.013 0.000 0.226 336 S C 2.072 176.693 174.600 0.034 0.000 1.033 336 S CA 1.220 59.502 58.200 0.137 0.000 1.011 336 S CB -0.916 62.256 63.200 -0.047 0.000 0.852 336 S HN 0.481 nan 8.310 nan 0.000 0.457 337 Y N 1.233 121.397 120.300 -0.226 0.000 2.151 337 Y HA -0.211 4.346 4.550 0.012 0.000 0.284 337 Y C 1.828 177.543 175.900 -0.307 0.000 1.166 337 Y CA 1.706 59.522 58.100 -0.473 0.000 1.163 337 Y CB -0.298 37.783 38.460 -0.631 0.000 0.974 337 Y HN 0.283 nan 8.280 nan 0.000 0.511 338 F N -0.536 119.517 119.950 0.172 0.000 2.407 338 F HA -0.159 4.376 4.527 0.013 0.000 0.299 338 F C 1.897 177.790 175.800 0.156 0.000 1.097 338 F CA 0.699 58.767 58.000 0.113 0.000 1.422 338 F CB -0.333 38.645 39.000 -0.037 0.000 1.067 338 F HN 0.024 nan 8.300 nan 0.000 0.539 339 L N -0.144 121.211 121.223 0.219 0.000 2.056 339 L HA -0.139 4.209 4.340 0.013 0.000 0.207 339 L C 2.489 179.462 176.870 0.173 0.000 1.078 339 L CA 1.146 55.990 54.840 0.006 0.000 0.749 339 L CB -0.975 40.829 42.059 -0.425 0.000 0.901 339 L HN 0.155 nan 8.230 nan 0.000 0.433 340 V N -4.332 115.745 119.914 0.271 0.000 3.305 340 V HA -0.203 3.925 4.120 0.013 0.000 0.269 340 V C 1.368 177.511 176.094 0.082 0.000 1.157 340 V CA 1.064 63.517 62.300 0.255 0.000 1.157 340 V CB -1.186 30.795 31.823 0.264 0.000 0.772 340 V HN 0.339 nan 8.190 nan 0.000 0.498 341 Y N 1.303 121.725 120.300 0.203 0.000 2.571 341 Y HA 0.653 5.211 4.550 0.013 0.000 0.275 341 Y C 1.776 177.761 175.900 0.142 0.000 1.179 341 Y CA 0.367 58.561 58.100 0.155 0.000 1.242 341 Y CB 0.823 39.367 38.460 0.140 0.000 1.126 341 Y HN 0.396 nan 8.280 nan 0.000 0.524 342 G N -1.406 107.546 108.800 0.254 0.000 4.258 342 G HA2 -0.010 3.958 3.960 0.013 0.000 0.208 342 G HA3 -0.010 3.958 3.960 0.013 0.000 0.208 342 G C -0.786 174.223 174.900 0.180 0.000 0.777 342 G CA -0.339 44.885 45.100 0.207 0.000 0.836 342 G HN -0.070 nan 8.290 nan 0.000 0.499 343 V N 3.276 123.316 119.914 0.209 0.000 2.348 343 V HA 0.398 4.526 4.120 0.013 0.000 0.270 343 V C -2.049 174.254 176.094 0.348 0.000 1.037 343 V CA -1.662 60.795 62.300 0.262 0.000 0.872 343 V CB 1.200 33.160 31.823 0.227 0.000 1.002 343 V HN 0.041 nan 8.190 nan 0.000 0.464 344 P HA 0.225 nan 4.420 nan 0.000 0.264 344 P C 1.044 178.415 177.300 0.118 0.000 1.183 344 P CA 1.292 64.484 63.100 0.153 0.000 0.763 344 P CB 0.637 32.393 31.700 0.094 0.000 0.807 345 G N 1.135 109.945 108.800 0.016 0.000 2.213 345 G HA2 -0.213 3.755 3.960 0.013 0.000 0.226 345 G HA3 -0.213 3.755 3.960 0.013 0.000 0.226 345 G C -0.191 174.478 174.900 -0.386 0.000 0.992 345 G CA -0.590 44.388 45.100 -0.203 0.000 0.632 345 G HN 0.403 nan 8.290 nan 0.000 0.511 346 F N 1.655 121.610 119.950 0.008 0.000 2.420 346 F HA 0.777 5.312 4.527 0.013 0.000 0.342 346 F C 0.576 176.463 175.800 0.145 0.000 1.113 346 F CA -0.163 57.858 58.000 0.034 0.000 1.059 346 F CB 2.250 41.315 39.000 0.108 0.000 1.128 346 F HN 0.148 nan 8.300 nan 0.000 0.475 347 S N 1.826 117.749 115.700 0.371 0.000 2.556 347 S HA 0.284 4.761 4.470 0.013 0.000 0.271 347 S C 0.413 175.282 174.600 0.449 0.000 1.135 347 S CA -0.890 57.520 58.200 0.350 0.000 0.858 347 S CB 1.425 64.741 63.200 0.194 0.000 1.114 347 S HN 0.773 nan 8.310 nan 0.000 0.468 348 K N 1.293 121.847 120.400 0.257 0.000 2.365 348 K HA 0.063 4.391 4.320 0.013 0.000 0.199 348 K C 0.148 176.731 176.600 -0.028 0.000 1.045 348 K CA 1.401 57.715 56.287 0.045 0.000 0.962 348 K CB -0.097 32.144 32.500 -0.432 0.000 0.759 348 K HN 0.471 nan 8.250 nan 0.000 0.469 349 D N 0.768 121.161 120.400 -0.012 0.000 2.349 349 D HA 0.023 4.671 4.640 0.013 0.000 0.214 349 D C -0.307 176.010 176.300 0.029 0.000 1.063 349 D CA 0.234 54.208 54.000 -0.044 0.000 0.847 349 D CB 0.158 40.917 40.800 -0.067 0.000 0.933 349 D HN 0.488 nan 8.370 nan 0.000 0.513 350 N N -1.081 117.680 118.700 0.101 0.000 2.972 350 N HA 0.076 4.824 4.740 0.013 0.000 0.262 350 N C 0.383 175.965 175.510 0.121 0.000 1.478 350 N CA -0.495 52.598 53.050 0.072 0.000 0.841 350 N CB 0.827 39.316 38.487 0.003 0.000 1.512 350 N HN -0.440 nan 8.380 nan 0.000 0.548 351 E N -0.367 119.834 120.200 0.001 0.000 2.478 351 E HA 0.011 4.369 4.350 0.013 0.000 0.198 351 E C -0.325 175.960 176.600 -0.525 0.000 1.046 351 E CA 0.539 56.875 56.400 -0.107 0.000 0.870 351 E CB -0.674 28.983 29.700 -0.073 0.000 0.818 351 E HN 0.600 nan 8.360 nan 0.000 0.527 352 S N 0.020 115.436 115.700 -0.474 0.000 3.533 352 S HA -0.197 4.281 4.470 0.013 0.000 0.347 352 S C 0.409 174.591 174.600 -0.697 0.000 1.101 352 S CA 0.187 57.977 58.200 -0.682 0.000 1.009 352 S CB -1.918 60.684 63.200 -0.997 0.000 0.916 352 S HN 0.317 nan 8.310 nan 0.000 0.496 353 L N 1.673 122.633 121.223 -0.440 0.000 2.477 353 L HA 0.323 4.670 4.340 0.013 0.000 0.272 353 L C 0.742 177.404 176.870 -0.347 0.000 1.157 353 L CA 0.266 54.904 54.840 -0.337 0.000 0.889 353 L CB -0.029 41.903 42.059 -0.211 0.000 1.158 353 L HN 0.449 nan 8.230 nan 0.000 0.473 354 I N 0.342 120.703 120.570 -0.349 0.000 2.750 354 I HA 0.586 4.764 4.170 0.013 0.000 0.308 354 I C 0.509 176.535 176.117 -0.151 0.000 1.016 354 I CA -0.675 60.448 61.300 -0.296 0.000 1.098 354 I CB 1.977 39.740 38.000 -0.396 0.000 1.279 354 I HN 0.557 nan 8.210 nan 0.000 0.454 355 S N 3.051 118.694 115.700 -0.094 0.000 2.614 355 S HA 0.296 4.774 4.470 0.013 0.000 0.265 355 S C 1.026 175.639 174.600 0.022 0.000 1.303 355 S CA -0.362 57.816 58.200 -0.037 0.000 1.000 355 S CB 1.399 64.587 63.200 -0.021 0.000 0.935 355 S HN 0.912 nan 8.310 nan 0.000 0.551 356 R N 0.917 121.440 120.500 0.037 0.000 2.105 356 R HA -0.130 4.218 4.340 0.013 0.000 0.239 356 R C 2.279 178.672 176.300 0.155 0.000 1.135 356 R CA 1.683 57.847 56.100 0.107 0.000 0.967 356 R CB -1.088 29.253 30.300 0.068 0.000 0.861 356 R HN 0.845 nan 8.270 nan 0.000 0.442 357 A N 0.526 123.401 122.820 0.091 0.000 1.877 357 A HA -0.201 4.126 4.320 0.013 0.000 0.216 357 A C 2.039 179.673 177.584 0.083 0.000 1.186 357 A CA 1.512 53.594 52.037 0.076 0.000 0.620 357 A CB -0.481 18.546 19.000 0.046 0.000 0.822 357 A HN 0.523 nan 8.150 nan 0.000 0.443 358 Q N -1.703 118.145 119.800 0.080 0.000 2.170 358 Q HA -0.146 4.202 4.340 0.013 0.000 0.203 358 Q C 1.877 177.987 176.000 0.184 0.000 0.976 358 Q CA 1.469 57.326 55.803 0.090 0.000 0.858 358 Q CB -0.324 28.426 28.738 0.019 0.000 0.907 358 Q HN 0.798 nan 8.270 nan 0.000 0.433 359 F N 1.398 121.374 119.950 0.043 0.000 2.046 359 F HA -0.255 4.280 4.527 0.013 0.000 0.297 359 F C 1.872 177.712 175.800 0.067 0.000 1.123 359 F CA 1.209 59.251 58.000 0.070 0.000 1.199 359 F CB -0.010 39.012 39.000 0.037 0.000 0.972 359 F HN -0.040 nan 8.300 nan 0.000 0.474 360 L N 0.294 121.468 121.223 -0.083 0.000 2.042 360 L HA -0.244 4.103 4.340 0.013 0.000 0.210 360 L C 2.840 179.639 176.870 -0.118 0.000 1.076 360 L CA 1.205 55.934 54.840 -0.185 0.000 0.749 360 L CB -1.547 40.490 42.059 -0.036 0.000 0.893 360 L HN 0.291 nan 8.230 nan 0.000 0.432 361 A N 0.649 123.452 122.820 -0.027 0.000 1.933 361 A HA -0.102 4.226 4.320 0.013 0.000 0.218 361 A C 2.430 180.017 177.584 0.004 0.000 1.175 361 A CA 1.700 53.737 52.037 0.002 0.000 0.628 361 A CB -1.149 17.873 19.000 0.036 