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 2jez_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.615 176.600 0.024 0.000 1.382 1 E CA 0.000 56.419 56.400 0.032 0.000 0.976 1 E CB 0.000 29.722 29.700 0.036 0.000 0.812 2 G N 3.003 111.817 108.800 0.024 0.000 2.797 2 G HA2 -0.178 3.785 3.960 0.005 0.000 0.195 2 G HA3 -0.178 3.785 3.960 0.005 0.000 0.195 2 G C 0.859 175.770 174.900 0.018 0.000 1.026 2 G CA 0.224 45.335 45.100 0.019 0.000 0.759 2 G HN 0.420 nan 8.290 nan 0.000 0.475 3 R N 1.569 122.079 120.500 0.018 0.000 2.300 3 R HA 0.304 4.647 4.340 0.005 0.000 0.199 3 R C 1.182 177.493 176.300 0.018 0.000 0.920 3 R CA 1.019 57.128 56.100 0.015 0.000 1.046 3 R CB 0.092 30.399 30.300 0.012 0.000 0.984 3 R HN 0.725 nan 8.270 nan 0.000 0.493 4 E N -0.704 119.510 120.200 0.024 0.000 2.285 4 E HA 0.119 4.472 4.350 0.005 0.000 0.254 4 E C -0.912 175.712 176.600 0.040 0.000 1.011 4 E CA -0.894 55.522 56.400 0.028 0.000 0.873 4 E CB 0.464 30.181 29.700 0.028 0.000 1.229 4 E HN -0.181 nan 8.360 nan 0.000 0.422 5 D N 1.668 122.098 120.400 0.051 0.000 2.389 5 D HA 0.018 4.661 4.640 0.005 0.000 0.263 5 D C -1.290 175.059 176.300 0.081 0.000 1.255 5 D CA -2.007 52.041 54.000 0.080 0.000 0.914 5 D CB 1.016 41.883 40.800 0.112 0.000 1.116 5 D HN 0.189 nan 8.370 nan 0.000 0.502 6 P HA -0.119 nan 4.420 nan 0.000 0.228 6 P C 0.858 178.185 177.300 0.044 0.000 1.151 6 P CA 0.605 63.732 63.100 0.044 0.000 0.770 6 P CB 0.500 32.213 31.700 0.022 0.000 0.786 7 Q N -0.732 119.095 119.800 0.046 0.000 2.360 7 Q HA 0.197 4.540 4.340 0.005 0.000 0.202 7 Q C 1.530 177.625 176.000 0.157 0.000 0.915 7 Q CA 0.247 56.056 55.803 0.010 0.000 0.943 7 Q CB 0.189 28.777 28.738 -0.251 0.000 1.064 7 Q HN 0.396 nan 8.270 nan 0.000 0.511 8 L N -0.235 121.103 121.223 0.191 0.000 2.766 8 L HA 0.253 4.596 4.340 0.005 0.000 0.242 8 L C 0.061 177.148 176.870 0.362 0.000 1.136 8 L CA 0.060 55.040 54.840 0.233 0.000 0.933 8 L CB 0.557 42.656 42.059 0.068 0.000 1.241 8 L HN -0.035 nan 8.230 nan 0.000 0.522 9 L N 1.112 122.482 121.223 0.245 0.000 2.257 9 L HA 0.466 4.809 4.340 0.005 0.000 0.290 9 L C -0.663 176.281 176.870 0.124 0.000 1.044 9 L CA -0.358 54.601 54.840 0.198 0.000 0.810 9 L CB 1.454 43.579 42.059 0.110 0.000 1.193 9 L HN -0.222 nan 8.230 nan 0.000 0.425 10 V N 3.347 123.311 119.914 0.084 0.000 2.876 10 V HA 0.506 4.629 4.120 0.005 0.000 0.312 10 V C -0.262 175.757 176.094 -0.126 0.000 1.085 10 V CA -0.797 61.382 62.300 -0.201 0.000 0.945 10 V CB 2.561 33.945 31.823 -0.733 0.000 1.017 10 V HN 0.731 nan 8.190 nan 0.000 0.428 11 R N 2.497 122.890 120.500 -0.178 0.000 2.407 11 R HA 0.817 5.160 4.340 0.005 0.000 0.303 11 R C -0.830 175.364 176.300 -0.176 0.000 0.981 11 R CA -0.323 55.712 56.100 -0.109 0.000 0.905 11 R CB 1.788 32.024 30.300 -0.106 0.000 1.099 11 R HN 0.700 nan 8.270 nan 0.000 0.459 12 V N 1.657 121.531 119.914 -0.066 0.000 3.181 12 V HA 0.508 4.631 4.120 0.005 0.000 0.314 12 V C 1.055 177.058 176.094 -0.151 0.000 1.173 12 V CA -1.032 61.214 62.300 -0.090 0.000 1.052 12 V CB 1.589 33.510 31.823 0.162 0.000 1.123 12 V HN 0.841 nan 8.190 nan 0.000 0.454 13 R N 1.394 121.785 120.500 -0.182 0.000 2.139 13 R HA -0.013 4.330 4.340 0.005 0.000 0.243 13 R C 1.756 177.909 176.300 -0.244 0.000 1.145 13 R CA 2.375 58.367 56.100 -0.180 0.000 0.976 13 R CB -1.164 29.047 30.300 -0.147 0.000 0.866 13 