0.000 0.814 361 A HN 0.450 nan 8.150 nan 0.000 0.444 362 G N -0.794 108.020 108.800 0.024 0.000 2.422 362 G HA2 -0.058 3.910 3.960 0.013 0.000 0.218 362 G HA3 -0.058 3.910 3.960 0.013 0.000 0.218 362 G C 1.463 176.336 174.900 -0.045 0.000 1.140 362 G CA 1.093 46.224 45.100 0.050 0.000 0.775 362 G HN 0.303 nan 8.290 nan 0.000 0.545 363 V N 0.802 120.614 119.914 -0.170 0.000 2.427 363 V HA -0.108 4.020 4.120 0.013 0.000 0.248 363 V C 2.962 179.004 176.094 -0.087 0.000 1.051 363 V CA 1.470 63.656 62.300 -0.189 0.000 1.048 363 V CB -0.336 31.282 31.823 -0.342 0.000 0.666 363 V HN 0.195 nan 8.190 nan 0.000 0.456 364 R N -0.201 120.258 120.500 -0.068 0.000 2.120 364 R HA 0.026 4.373 4.340 0.013 0.000 0.234 364 R C 1.992 178.282 176.300 -0.018 0.000 1.123 364 R CA 1.343 57.423 56.100 -0.034 0.000 0.975 364 R CB -0.734 29.552 30.300 -0.023 0.000 0.866 364 R HN 0.480 nan 8.270 nan 0.000 0.446 365 I N -0.898 119.667 120.570 -0.007 0.000 2.400 365 I HA -0.035 4.143 4.170 0.013 0.000 0.248 365 I C 2.183 178.304 176.117 0.008 0.000 1.109 365 I CA 1.208 62.514 61.300 0.010 0.000 1.425 365 I CB -0.480 37.544 38.000 0.039 0.000 1.094 365 I HN 0.173 nan 8.210 nan 0.000 0.425 366 G N 0.521 109.321 108.800 0.000 0.000 2.484 366 G HA2 -0.034 3.934 3.960 0.013 0.000 0.218 366 G HA3 -0.034 3.934 3.960 0.013 0.000 0.218 366 G C 0.864 175.770 174.900 0.010 0.000 1.130 366 G CA 0.412 45.514 45.100 0.002 0.000 0.784 366 G HN 0.251 nan 8.290 nan 0.000 0.543 367 V N 1.774 121.678 119.914 -0.016 0.000 2.454 367 V HA 0.212 4.340 4.120 0.013 0.000 0.255 367 V C -1.464 174.623 176.094 -0.012 0.000 1.009 367 V CA -1.039 61.236 62.300 -0.042 0.000 1.149 367 V CB 1.388 33.168 31.823 -0.072 0.000 1.418 367 V HN 0.066 nan 8.190 nan 0.000 0.567 368 P HA -0.126 nan 4.420 nan 0.000 0.225 368 P C 1.037 178.327 177.300 -0.017 0.000 1.148 368 P CA 1.008 64.098 63.100 -0.015 0.000 0.779 368 P CB 0.571 32.252 31.700 -0.031 0.000 0.780 369 Q N -0.487 119.312 119.800 -0.002 0.000 2.425 369 Q HA 0.248 4.596 4.340 0.013 0.000 0.204 369 Q C 0.852 176.845 176.000 -0.012 0.000 0.933 369 Q CA -0.001 55.797 55.803 -0.008 0.000 0.939 369 Q CB -0.375 28.366 28.738 0.006 0.000 1.044 369 Q HN 0.174 nan 8.270 nan 0.000 0.513 370 A N 0.632 123.445 122.820 -0.011 0.000 2.401 370 A HA 0.453 4.781 4.320 0.013 0.000 0.259 370 A C 0.509 178.084 177.584 -0.015 0.000 1.103 370 A CA -0.263 51.767 52.037 -0.013 0.000 0.789 370 A CB 0.243 19.240 19.000 -0.005 0.000 1.035 370 A HN 0.355 nan 8.150 nan 0.000 0.491 371 S N 1.665 117.354 115.700 -0.018 0.000 2.634 371 S HA 0.113 4.591 4.470 0.013 0.000 0.254 371 S C 0.321 174.920 174.600 -0.002 0.000 1.299 371 S CA 0.477 58.669 58.200 -0.014 0.000 0.974 371 S CB 0.162 63.351 63.200 -0.019 0.000 1.001 371 S HN 0.615 nan 8.310 nan 0.000 0.584 372 D N -0.134 120.268 120.400 0.003 0.000 2.149 372 D HA 0.021 4.668 4.640 0.013 0.000 0.201 372 D C 1.751 178.067 176.300 0.026 0.000 0.972 372 D CA 0.491 54.498 54.000 0.012 0.000 0.835 372 D CB -0.444 40.363 40.800 0.012 0.000 0.966 372 D HN 0.325 nan 8.370 nan 0.000 0.476 373 L N 0.925 122.164 121.223 0.026 0.000 2.017 373 L HA -0.041 4.307 4.340 0.013 0.000 0.208 373 L C 2.062 178.972 176.870 0.066 0.000 1.073 373 L CA 1.634 56.501 54.840 0.045 0.000 0.745 373 L CB -0.948 41.132 42.059 0.034 0.000 0.894 373 L HN 0.003 nan 8.230 nan 0.000 0.432 374 A N -0.620 122.223 122.820 0.039 0.000 1.877 374 A HA -0.119 4.209 4.320 0.013 0.000 0.216 374 A C 2.447 180.081 177.584 0.083 0.000 1.186 374 A CA 1.861 53.927 52.037 0.048 0.000 0.620 374 A CB -1.204 17.787 19.000 -0.015 0.000 0.822 374 A HN 0.548 nan 8.150 nan 0.000 0.443 375 A N -0.746 122.103 122.820 0.048 0.000 1.978 375 A HA -0.175 4.153 4.320 0.013 0.000 0.220 375 A C 1.991 179.608 177.584 0.055 0.000 1.170 375 A CA 2.180 54.238 52.037 0.035 0.000 0.636 375 A CB -0.399 18.603 19.000 0.004 0.000 0.810 375 A HN 0.448 nan 8.150 nan 0.000 0.448 376 E N -0.074 120.172 120.200 0.077 0.000 2.112 376 E HA 0.058 4.415 4.350 0.013 0.000 0.190 376 E C 2.198 178.882 176.600 0.139 0.000 0.979 376 E CA 1.153 57.614 56.400 0.101 0.000 0.814 376 E CB -0.570 29.184 29.700 0.091 0.000 0.762 376 E HN 0.458 nan 8.360 nan 0.000 0.460 377 A N 0.219 123.141 122.820 0.169 0.000 1.917 377 A HA -0.189 4.139 4.320 0.013 0.000 0.219 377 A C 2.510 180.137 177.584 0.072 0.000 1.182 377 A CA 1.879 54.043 52.037 0.211 0.000 0.633 377 A CB -0.834 18.427 19.000 0.434 0.000 0.819 377 A HN 0.177 nan 8.150 nan 0.000 0.448 378 V N -0.592 119.397 119.914 0.125 0.000 2.295 378 V HA -0.220 3.908 4.120 0.013 0.000 0.246 378 V C 2.558 178.780 176.094 0.213 0.000 1.049 378 V CA 1.945 64.288 62.300 0.072 0.000 1.024 378 V CB -0.780 31.118 31.823 0.125 0.000 0.648 378 V HN 0.370 nan 8.190 nan 0.000 0.447 379 V N -0.120 119.887 119.914 0.155 0.000 2.407 379 V HA -0.234 3.894 4.120 0.013 0.000 0.248 379 V C 2.241 178.544 176.094 0.347 0.000 1.055 379 V CA 1.860 64.297 62.300 0.229 0.000 1.049 379 V CB -0.477 31.410 31.823 0.107 0.000 0.662 379 V HN 0.449 nan 8.190 nan 0.000 0.455 380 L N -0.888 120.529 121.223 0.323 0.000 2.109 380 L HA -0.126 4.222 4.340 0.013 0.000 0.207 380 L C 2.515 179.610 176.870 0.375 0.000 1.086 380 L CA 1.736 56.862 54.840 0.476 0.000 0.760 380 L CB -0.766 41.492 42.059 0.332 0.000 0.910 380 L HN 0.432 nan 8.230 nan 0.000 0.437 381 H N -0.550 118.528 119.070 0.014 0.000 2.357 381 H HA -0.168 4.395 4.556 0.012 0.000 0.301 381 H C 1.915 177.147 175.328 -0.161 0.000 1.082 381 H CA 1.862 57.779 56.048 -0.218 0.000 1.342 381 H CB 0.023 29.340 29.762 -0.741 0.000 1.389 381 H HN 0.198 nan 8.280 nan 0.000 0.511 382 Y N 0.025 120.393 120.300 0.114 0.000 2.519 382 Y HA 0.083 4.642 4.550 0.014 0.000 0.287 382 Y C 0.957 176.916 175.900 0.099 0.000 1.128 382 Y CA 0.561 58.756 58.100 0.157 0.000 1.282 382 Y CB 0.079 38.744 38.460 0.340 0.000 1.027 382 Y HN 0.055 nan 8.280 nan 0.000 0.551 383 T N 1.459 116.062 114.554 0.082 0.000 2.916 383 T HA -0.062 4.295 4.350 0.013 0.000 0.303 383 T C -0.228 174.195 174.700 -0.463 0.000 1.025 383 T CA -0.189 61.705 62.100 -0.343 0.000 1.142 383 T CB 0.223 68.476 68.868 -1.026 0.000 0.947 383 T HN 0.068 nan 8.240 nan 0.000 0.544 384 D N 1.951 122.022 120.400 -0.548 0.000 2.347 384 D HA 0.106 4.754 4.640 0.013 0.000 0.235 384 D C -0.036 175.970 176.300 -0.490 0.000 1.149 384 D CA -0.702 52.961 54.000 -0.563 0.000 0.850 384 D CB 0.449 40.704 40.800 -0.909 0.000 1.061 384 D HN 0.602 nan 8.370 nan 0.000 0.487 385 W N 3.150 124.356 121.300 -0.157 0.000 2.937 385 W HA 0.083 4.750 4.660 0.011 0.000 0.245 385 W C 1.838 178.248 176.519 -0.183 0.000 1.306 385 W CA -0.348 56.920 57.345 -0.129 0.000 1.470 385 W CB 0.003 29.406 29.460 -0.095 0.000 1.132 385 W HN 0.414 nan 8.180 nan 0.000 0.675 386 L N -1.085 120.052 121.223 -0.143 0.000 2.109 386 L HA -0.093 4.254 4.340 0.013 0.000 0.207 386 L C 0.357 176.858 176.870 -0.616 0.000 1.086 386 L CA 1.454 56.047 54.840 -0.413 0.000 0.760 386 L CB -0.417 41.275 42.059 -0.613 0.000 0.910 386 L HN 0.022 nan 8.230 nan 0.000 0.437 387 H N -2.116 116.875 119.070 -0.132 0.000 2.511 387 H HA 0.176 4.739 4.556 0.012 0.000 0.228 387 H C -1.853 173.357 175.328 -0.197 0.000 1.424 387 H CA -1.271 54.694 56.048 -0.137 0.000 1.321 387 H CB 0.156 29.834 29.762 -0.140 0.000 1.720 387 H HN -0.048 nan 8.280 nan 0.000 0.512 388 P HA -0.136 nan 4.420 nan 0.000 0.225 388 P C 0.631 177.837 177.300 -0.158 0.000 1.148 388 P CA 1.137 64.080 63.100 -0.262 0.000 0.779 388 P CB 0.617 32.179 31.700 -0.229 0.000 0.780 389 E N -0.804 119.357 120.200 -0.065 0.000 2.583 389 E HA 0.052 4.410 4.350 0.013 0.000 0.213 389 E C -0.226 176.352 176.600 -0.037 0.000 0.989 389 E CA -0.276 56.099 56.400 -0.042 0.000 0.991 389 E CB 0.056 29.749 29.700 -0.012 0.000 1.040 389 E HN 0.145 nan 8.360 nan 0.000 0.481 390 D N 1.216 121.599 120.400 -0.027 0.000 2.358 390 D HA 0.003 4.651 4.640 0.013 0.000 0.258 390 D C -1.678 174.592 176.300 -0.051 0.000 1.223 390 D CA -1.743 52.238 54.000 -0.032 0.000 0.886 390 D CB 1.204 41.986 40.800 -0.030 0.000 1.120 390 D HN -0.115 nan 8.370 nan 0.000 0.482 391 P HA -0.081 nan 4.420 nan 0.000 0.221 391 P C 0.992 178.217 177.300 -0.125 0.000 1.150 391 P CA 0.838 63.872 63.100 -0.110 0.000 0.800 391 P CB 0.275 31.906 31.700 -0.114 0.000 0.787 392 T N -1.692 112.810 114.554 -0.087 0.000 2.732 392 T HA -0.158 4.199 4.350 0.013 0.000 0.261 392 T C 1.728 176.395 174.700 -0.055 0.000 1.040 392 T CA 1.482 63.539 62.100 -0.072 0.000 1.145 392 T CB -1.087 67.757 68.868 -0.040 0.000 0.866 392 T HN 0.231 nan 8.240 nan 0.000 0.427 393 H N 1.290 120.298 119.070 -0.103 0.000 2.319 393 H HA 0.013 4.576 4.556 0.012 0.000 0.299 393 H C 1.997 177.224 175.328 -0.168 0.000 1.092 393 H CA 1.465 57.450 56.048 -0.105 0.000 1.302 393 H CB -0.587 29.107 29.762 -0.113 0.000 1.373 393 H HN 0.227 nan 8.280 nan 0.000 0.497 394 L N -0.040 121.010 121.223 -0.288 0.000 2.046 394 L HA -0.175 4.173 4.340 0.013 0.000 0.208 394 L C 2.923 179.624 176.870 -0.280 0.000 1.077 394 L CA 1.467 56.016 54.840 -0.485 0.000 0.747 394 L CB -0.528 41.316 42.059 -0.359 0.000 0.896 394 L HN 0.301 nan 8.230 nan 0.000 0.432 395 R N 0.598 121.013 120.500 -0.141 0.000 2.080 395 R HA -0.207 4.141 4.340 0.013 0.000 0.236 395 R C 1.749 178.102 176.300 0.088 0.000 1.137 395 R CA 2.337 58.451 56.100 0.023 0.000 0.943 395 R CB -0.417 29.791 30.300 -0.154 0.000 0.846 395 R HN 0.366 nan 8.270 nan 0.000 0.431 396 D N 0.125 120.511 120.400 -0.024 0.000 2.178 396 D HA -0.074 4.573 4.640 0.013 0.000 0.202 396 D C 1.749 178.039 176.300 -0.016 0.000 0.974 396 D CA 1.282 55.300 54.000 0.031 0.000 0.841 396 D CB -0.239 40.572 40.800 0.019 0.000 0.953 396 D HN 0.372 nan 8.370 nan 0.000 0.478 397 A N 0.866 123.549 122.820 -0.229 0.000 1.902 397 A HA -0.188 4.140 4.320 0.013 0.000 0.217 397 A C 2.167 179.801 177.584 0.083 0.000 1.181 397 A CA 1.662 53.620 52.037 -0.130 0.000 0.623 397 A CB -0.506 18.212 19.000 -0.469 0.000 0.818 397 A HN 0.154 nan 8.150 nan 0.000 0.443 398 M N -0.011 119.689 119.600 0.167 0.000 2.117 398 M HA -0.104 4.384 4.480 0.013 0.000 0.262 398 M C 2.325 178.669 176.300 0.073 0.000 1.065 398 M CA 2.198 57.655 55.300 0.262 0.000 1.114 398 M CB -0.540 32.287 32.600 0.378 0.000 1.361 398 M HN 0.430 nan 8.290 nan 0.000 0.408 399 S N -0.220 115.535 115.700 0.091 0.000 2.359 399 S HA -0.131 4.346 4.470 0.013 0.000 0.224 399 S C 2.085 176.750 174.600 0.107 0.000 1.035 399 S CA 1.693 59.962 58.200 0.116 0.000 1.018 399 S CB -0.691 62.648 63.200 0.231 0.000 0.876 399 S HN 0.631 nan 8.310 nan 0.000 0.448 400 A N 0.866 123.762 122.820 0.127 0.000 1.940 400 A HA -0.006 4.322 4.320 0.013 0.000 0.219 400 A C 2.381 180.015 177.584 0.083 0.000 1.176 400 A CA 1.799 53.944 52.037 0.180 0.000 0.631 400 A CB -1.150 18.049 19.000 0.331 0.000 0.814 400 A HN 0.477 nan 8.150 nan 0.000 0.446 401 V N -0.389 119.413 119.914 -0.187 0.000 2.255 401 V HA -0.273 3.855 4.120 0.013 0.000 0.247 401 V C 2.592 178.601 176.094 -0.141 0.000 1.051 401 V CA 2.251 64.356 62.300 -0.324 0.000 1.018 401 V CB -0.799 30.827 31.823 -0.328 0.000 0.641 401 V HN 0.398 nan 8.190 nan 0.000 0.445 402 V N 0.574 120.433 119.914 -0.091 0.000 2.358 402 V HA -0.134 3.993 4.120 0.013 0.000 0.246 402 V C 2.615 178.606 176.094 -0.172 0.000 1.047 402 V CA 2.076 64.312 62.300 -0.106 0.000 1.035 402 V CB -1.416 30.402 31.823 -0.008 0.000 0.658 402 V HN 0.611 nan 8.190 nan 0.000 0.452 403 G N -0.089 108.682 108.800 -0.048 0.000 2.446 403 G HA2 -0.258 3.710 3.960 0.013 0.000 0.217 403 G HA3 -0.258 3.710 3.960 0.013 0.000 0.217 403 G C 1.233 176.066 174.900 -0.112 0.000 1.168 403 G CA 1.158 46.244 45.100 -0.022 0.000 0.771 403 G HN 0.504 nan 8.290 nan 0.000 0.551 404 D N -0.412 119.937 120.400 -0.086 0.000 2.117 404 D HA -0.066 4.582 4.640 0.013 0.000 0.198 404 D C 2.119 178.101 176.300 -0.531 0.000 0.982 404 D CA 1.204 55.120 54.000 -0.139 0.000 0.828 404 D CB -0.477 40.427 40.800 0.174 0.000 0.967 404 D HN 0.398 nan 8.370 nan 0.000 0.464 405 H N 0.891 119.377 119.070 -0.973 0.000 2.353 405 H HA 0.026 4.590 4.556 0.012 0.000 0.300 405 H C 1.425 176.328 175.328 -0.708 0.000 1.090 405 H CA 1.630 56.898 56.048 -1.300 0.000 1.327 405 H CB 0.064 29.053 29.762 -1.288 0.000 1.383 405 H HN 0.008 nan 8.280 nan 0.000 0.508 406 N N -0.893 117.353 118.700 -0.758 0.000 2.415 406 N HA 0.019 4.766 4.740 0.013 0.000 0.174 406 N C 1.210 176.479 175.510 -0.401 0.000 1.048 406 N CA 0.992 53.538 53.050 -0.840 0.000 0.895 406 N CB 1.147 38.544 38.487 -1.816 0.000 1.036 406 N HN 0.257 nan 8.380 nan 0.000 0.449 407 V N -0.326 119.407 119.914 -0.302 0.000 3.449 407 V HA 0.064 4.192 4.120 0.013 0.000 0.208 407 V C 2.160 178.214 176.094 -0.067 0.000 1.269 407 V CA 0.174 62.434 62.300 -0.066 0.000 1.301 407 V CB -0.190 31.664 31.823 0.053 0.000 1.306 407 V HN -0.188 nan 8.190 nan 0.000 0.531 408 V N 0.141 120.016 119.914 -0.064 0.000 2.332 408 V HA -0.298 3.830 4.120 0.013 0.000 0.248 408 V C 2.451 178.511 176.094 -0.056 0.000 1.055 408 V CA 2.604 64.881 62.300 -0.039 0.000 1.038 408 V CB -0.694 31.135 31.823 0.011 0.000 0.651 408 V HN 0.690 nan 8.190 nan 0.000 0.450 409 c N -0.955 117.598 118.600 -0.079 0.000 2.505 409 c HA 0.058 4.636 4.570 0.013 0.000 0.279 409 c C 0.545 174.603 174.090 -0.054 0.000 1.316 409 c CA 0.591 56.904 56.329 -0.026 0.000 1.720 409 c CB -1.630 40.902 42.510 0.038 0.000 2.050 409 c HN 0.445 nan 8.230 nan 0.000 0.493 410 P HA -0.116 nan 4.420 nan 0.000 0.216 410 P C 1.787 179.026 177.300 -0.103 0.000 1.157 410 P CA 1.538 64.564 63.100 -0.123 0.000 0.880 410 P CB -0.155 31.440 31.700 -0.175 0.000 0.791 411 V N -0.086 119.771 119.914 -0.096 0.000 2.287 411 V HA -0.292 3.835 4.120 0.013 0.000 0.248 411 V C 2.421 178.423 176.094 -0.152 0.000 1.053 411 V CA 2.395 64.624 62.300 -0.118 0.000 1.027 411 V CB -1.674 30.077 31.823 -0.119 0.000 0.646 411 V HN 0.116 nan 8.190 nan 0.000 0.447 412 A N -0.637 122.110 122.820 -0.122 0.000 1.898 412 A HA -0.293 4.035 4.320 0.013 0.000 0.216 412 A C 2.189 179.752 177.584 -0.034 0.000 1.181 412 A CA 2.080 54.055 52.037 -0.103 0.000 0.620 412 A CB -0.540 18.445 19.000 -0.024 0.000 0.819 412 A HN 0.610 nan 8.150 nan 0.000 0.442 413 Q N -0.590 119.198 119.800 -0.020 0.000 2.030 413 Q HA -0.199 4.149 4.340 0.013 0.000 0.204 413 Q C 1.892 177.875 176.000 -0.028 0.000 0.986 413 Q CA 2.035 57.836 55.803 -0.004 0.000 0.843 413 Q CB -0.460 28.269 28.738 -0.015 0.000 0.904 413 Q HN 0.487 nan 8.270 nan 0.000 0.420 414 L N 0.440 121.618 121.223 -0.075 0.000 1.970 414 L HA -0.153 4.195 4.340 0.013 0.000 0.212 414 L C 2.300 179.105 176.870 -0.108 0.000 1.071 414 L CA 2.504 57.281 54.840 -0.106 0.000 0.751 414 L CB -1.266 40.715 42.059 -0.131 0.000 0.889 414 L HN 0.349 nan 8.230 nan 0.000 0.432 415 A N -0.600 122.129 122.820 -0.152 0.000 1.892 415 A HA -0.203 4.125 4.320 0.013 0.000 0.218 415 A C 2.348 179.991 177.584 0.099 0.000 1.188 415 A CA 2.079 54.007 52.037 -0.181 0.000 0.631 415 A CB -1.742 16.867 19.000 -0.651 0.000 0.822 415 A HN 0.589 nan 8.150 nan 0.000 0.447 416 G N -0.859 108.057 108.800 0.193 0.000 2.421 416 G HA2 -0.223 3.745 3.960 0.013 0.000 0.216 416 G HA3 -0.223 3.745 3.960 0.013 0.000 0.216 416 G C 1.677 176.653 174.900 0.127 0.000 1.171 416 G CA 0.923 46.171 45.100 0.246 0.000 0.775 416 G HN 0.410 nan 8.290 nan 0.000 0.543 417 R N -0.141 120.401 120.500 0.069 0.000 2.070 417 R HA 0.040 4.388 4.340 0.013 0.000 0.233 417 R C 2.564 178.905 176.300 0.068 0.000 1.137 417 R CA 0.525 56.664 56.100 0.065 0.000 0.945 417 R CB -1.391 28.934 30.300 0.041 0.000 0.845 417 R HN 0.314 nan 8.270 nan 0.000 0.430 418 L N 0.731 121.928 121.223 -0.043 0.000 2.012 418 L HA -0.117 4.231 4.340 0.013 0.000 0.210 418 L C 2.439 179.345 176.870 0.060 0.000 1.073 418 L CA 2.145 56.920 54.840 -0.109 0.000 0.748 418 L CB -1.335 40.591 42.059 -0.222 0.000 0.891 418 L HN 0.199 nan 8.230 nan 0.000 0.431 419 A N -1.004 121.868 122.820 0.086 0.000 1.933 419 A HA -0.102 4.226 4.320 0.013 0.000 0.218 419 A C 2.394 180.031 177.584 0.088 0.000 1.175 419 A CA 1.609 53.707 52.037 0.102 0.000 0.628 419 A CB -0.846 18.246 19.000 0.154 0.000 0.814 419 A HN 0.397 nan 8.150 nan 0.000 0.444 420 A N -1.430 121.447 122.820 0.095 0.000 2.121 420 A HA -0.052 4.275 4.320 0.013 0.000 0.218 420 A C 1.664 179.307 177.584 0.098 0.000 1.154 420 A CA 1.422 53.508 52.037 0.082 0.000 0.679 420 A CB -0.223 18.824 19.000 0.079 0.000 0.795 420 A HN 0.611 nan 8.150 nan 0.000 0.458 421 Q N -2.164 117.727 119.800 0.151 0.000 2.129 421 Q HA 0.396 4.744 4.340 0.013 0.000 0.274 421 Q C 0.760 176.882 176.000 0.203 0.000 0.854 421 Q CA 0.332 56.246 55.803 0.186 0.000 1.123 421 Q CB 0.848 29.760 28.738 0.289 0.000 1.226 421 Q HN 0.699 nan 8.270 nan 0.000 0.454 422 G N 0.192 109.079 108.800 0.146 0.000 2.307 422 G HA2 -0.248 3.720 3.960 0.013 0.000 0.210 422 G HA3 -0.248 3.720 3.960 0.013 0.000 0.210 422 G C 0.360 175.336 174.900 0.126 0.000 1.005 422 G CA -0.308 44.864 45.100 0.119 0.000 0.634 422 G HN 0.518 nan 8.290 nan 0.000 0.496 423 A N 0.482 123.402 122.820 0.166 0.000 2.407 423 A HA 0.693 5.021 4.320 0.013 0.000 0.248 423 A C 0.607 178.238 177.584 0.077 0.000 1.082 423 A CA 0.742 52.858 52.037 0.132 0.000 0.785 423 A CB 0.284 19.353 19.000 0.114 0.000 1.020 423 A HN 0.838 nan 8.150 nan 0.000 0.489 424 R N 1.442 121.986 120.500 0.072 0.000 2.298 424 R HA 0.491 4.838 4.340 0.013 0.000 0.310 424 R C -1.275 175.033 176.300 0.013 0.000 1.068 424 R CA -0.010 56.099 56.100 0.015 0.000 0.957 424 R CB 0.474 30.808 30.300 0.056 0.000 1.003 424 R HN 0.467 nan 8.270 nan 0.000 0.454 425 V N 5.543 125.388 119.914 -0.115 0.000 2.656 425 V HA 0.430 4.558 4.120 0.013 0.000 0.307 425 V C -1.229 174.718 176.094 -0.246 0.000 1.051 425 V CA -0.793 61.467 62.300 -0.067 0.000 0.893 425 V CB 1.634 33.478 31.823 0.034 0.000 0.999 425 V HN 0.674 nan 8.190 nan 0.000 0.426 426 Y N 1.927 122.209 120.300 -0.031 0.000 2.425 426 Y HA 0.818 5.375 4.550 0.012 0.000 0.344 426 Y C 0.257 176.257 175.900 0.166 0.000 0.969 426 Y CA -0.602 57.490 58.100 -0.013 0.000 1.052 426 Y CB 2.340 40.459 38.460 -0.569 0.000 1.215 426 Y HN 0.783 nan 8.280 nan 0.000 0.451 427 A N 2.955 126.160 122.820 0.642 0.000 2.401 427 A HA 0.862 5.190 4.320 0.013 0.000 0.310 427 A C -1.903 176.059 177.584 0.631 0.000 1.075 427 A CA -0.732 51.556 52.037 0.419 0.000 0.746 427 A CB 1.022 20.058 19.000 0.060 0.000 1.277 427 A HN 0.757 nan 8.150 nan 0.000 0.425 428 Y N -0.382 120.149 120.300 0.386 0.000 2.588 428 Y HA 0.797 5.353 4.550 0.011 0.000 0.343 428 Y C -1.145 174.939 175.900 0.307 0.000 1.065 428 Y CA -1.536 56.739 58.100 0.292 0.000 1.038 428 Y CB 1.353 39.973 38.460 0.267 0.000 1.297 428 Y HN 0.683 nan 8.280 nan 0.000 0.467 429 I N 3.489 124.343 120.570 0.474 0.000 2.406 429 I HA 0.450 4.628 4.170 0.013 0.000 0.290 429 I C -1.725 174.721 176.117 0.548 0.000 0.999 429 I CA -1.031 60.517 61.300 0.413 0.000 1.124 429 I CB 0.976 39.186 38.000 0.349 0.000 1.289 429 I HN 0.739 nan 8.210 nan 0.000 0.441 430 F N 7.381 127.626 119.950 0.493 0.000 2.404 430 F HA 0.374 4.909 4.527 0.014 0.000 0.358 430 F C 0.672 176.636 175.800 0.273 0.000 1.120 430 F CA 0.108 58.349 58.000 0.402 0.000 1.144 430 F CB 0.796 40.066 39.000 0.449 0.000 1.133 430 F HN 0.560 nan 8.300 nan 0.000 0.495 431 E N 2.968 123.065 120.200 -0.172 0.000 2.562 431 E HA -0.025 4.333 4.350 0.013 0.000 0.214 431 E C -0.712 175.769 176.600 -0.197 0.000 0.979 431 E CA -0.158 56.198 56.400 -0.074 0.000 1.002 431 E CB 0.285 29.959 29.700 -0.043 0.000 1.048 431 E HN 0.557 nan 8.360 nan 0.000 0.488 432 H N 1.326 120.015 119.070 -0.634 0.000 2.562 432 H HA 0.228 4.791 4.556 0.012 0.000 0.314 432 H C -0.399 174.894 175.328 -0.059 0.000 1.079 432 H CA -0.418 55.339 56.048 -0.485 0.000 1.349 432 H CB 0.570 29.798 29.762 -0.890 0.000 1.432 432 H HN -0.154 nan 8.280 nan 0.000 0.479 433 R N 4.315 124.422 120.500 -0.654 0.000 2.229 433 R HA 0.507 4.854 4.340 0.013 0.000 0.328 433 R C -0.618 175.421 176.300 -0.435 0.000 1.009 433 R CA -0.701 55.207 56.100 -0.320 0.000 0.864 433 R CB 0.447 30.649 30.300 -0.163 0.000 1.085 433 R HN 0.820 nan 8.270 nan 0.000 0.453 434 A N 3.031 125.912 122.820 0.102 0.000 2.587 434 A HA -0.031 4.296 4.320 0.013 0.000 0.235 434 A C 1.260 178.946 177.584 0.170 0.000 1.044 434 A CA 0.626 52.913 52.037 0.417 0.000 0.754 434 A CB 0.230 19.558 19.000 0.547 0.000 0.968 434 A HN 1.001 nan 8.150 nan 0.000 0.509 435 S N 1.092 116.927 115.700 0.226 0.000 2.507 435 S HA -0.111 4.367 4.470 0.013 0.000 0.235 435 S C 1.204 175.792 174.600 -0.019 0.000 0.988 435 S CA 1.336 59.587 58.200 0.085 0.000 0.944 435 S CB -0.607 62.662 63.200 0.115 0.000 0.762 435 S HN 1.264 nan 8.310 nan 0.000 0.526 436 T N -1.373 113.139 114.554 -0.069 0.000 3.054 436 T HA 0.387 4.745 4.350 0.013 0.000 0.255 436 T C 0.302 174.924 174.700 -0.130 0.000 1.035 436 T CA -0.596 61.393 62.100 -0.186 0.000 0.941 436 T CB -0.395 68.211 68.868 -0.437 0.000 1.026 436 T HN 0.229 nan 8.240 nan 0.000 0.533 437 L N 3.929 125.119 121.223 -0.055 0.000 2.514 437 L HA 0.253 4.601 4.340 0.013 0.000 0.280 437 L C 1.590 178.384 176.870 -0.125 0.000 1.223 437 L CA 0.986 55.782 54.840 -0.074 0.000 0.864 437 L CB 0.878 42.909 42.059 -0.047 0.000 1.118 437 L HN 0.444 nan 8.230 nan 0.000 0.494 438 T N -0.941 113.481 114.554 -0.219 0.000 3.040 438 T HA 0.132 4.489 4.350 0.013 0.000 0.250 438 T C 0.296 174.914 174.700 -0.137 0.000 1.058 438 T CA -0.466 61.495 62.100 -0.233 0.000 0.988 438 T CB -0.304 68.298 68.868 -0.444 0.000 0.993 438 T HN 0.405 nan 8.240 nan 0.000 0.519 439 W N 3.412 124.656 121.300 -0.093 0.000 2.184 439 W HA 0.435 5.103 4.660 0.014 0.000 0.338 439 W C -2.043 174.336 176.519 -0.234 0.000 1.257 439 W CA -2.219 55.023 57.345 -0.172 0.000 1.243 439 W CB 0.257 29.500 29.460 -0.361 0.000 1.122 439 W HN -0.024 nan 8.180 nan 0.000 0.585 440 P HA 0.028 nan 4.420 nan 0.000 0.272 440 P C 0.585 177.804 177.300 -0.135 0.000 1.240 440 P CA -0.065 62.981 63.100 -0.091 0.000 0.791 440 P CB 0.910 32.565 31.700 -0.075 0.000 0.978 441 L N 0.264 121.471 121.223 -0.027 0.000 2.079 441 L HA -0.152 4.196 4.340 0.013 0.000 0.210 441 L C 2.597 179.494 176.870 0.044 0.000 1.081 441 L CA 1.519 56.364 54.840 0.007 0.000 0.752 441 L CB -0.837 41.255 42.059 0.054 0.000 0.896 441 L HN 0.616 nan 8.230 nan 0.000 0.433 442 W N -0.166 121.161 121.300 0.045 0.000 2.364 442 W HA -0.222 4.445 4.660 0.012 0.000 0.281 442 W C 1.682 178.240 176.519 0.064 0.000 1.219 442 W CA 0.725 58.103 57.345 0.055 0.000 1.220 442 W CB -0.785 28.713 29.460 0.063 0.000 1.127 442 W HN 0.187 nan 8.180 nan 0.000 0.556 443 M N 1.327 120.610 119.600 -0.529 0.000 2.618 443 M HA 0.144 4.631 4.480 0.013 0.000 0.240 443 M C 1.847 178.027 176.300 -0.199 0.000 1.123 443 M CA 1.243 56.163 55.300 -0.633 0.000 1.060 443 M CB -0.624 31.429 32.600 -0.911 0.000 1.535 443 M HN 0.223 nan 8.290 nan 0.000 0.507 444 G N 1.023 109.778 108.800 -0.075 0.000 2.602 444 G HA2 -0.298 3.670 3.960 0.013 0.000 0.310 444 G HA3 -0.298 3.670 3.960 0.013 0.000 0.310 444 G C -0.004 174.901 174.900 0.010 0.000 1.183 444 G CA 0.068 45.174 45.100 0.010 0.000 0.979 444 G HN 0.283 nan 8.290 nan 0.000 0.545 445 V N 3.350 123.314 119.914 0.083 0.000 2.266 445 V HA 0.482 4.610 4.120 0.013 0.000 0.271 445 V C -1.986 174.244 176.094 0.226 0.000 1.032 445 V CA -0.861 61.541 62.300 0.171 0.000 0.806 445 V CB 1.350 33.325 31.823 0.254 0.000 1.052 445 V HN 0.510 nan 8.190 nan 0.000 0.449 446 P HA 0.172 nan 4.420 nan 0.000 0.274 446 P C -0.170 177.419 177.300 0.483 0.000 1.246 446 P CA -0.446 62.801 63.100 0.245 0.000 0.795 446 P CB 0.379 32.069 31.700 -0.017 0.000 1.006 447 H N 0.495 119.754 119.070 0.316 0.000 3.192 447 H HA 0.216 4.779 4.556 0.012 0.000 0.295 447 H C 1.584 177.020 175.328 0.180 0.000 0.943 447 H CA 2.408 58.596 56.048 0.233 0.000 1.416 447 H CB -0.739 29.129 29.762 0.178 0.000 1.434 447 H HN 0.738 nan 8.280 nan 0.000 0.565 448 G N 3.517 112.245 108.800 -0.120 0.000 2.234 448 G HA2 -0.320 3.648 3.960 0.013 0.000 0.235 448 G HA3 -0.320 3.648 3.960 0.013 0.000 0.235 448 G C 0.609 175.490 174.900 -0.033 0.000 0.997 448 G CA 0.347 45.355 45.100 -0.153 0.000 0.623 448 G HN 0.639 nan 8.290 nan 0.000 0.514 449 Y N 1.695 122.172 120.300 0.295 0.000 2.470 449 Y HA 0.259 4.817 4.550 0.012 0.000 0.302 449 Y C 2.285 178.325 175.900 0.234 0.000 1.194 449 Y CA 0.953 59.246 58.100 0.322 0.000 1.271 449 Y CB 0.388 39.060 38.460 0.354 0.000 1.092 449 Y HN 0.515 nan 8.280 nan 0.000 0.513 450 E N 0.075 120.270 120.200 -0.009 0.000 2.364 450 E HA -0.045 4.313 4.350 0.013 0.000 0.196 450 E C 1.621 178.122 176.600 -0.166 0.000 0.990 450 E CA 0.593 56.664 56.400 -0.547 0.000 0.886 450 E CB -0.413 28.619 29.700 -1.114 0.000 0.866 450 E HN 0.536 nan 8.360 nan 0.000 0.493 451 I N 2.937 123.503 120.570 -0.006 0.000 2.208 451 I HA -0.305 3.873 4.170 0.013 0.000 0.245 451 I C 2.673 178.787 176.117 -0.005 0.000 1.097 451 I CA 2.136 63.470 61.300 0.057 0.000 1.363 451 I CB -0.488 37.614 38.000 0.170 0.000 1.051 451 I HN 0.225 nan 8.210 nan 0.000 0.413 452 E N 0.898 121.040 120.200 -0.098 0.000 2.265 452 E HA -0.225 4.132 4.350 0.013 0.000 0.196 452 E C 1.982 178.333 176.600 -0.414 0.000 0.996 452 E CA 1.400 57.642 56.400 -0.264 0.000 0.832 452 E CB -0.443 29.084 29.700 -0.289 0.000 0.756 452 E HN 0.444 nan 8.360 nan 0.000 0.491 453 F N 1.404 121.242 119.950 -0.186 0.000 2.179 453 F HA -0.014 4.523 4.527 0.016 0.000 0.292 453 F C 2.363 177.931 175.800 -0.387 0.000 1.089 453 F CA 0.512 58.350 58.000 -0.269 0.000 1.295 453 F CB -0.136 38.800 39.000 -0.107 0.000 1.041 453 F HN -0.057 nan 8.300 nan 0.000 0.487 454 I N -0.693 119.709 120.570 -0.281 0.000 2.208 454 I HA -0.309 3.869 4.170 0.013 0.000 0.245 454 I C 2.114 177.979 176.117 -0.421 0.000 1.097 454 I CA 1.764 62.740 61.300 -0.540 0.000 1.363 454 I CB -1.584 35.979 38.000 -0.728 0.000 1.051 454 I HN 0.088 nan 8.210 nan 0.000 0.413 455 F N 0.955 120.720 119.950 -0.308 0.000 2.748 455 F HA 0.191 4.726 4.527 0.013 0.000 0.299 455 F C 1.952 177.608 175.800 -0.240 0.000 1.154 455 F CA 0.885 58.743 58.000 -0.237 0.000 1.446 455 F CB -0.258 38.581 39.000 -0.269 0.000 1.112 455 F HN 0.314 nan 8.300 nan 0.000 0.584 456 G N -0.220 108.413 108.800 -0.278 0.000 2.143 456 G HA2 -0.323 3.644 3.960 0.013 0.000 0.249 456 G HA3 -0.323 3.644 3.960 0.013 0.000 0.249 456 G C 1.049 175.339 174.900 -1.017 0.000 0.981 456 G CA 0.409 45.222 45.100 -0.478 0.000 0.665 456 G HN 0.286 nan 8.290 nan 0.000 0.528 457 L N 0.859 121.511 121.223 -0.951 0.000 2.051 457 L HA -0.053 4.295 4.340 0.013 0.000 0.214 457 L C 0.507 176.811 176.870 -0.943 0.000 1.076 457 L CA 2.978 57.206 54.840 -1.020 0.000 0.758 457 L CB -1.319 40.412 42.059 -0.546 0.000 0.890 457 L HN 0.229 nan 8.230 nan 0.000 0.433 458 P HA -0.175 nan 4.420 nan 0.000 0.222 458 P C 1.625 178.660 177.300 -0.440 0.000 1.142 458 P CA 0.969 63.454 63.100 -1.025 0.000 0.788 458 P CB 0.016 31.124 31.700 -0.987 0.000 0.767 459 L N -1.288 119.628 121.223 -0.512 0.000 2.376 459 L HA -0.008 4.339 4.340 0.013 0.000 0.219 459 L C 0.934 177.722 176.870 -0.136 0.000 1.133 459 L CA 1.083 55.755 54.840 -0.281 0.000 0.816 459 L CB -1.116 40.794 42.059 -0.249 0.000 0.933 459 L HN -0.055 nan 8.230 nan 0.000 0.449 460 D N 0.767 121.050 120.400 -0.195 0.000 2.344 460 D HA 0.048 4.696 4.640 0.013 0.000 0.253 460 D C -1.537 174.781 176.300 0.029 0.000 1.255 460 D CA -1.939 52.082 54.000 0.036 0.000 0.894 460 D CB 1.308 42.168 40.800 0.099 0.000 1.067 460 D HN 0.053 nan 8.370 nan 0.000 0.492 461 P HA -0.101 nan 4.420 nan 0.000 0.226 461 P C 1.007 178.324 177.300 0.028 0.000 1.153 461 P CA 0.497 63.617 63.100 0.033 0.000 0.777 461 P CB 0.108 31.824 31.700 0.027 0.000 0.794 462 S N -1.046 114.670 115.700 0.027 0.000 2.607 462 S HA 0.061 4.539 4.470 0.013 0.000 0.224 462 S C 1.594 176.189 174.600 -0.008 0.000 0.969 462 S CA 0.083 58.287 58.200 0.007 0.000 0.927 462 S CB -1.145 62.058 63.200 0.005 0.000 0.772 462 S HN 0.099 nan 8.310 nan 0.000 0.533 463 L N 0.386 121.618 121.223 0.014 0.000 2.585 463 L HA 0.297 4.645 4.340 0.013 0.000 0.226 463 L C 0.270 177.065 176.870 -0.125 0.000 1.113 463 L CA -0.102 54.725 54.840 -0.021 0.000 0.876 463 L CB -0.419 41.691 42.059 0.085 0.000 1.072 463 L HN 0.230 nan 8.230 nan 0.000 0.468 464 N N -1.848 116.819 118.700 -0.054 0.000 2.901 464 N HA -0.206 4.542 4.740 0.013 0.000 0.248 464 N C -0.411 175.025 175.510 -0.123 0.000 1.044 464 N CA 0.767 53.757 53.050 -0.100 0.000 0.847 464 N CB -1.749 36.648 38.487 -0.150 0.000 1.127 464 N HN 0.262 nan 8.380 nan 0.000 0.562 465 Y N 1.158 121.440 120.300 -0.030 0.000 2.357 465 Y HA 0.204 4.762 4.550 0.013 0.000 0.340 465 Y C 1.975 177.895 175.900 0.034 0.000 1.260 465 Y CA 0.298 58.407 58.100 0.014 0.000 1.425 465 Y CB 0.406 38.860 38.460 -0.009 0.000 1.326 465 Y HN 0.071 nan 8.280 nan 0.000 0.580 466 T N -2.762 111.941 114.554 0.248 0.000 2.813 466 T HA 0.031 4.389 4.350 0.013 0.000 0.297 466 T C 1.145 175.927 174.700 0.136 0.000 1.036 466 T CA -0.304 61.888 62.100 0.155 0.000 1.044 466 T CB 0.880 69.832 68.868 0.141 0.000 0.993 466 T HN 0.731 nan 8.240 nan 0.000 0.535 467 T N 1.247 115.852 114.554 0.085 0.000 2.684 467 T HA -0.109 4.249 4.350 0.013 0.000 0.267 467 T C 1.849 176.587 174.700 0.064 0.000 1.036 467 T CA 1.866 64.002 62.100 0.061 0.000 1.148 467 T CB -0.520 68.372 68.868 0.040 0.000 0.863 467 T HN 0.757 nan 8.240 nan 0.000 0.436 468 E N 1.225 121.461 120.200 0.061 0.000 2.114 468 E HA -0.150 4.208 4.350 0.013 0.000 0.199 468 E C 2.194 178.845 176.600 0.085 0.000 1.008 468 E CA 1.339 57.766 56.400 0.044 0.000 0.810 468 E CB -0.258 29.448 29.700 0.009 0.000 0.739 468 E HN 0.603 nan 8.360 nan 0.000 0.456 469 E N -0.072 120.218 120.200 0.150 0.000 2.106 469 E HA -0.142 4.215 4.350 0.013 0.000 0.192 469 E C 2.165 178.890 176.600 0.209 0.000 0.984 469 E CA 0.597 57.173 56.400 0.293 0.000 0.806 469 E CB -0.066 29.925 29.700 0.485 0.000 0.750 469 E HN 0.116 nan 8.360 nan 0.000 0.458 470 R N 1.010 121.563 120.500 0.089 0.000 2.083 470 R HA -0.169 4.179 4.340 0.013 0.000 0.237 470 R C 2.245 178.547 176.300 0.004 0.000 1.137 470 R CA 1.361 57.456 56.100 -0.008 0.000 0.951 470 R CB -0.263 30.032 30.300 -0.008 0.000 0.851 470 R HN 0.129 nan 8.270 nan 0.000 0.434 471 I N 0.252 120.848 120.570 0.043 0.000 2.226 471 I HA -0.281 3.897 4.170 0.013 0.000 0.245 471 I C 2.240 178.395 176.117 0.063 0.000 1.100 471 I CA 1.234 62.557 61.300 0.038 0.000 1.374 471 I CB -0.347 37.678 38.000 0.042 0.000 1.057 471 I HN 0.202 nan 8.210 nan 0.000 0.413 472 F N 1.714 121.632 119.950 -0.053 0.000 2.146 472 F HA -0.109 4.425 4.527 0.012 0.000 0.298 472 F C 2.411 178.205 175.800 -0.009 0.000 1.096 472 F CA 1.059 59.017 58.000 -0.069 0.000 1.275 472 F CB -0.536 38.362 39.000 -0.170 0.000 1.008 472 F HN -0.007 nan 8.300 nan 0.000 0.480 473 A N 0.377 123.112 122.820 -0.141 0.000 1.883 473 A HA -0.263 4.064 4.320 0.013 0.000 0.217 473 A C 2.187 179.623 177.584 -0.247 0.000 1.186 473 A CA 1.987 53.890 52.037 -0.223 0.000 0.624 473 A CB -1.019 17.866 19.000 -0.190 0.000 0.822 473 A HN 0.608 nan 8.150 nan 0.000 0.444 474 Q N -1.184 118.515 119.800 -0.168 0.000 2.135 474 Q HA -0.188 4.160 4.340 0.013 0.000 0.204 474 Q C 2.385 178.279 176.000 -0.177 0.000 0.981 474 Q CA 1.527 57.245 55.803 -0.142 0.000 0.856 474 Q CB -0.165 28.520 28.738 -0.088 0.000 0.902 474 Q HN 0.646 nan 8.270 nan 0.000 0.425 475 R N 0.370 120.746 120.500 -0.207 0.000 2.075 475 R HA -0.088 4.259 4.340 0.013 0.000 0.232 475 R C 2.171 178.209 176.300 -0.436 0.000 1.126 475 R CA 0.998 56.914 56.100 -0.307 0.000 0.963 475 R CB -0.072 30.117 30.300 -0.185 0.000 0.858 475 R HN 0.238 nan 8.270 nan 0.000 0.435 476 L N -0.256 120.780 121.223 -0.312 0.000 2.217 476 L HA -0.113 4.235 4.340 0.013 0.000 0.211 476 L C 2.355 179.189 176.870 -0.059 0.000 1.107 476 L CA 0.962 55.726 54.840 -0.127 0.000 0.783 476 L CB -0.205 41.633 42.059 -0.369 0.000 0.919 476 L HN 0.268 nan 8.230 nan 0.000 0.442 477 M N -0.884 118.621 119.600 -0.157 0.000 2.200 477 M HA -0.116 4.371 4.480 0.013 0.000 0.265 477 M C 2.249 178.544 176.300 -0.009 0.000 1.066 477 M CA 1.314 56.555 55.300 -0.098 0.000 1.127 477 M CB -0.182 32.338 32.600 -0.133 0.000 1.379 477 M HN 0.031 nan 8.290 nan 0.000 0.420 478 K N 0.087 120.441 120.400 -0.076 0.000 2.032 478 K HA -0.174 4.154 4.320 0.013 0.000 0.209 478 K C 1.908 178.546 176.600 0.064 0.000 1.048 478 K CA 1.819 58.068 56.287 -0.063 0.000 0.927 478 K CB -0.506 31.889 32.500 -0.175 0.000 0.712 478 K HN 0.327 nan 8.250 nan 0.000 0.441 479 Y N -0.266 120.148 120.300 0.189 0.000 2.145 479 Y HA -0.202 4.357 4.550 0.015 0.000 0.286 479 Y C 2.446 178.470 175.900 0.205 0.000 1.145 479 Y CA 0.680 58.921 58.100 0.236 0.000 1.148 479 Y CB -0.853 37.882 38.460 0.458 0.000 0.981 479 Y HN 0.224 nan 8.280 nan 0.000 0.507 480 W N 0.689 122.061 121.300 0.121 0.000 2.338 480 W HA -0.242 4.425 4.660 0.012 0.000 0.304 480 W C 2.463 178.976 176.519 -0.010 0.000 1.212 480 W CA 2.305 59.655 57.345 0.008 0.000 1.264 480 W CB -0.567 28.827 29.460 -0.110 0.000 1.142 480 W HN 0.252 nan 8.180 nan 0.000 0.512 481 T N -2.527 112.125 114.554 0.164 0.000 2.942 481 T HA -0.107 4.251 4.350 0.013 0.000 0.265 481 T C 1.441 176.158 174.700 0.029 0.000 1.062 481 T CA 1.031 63.160 62.100 0.048 0.000 1.139 481 T CB -0.561 68.318 68.868 0.018 0.000 0.883 481 T HN -0.086 nan 8.240 nan 0.000 0.468 482 N N 0.970 119.704 118.700 0.057 0.000 2.120 482 N HA -0.006 4.742 4.740 0.013 0.000 0.188 482 N C 1.378 176.869 175.510 -0.031 0.000 1.024 482 N CA 1.043 54.104 53.050 0.019 0.000 0.852 482 N CB -0.639 37.880 38.487 0.054 0.000 1.003 482 N HN 0.501 nan 8.380 nan 0.000 0.424 483 F N 1.627 121.482 119.950 -0.158 0.000 2.134 483 F HA -0.079 4.456 4.527 0.013 0.000 0.299 483 F C 2.154 177.862 175.800 -0.153 0.000 1.097 483 F CA 1.338 59.194 58.000 -0.240 0.000 1.264 483 F CB -0.338 38.425 39.000 -0.394 0.000 1.001 483 F HN 0.025 nan 8.300 nan 0.000 0.479 484 A N 0.568 123.291 122.820 -0.161 0.000 1.902 484 A HA -0.165 4.163 4.320 0.013 0.000 0.217 484 A C 2.378 179.838 177.584 -0.206 0.000 1.181 484 A CA 1.605 53.528 52.037 -0.189 0.000 0.623 484 A CB -0.786 18.174 19.000 -0.067 0.000 0.818 484 A HN 0.432 nan 8.150 nan 0.000 0.443 485 R N -1.121 119.291 120.500 -0.147 0.000 2.081 485 R HA -0.116 4.232 4.340 0.013 0.000 0.235 485 R C 1.754 177.961 176.300 -0.155 0.000 1.131 485 R CA 1.975 58.003 56.100 -0.120 0.000 0.960 485 R CB -0.144 30.113 30.300 -0.072 0.000 0.856 485 R HN 0.732 nan 8.270 nan 0.000 0.436 486 T N -6.040 108.392 114.554 -0.203 0.000 3.130 486 T HA 0.207 4.565 4.350 0.013 0.000 0.288 486 T C 0.879 175.442 174.700 -0.228 0.000 0.936 486 T CA 0.332 62.330 62.100 -0.169 0.000 0.897 486 T CB 1.290 70.096 68.868 -0.104 0.000 1.178 486 T HN 0.315 nan 8.240 nan 0.000 0.543 487 G N 1.583 110.110 108.800 -0.456 0.000 2.198 487 G HA2 -0.150 3.817 3.960 0.013 0.000 0.260 487 G HA3 -0.150 3.817 3.960 0.013 0.000 0.260 487 G C -0.379 174.397 174.900 -0.207 0.000 1.025 487 G CA 0.327 45.062 45.100 -0.610 0.000 0.769 487 G HN 0.881 nan 8.290 nan 0.000 0.507 488 D N -1.130 119.148 120.400 -0.204 0.000 2.738 488 D HA 0.369 5.017 4.640 0.013 0.000 0.218 488 D C -1.517 174.607 176.300 -0.292 0.000 1.345 488 D CA -1.362 52.481 54.000 -0.261 0.000 0.943 488 D CB 1.690 42.438 40.800 -0.086 0.000 1.514 488 D HN -0.021 nan 8.370 nan 0.000 0.585 489 P HA -0.011 nan 4.420 nan 0.000 0.237 489 P C -0.082 177.243 177.300 0.042 0.000 1.178 489 P CA 0.041 62.971 63.100 -0.283 0.000 0.766 489 P CB 0.347 31.571 31.700 -0.793 0.000 0.876 490 N N 1.622 120.305 118.700 -0.029 0.000 2.520 490 N HA 0.024 4.772 4.740 0.013 0.000 0.273 490 N C 0.072 175.649 175.510 0.112 0.000 1.155 490 N CA 0.222 53.350 53.050 0.130 0.000 0.967 490 N CB 0.671 39.224 38.487 0.110 0.000 1.092 490 N HN 0.076 nan 8.380 nan 0.000 0.457 491 D N 2.336 122.821 120.400 0.142 0.000 2.401 491 D HA 0.045 4.693 4.640 0.013 0.000 0.254 491 D C -1.408 174.932 176.300 0.067 0.000 1.192 491 D CA -1.282 52.769 54.000 0.086 0.000 0.885 491 D CB 1.389 42.234 40.800 0.076 0.000 1.147 491 D HN 0.274 nan 8.370 nan 0.000 0.478 492 P HA -0.084 nan 4.420 nan 0.000 0.215 492 P C 1.141 178.464 177.300 0.037 0.000 1.157 492 P CA 1.100 64.222 63.100 0.036 0.000 0.863 492 P CB 0.397 32.110 31.700 0.021 0.000 0.787 493 R N -0.468 120.052 120.500 0.033 0.000 2.055 493 R HA -0.026 4.322 4.340 0.013 0.000 0.228 493 R C 0.992 177.314 176.300 0.037 0.000 1.143 493 R CA 0.921 57.039 56.100 0.030 0.000 0.945 493 R CB -1.276 29.038 30.300 0.024 0.000 0.841 493 R HN 0.118 nan 8.270 nan 0.000 0.429 494 D N 1.074 121.499 120.400 0.042 0.000 2.422 494 D HA -0.036 4.612 4.640 0.013 0.000 0.263 494 D C 0.575 176.912 176.300 0.063 0.000 1.334 494 D CA 0.042 54.071 54.000 0.049 0.000 1.105 494 D CB 0.500 41.330 40.800 0.049 0.000 1.107 494 D HN 0.218 nan 8.370 nan 0.000 0.522 495 S N 1.976 117.709 115.700 0.055 0.000 2.478 495 S HA -0.037 4.441 4.470 0.013 0.000 0.222 495 S C 2.135 176.772 174.600 0.062 0.000 1.008 495 S CA 0.507 58.744 58.200 0.061 0.000 0.928 495 S CB -0.110 63.121 63.200 0.052 0.000 0.781 495 S HN 0.408 nan 8.310 nan 0.000 0.518 496 K N 1.919 122.351 120.400 0.053 0.000 2.057 496 K HA 0.183 4.511 4.320 0.013 0.000 0.207 496 K C 1.337 177.973 176.600 0.060 0.000 1.049 496 K CA 1.348 57.665 56.287 0.050 0.000 0.931 496 K CB -1.372 31.152 32.500 0.040 0.000 0.714 496 K HN 0.445 nan 8.250 nan 0.000 0.440 497 S N 1.667 117.410 115.700 0.072 0.000 2.558 497 S HA 0.169 4.647 4.470 0.013 0.000 0.291 497 S C -2.208 172.455 174.600 0.105 0.000 1.306 497 S CA -0.720 57.536 58.200 0.093 0.000 1.056 497 S CB 0.717 63.989 63.200 0.119 0.000 0.836 497 S HN 0.514 nan 8.310 nan 0.000 0.504 498 P HA 0.069 nan 4.420 nan 0.000 0.268 498 P C -0.618 176.771 177.300 0.149 0.000 1.205 498 P CA -0.309 62.853 63.100 0.104 0.000 0.771 498 P CB 0.461 32.208 31.700 0.078 0.000 0.858 499 Q N 1.127 121.017 119.800 0.150 0.000 2.260 499 Q HA 0.198 4.546 4.340 0.013 0.000 0.238 499 Q C -0.589 175.570 176.000 0.264 0.000 0.948 499 Q CA 0.129 56.056 55.803 0.207 0.000 0.895 499 Q CB 1.036 29.882 28.738 0.180 0.000 1.218 499 Q HN 0.591 nan 8.270 nan 0.000 0.470 500 W N 5.215 126.575 121.300 0.100 0.000 2.296 500 W HA 0.363 5.030 4.660 0.012 0.000 0.316 500 W C -2.545 174.116 176.519 0.237 0.000 1.022 500 W CA -2.658 54.756 57.345 0.116 0.000 1.324 500 W CB 0.666 30.135 29.460 0.014 0.000 1.227 500 W HN 0.368 nan 8.180 nan 0.000 0.409 501 P HA 0.277 nan 4.420 nan 0.000 0.277 501 P C -2.594 174.929 177.300 0.371 0.000 1.240 501 P CA -1.620 61.711 63.100 0.386 0.000 0.798 501 P CB 0.740 32.580 31.700 0.234 0.000 0.979 502 P HA 0.051 nan 4.420 nan 0.000 0.269 502 P C -0.580 176.729 177.300 0.014 0.000 1.209 502 P CA 0.119 63.027 63.100 -0.319 0.000 0.776 502 P CB 0.053 31.516 31.700 -0.396 0.000 0.876 503 Y N 2.690 122.949 120.300 -0.068 0.000 2.465 503 Y HA 0.268 4.828 4.550 0.017 0.000 0.331 503 Y C 0.460 176.354 175.900 -0.011 0.000 1.102 503 Y CA 0.612 58.730 58.100 0.031 0.000 1.358 503 Y CB 0.178 38.675 38.460 0.062 0.000 1.213 503 Y HN 0.369 nan 8.280 nan 0.000 0.525 504 T N 0.240 114.571 114.554 -0.371 0.000 2.924 504 T HA 0.225 4.583 4.350 0.013 0.000 0.291 504 T C 1.055 175.487 174.700 -0.448 0.000 1.045 504 T CA -0.210 61.720 62.100 -0.284 0.000 1.015 504 T CB 1.373 70.156 68.868 -0.141 0.000 1.103 504 T HN 0.667 nan 8.240 nan 0.000 0.496 505 T N -0.503 113.924 114.554 -0.211 0.000 2.759 505 T HA -0.091 4.267 4.350 0.013 0.000 0.269 505 T C 2.248 176.875 174.700 -0.121 0.000 1.042 505 T CA 1.103 63.120 62.100 -0.139 0.000 1.140 505 T CB -0.902 67.948 68.868 -0.029 0.000 0.864 505 T HN 0.849 nan 8.240 nan 0.000 0.455 506 A N 1.946 124.706 122.820 -0.100 0.000 1.845 506 A HA 0.404 4.732 4.320 0.013 0.000 0.215 506 A C 2.696 180.236 177.584 -0.074 0.000 1.195 506 A CA 1.946 53.944 52.037 -0.064 0.000 0.616 506 A CB -1.234 17.741 19.000 -0.042 0.000 0.832 506 A HN 0.823 nan 8.150 nan 0.000 0.443 507 A N -2.761 119.995 122.820 -0.106 0.000 2.197 507 A HA 0.328 4.656 4.320 0.013 0.000 0.210 507 A C 0.922 178.447 177.584 -0.098 0.000 1.180 507 A CA 0.834 52.827 52.037 -0.073 0.000 0.846 507 A CB -0.141 18.835 19.000 -0.040 0.000 0.884 507 A HN 0.530 nan 8.150 nan 0.000 0.487 508 Q N -0.294 119.335 119.800 -0.285 0.000 2.453 508 Q HA -0.220 4.128 4.340 0.013 0.000 0.294 508 Q C -0.693 175.345 176.000 0.063 0.000 1.295 508 Q CA 0.686 56.264 55.803 -0.375 0.000 0.853 508 Q CB -1.651 27.044 28.738 -0.072 0.000 1.193 508 Q HN 0.833 nan 8.270 nan 0.000 0.461 509 Q N 0.351 120.200 119.800 0.081 0.000 2.288 509 Q HA 0.480 4.827 4.340 0.013 0.000 0.254 509 Q C -0.415 175.895 176.000 0.517 0.000 0.932 509 Q CA -0.066 55.891 55.803 0.257 0.000 0.902 509 Q CB 0.644 29.468 28.738 0.143 0.000 1.203 509 Q HN 0.331 nan 8.270 nan 0.000 0.415 510 Y N -1.322 119.124 120.300 0.243 0.000 2.677 510 Y HA 0.755 5.318 4.550 0.021 0.000 0.334 510 Y C -1.144 174.774 175.900 0.030 0.000 1.154 510 Y CA -1.543 56.688 58.100 0.219 0.000 1.070 510 Y CB 0.563 39.146 38.460 0.205 0.000 1.294 510 Y HN 0.327 nan 8.280 nan 0.000 0.475 511 V N -0.499 119.349 119.914 -0.109 0.000 2.769 511 V HA 0.782 4.909 4.120 0.013 0.000 0.312 511 V C -0.198 175.802 176.094 -0.157 0.000 1.061 511 V CA -0.656 61.423 62.300 -0.368 0.000 0.931 511 V CB 1.186 32.526 31.823 -0.806 0.000 1.010 511 V HN 1.186 nan 8.190 nan 0.000 0.433 512 S N 4.181 119.788 115.700 -0.156 0.000 2.528 512 S HA 0.611 5.089 4.470 0.013 0.000 0.277 512 S C -0.348 174.221 174.600 -0.053 0.000 1.297 512 S CA -0.548 57.627 58.200 -0.041 0.000 1.052 512 S CB 0.232 63.398 63.200 -0.058 0.000 0.917 512 S HN 0.756 nan 8.310 nan 0.000 0.492 513 L N 4.182 125.422 121.223 0.028 0.000 2.283 513 L HA 0.481 4.829 4.340 0.013 0.000 0.281 513 L C -0.176 176.585 176.870 -0.182 0.000 1.033 513 L CA -0.499 54.379 54.840 0.064 0.000 0.848 513 L CB -0.113 42.096 42.059 0.250 0.000 1.226 513 L HN 0.904 nan 8.230 nan 0.000 0.429 514 N N 2.129 120.663 118.700 -0.277 0.000 3.506 514 N HA 0.409 5.157 4.740 0.013 0.000 0.331 514 N C 0.211 175.197 175.510 -0.873 0.000 1.631 514 N CA -0.979 51.659 53.050 -0.686 0.000 0.786 514 N CB 0.685 38.950 38.487 -0.370 0.000 2.023 514 N HN 0.173 nan 8.380 nan 0.000 0.621 515 L N -1.215 119.543 121.223 -0.776 0.000 2.478 515 L HA 0.198 4.546 4.340 0.013 0.000 0.223 515 L C 0.233 176.957 176.870 -0.243 0.000 1.140 515 L CA 0.696 55.186 54.840 -0.584 0.000 0.842 515 L CB -0.513 41.273 42.059 -0.455 0.000 0.953 515 L HN 0.346 nan 8.230 nan 0.000 0.452 516 K N 0.105 120.391 120.400 -0.190 0.000 2.087 516 K HA 0.331 4.659 4.320 0.013 0.000 0.255 516 K C -2.216 174.360 176.600 -0.040 0.000 0.988 516 K CA -1.884 54.349 56.287 -0.090 0.000 0.915 516 K CB 0.275 32.727 32.500 -0.080 0.000 1.043 516 K HN -0.258 nan 8.250 nan 0.000 0.457 517 P HA -0.089 nan 4.420 nan 0.000 0.267 517 P C -0.430 176.883 177.300 0.021 0.000 1.201 517 P CA 0.005 63.124 63.100 0.032 0.000 0.775 517 P CB 0.376 32.093 31.700 0.029 0.000 0.854 518 L N 1.740 122.993 121.223 0.051 0.000 2.640 518 L HA -0.075 4.273 4.340 0.013 0.000 0.280 518 L C 1.144 177.987 176.870 -0.045 0.000 1.229 518 L CA 0.890 55.721 54.840 -0.016 0.000 0.919 518 L CB -0.256 41.792 42.059 -0.018 0.000 1.168 518 L HN 0.513 nan 8.230 nan 0.000 0.496 519 E N 3.456 123.603 120.200 -0.089 0.000 2.187 519 E HA 0.389 4.747 4.350 0.013 0.000 0.268 519 E C -1.352 175.153 176.600 -0.158 0.000 0.896 519 E CA -0.800 55.544 56.400 -0.094 0.000 0.766 519 E CB 1.995 31.646 29.700 -0.081 0.000 1.142 519 E HN 0.302 nan 8.360 nan 0.000 0.408 520 V N 5.119 124.952 119.914 -0.136 0.000 2.432 520 V HA 0.391 4.519 4.120 0.013 0.000 0.275 520 V C 0.266 176.225 176.094 -0.225 0.000 1.043 520 V CA -0.260 61.936 62.300 -0.173 0.000 0.925 520 V CB 0.922 32.704 31.823 -0.068 0.000 0.985 520 V HN 0.684 nan 8.190 nan 0.000 0.466 521 R N 4.019 124.255 120.500 -0.440 0.000 2.892 521 R HA 0.734 5.082 4.340 0.013 0.000 0.265 521 R C -0.766 175.349 176.300 -0.309 0.000 1.025 521 R CA -1.018 54.809 56.100 -0.455 0.000 0.982 521 R CB 2.319 32.199 30.300 -0.699 0.000 1.185 521 R HN 0.579 nan 8.270 nan 0.000 0.484 522 R N 0.169 120.670 120.500 0.003 0.000 2.494 522 R HA 0.458 4.806 4.340 0.013 0.000 0.305 522 R C -0.623 175.886 176.300 0.349 0.000 0.959 522 R CA -0.549 55.661 56.100 0.183 0.000 0.864 522 R CB 2.114 32.469 30.300 0.093 0.000 1.159 522 R HN 0.901 nan 8.270 nan 0.000 0.446 523 G N 2.303 111.337 108.800 0.390 0.000 3.391 523 G HA2 -0.225 3.743 3.960 0.013 0.000 0.675 523 G HA3 -0.225 3.743 3.960 0.013 0.000 0.675 523 G C -0.922 174.138 174.900 0.266 0.000 0.899 523 G CA -0.858 44.419 45.100 0.295 0.000 0.755 523 G HN 0.365 nan 8.290 nan 0.000 0.475 524 L N 4.530 125.802 121.223 0.082 0.000 2.334 524 L HA 0.489 4.837 4.340 0.013 0.000 0.286 524 L C 1.543 178.414 176.870 0.002 0.000 1.108 524 L CA -0.417 54.311 54.840 -0.186 0.000 0.875 524 L CB -0.333 41.537 42.059 -0.315 0.000 1.246 524 L HN 0.720 nan 8.230 nan 0.000 0.439 525 R N 3.001 123.541 120.500 0.068 0.000 3.251 525 R HA -0.267 4.081 4.340 0.013 0.000 0.249 525 R C 1.298 177.687 176.300 0.149 0.000 0.949 525 R CA 0.726 56.904 56.100 0.130 0.000 0.645 525 R CB -2.187 28.204 30.300 0.152 0.000 1.065 525 R HN 0.754 nan 8.270 nan 0.000 0.452 526 A N 0.642 123.546 122.820 0.141 0.000 1.865 526 A HA -0.260 4.068 4.320 0.013 0.000 0.217 526 A C 2.066 179.736 177.584 0.143 0.000 1.191 526 A CA 1.367 53.486 52.037 0.138 0.000 0.623 526 A CB -0.124 18.951 19.000 0.125 0.000 0.826 526 A HN 0.397 nan 8.150 nan 0.000 0.444 527 Q N -0.556 119.327 119.800 0.139 0.000 2.020 527 Q HA -0.119 4.229 4.340 0.013 0.000 0.202 527 Q C 2.290 178.404 176.000 0.191 0.000 0.982 527 Q CA 2.211 58.100 55.803 0.143 0.000 0.838 527 Q CB -1.340 27.469 28.738 0.120 0.000 0.899 527 Q HN 0.669 nan 8.270 nan 0.000 0.423 528 T N 0.309 115.002 114.554 0.232 0.000 2.788 528 T HA -0.115 4.243 4.350 0.013 0.000 0.268 528 T C 1.976 176.880 174.700 0.340 0.000 1.044 528 T CA 1.230 63.499 62.100 0.282 0.000 1.139 528 T CB -0.286 68.795 68.868 0.355 0.000 0.867 528 T HN 0.312 nan 8.240 nan 0.000 0.454 529 c N 1.530 120.325 118.600 0.325 0.000 2.481 529 c HA 0.342 4.920 4.570 0.013 0.000 0.275 529 c C 3.078 177.321 174.090 0.254 0.000 1.419 529 c CA -0.210 56.328 56.329 0.348 0.000 1.773 529 c CB -1.424 41.227 42.510 0.236 0.000 1.862 529 c HN 0.634 nan 8.230 nan 0.000 0.530 530 A N 0.386 123.323 122.820 0.195 0.000 1.933 530 A HA -0.183 4.145 4.320 0.013 0.000 0.218 530 A C 1.837 179.507 177.584 0.143 0.000 1.175 530 A CA 1.519 53.645 52.037 0.149 0.000 0.628 530 A CB -0.739 18.336 19.000 0.124 0.000 0.814 530 A HN 0.550 nan 8.150 nan 0.000 0.444 531 F N -0.684 119.238 119.950 -0.046 0.000 2.075 531 F HA -0.183 4.351 4.527 0.011 0.000 0.297 531 F C 1.973 177.708 175.800 -0.109 0.000 1.113 531 F CA 1.875 59.762 58.000 -0.189 0.000 1.218 531 F CB -0.590 38.018 39.000 -0.652 0.000 0.984 531 F HN 0.374 nan 8.300 nan 0.000 0.472 532 W N 0.653 121.915 121.300 -0.062 0.000 2.381 532 W HA -0.140 4.526 4.660 0.010 0.000 0.301 532 W C 2.224 178.675 176.519 -0.114 0.000 1.205 532 W CA 1.068 58.332 57.345 -0.136 0.000 1.285 532 W CB -0.675 28.843 29.460 0.098 0.000 1.133 532 W HN -0.016 nan 8.180 nan 0.000 0.521 533 N N -0.397 118.418 118.700 0.192 0.000 2.376 533 N HA 0.017 4.765 4.740 0.013 0.000 0.177 533 N C 1.520 177.055 175.510 0.042 0.000 1.024 533 N CA 0.965 54.077 53.050 0.103 0.000 0.893 533 N CB -0.239 38.311 38.487 0.106 0.000 0.980 533 N HN 0.237 nan 8.380 nan 0.000 0.439 534 R N -1.561 118.963 120.500 0.040 0.000 2.225 534 R HA 0.236 4.583 4.340 0.013 0.000 0.194 534 R C 1.264 177.583 176.300 0.033 0.000 0.949 534 R CA 0.027 56.152 56.100 0.042 0.000 1.088 534 R CB 0.037 30.385 30.300 0.080 0.000 1.106 534 R HN 0.069 nan 8.270 nan 0.000 0.566 535 F N 1.234 121.087 119.950 -0.161 0.000 2.243 535 F HA 0.115 4.650 4.527 0.013 0.000 0.287 535 F C 1.904 177.533 175.800 -0.284 0.000 1.067 535 F CA 0.550 58.433 58.000 -0.195 0.000 1.304 535 F CB -0.183 38.720 39.000 -0.162 0.000 1.087 535 F HN -0.159 nan 8.300 nan 0.000 0.513 536 L N 1.433 122.323 121.223 -0.556 0.000 2.021 536 L HA -0.178 4.170 4.340 0.013 0.000 0.215 536 L C -0.647 175.982 176.870 -0.402 0.000 1.074 536 L CA 2.336 56.813 54.840 -0.605 0.000 0.760 536 L CB -1.967 39.732 42.059 -0.601 0.000 0.889 536 L HN 0.090 nan 8.230 nan 0.000 0.433 537 P HA -0.209 nan 4.420 nan 0.000 0.215 537 P C 1.358 178.521 177.300 -0.229 0.000 1.157 537 P CA 1.717 64.707 63.100 -0.183 0.000 0.874 537 P CB -0.096 31.533 31.700 -0.119 0.000 0.790 538 K N -1.234 118.981 120.400 -0.308 0.000 2.209 538 K HA -0.091 4.236 4.320 0.013 0.000 0.204 538 K C 1.869 178.253 176.600 -0.360 0.000 1.048 538 K CA 0.864 56.969 56.287 -0.304 0.000 0.940 538 K CB -0.667 31.655 32.500 -0.297 0.000 0.729 538 K HN 0.125 nan 8.250 nan 0.000 0.451 539 L N 1.407 122.321 121.223 -0.516 0.000 2.341 539 L HA -0.025 4.323 4.340 0.013 0.000 0.214 539 L C 1.965 178.705 176.870 -0.217 0.000 1.115 539 L CA 0.776 55.378 54.840 -0.396 0.000 0.820 539 L CB -0.322 41.434 42.059 -0.506 0.000 0.944 539 L HN 0.076 nan 8.230 nan 0.000 0.452 540 L N -0.742 120.362 121.223 -0.198 0.000 2.042 540 L HA -0.116 4.232 4.340 0.013 0.000 0.210 540 L C 1.543 178.353 176.870 -0.101 0.000 1.076 540 L CA 1.793 56.559 54.840 -0.123 0.000 0.749 540 L CB -0.989 41.007 42.059 -0.106 0.000 0.893 540 L HN 0.167 nan 8.230 nan 0.000 0.432 541 S N 1.420 117.053 115.700 -0.112 0.000 3.544 541 S HA 0.662 5.139 4.470 0.013 0.000 0.227 541 S C 0.240 174.795 174.600 -0.075 0.000 1.387 541 S CA 0.166 58.315 58.200 -0.085 0.000 1.182 541 S CB -1.326 61.824 63.200 -0.083 0.000 1.243 541 S HN 0.851 nan 8.310 nan 0.000 0.467 542 A N 0.000 122.780 122.820 -0.067 0.000 2.254 542 A HA 0.000 4.328 4.320 0.013 0.000 0.244 542 A CA 0.000 52.007 52.037 -0.050 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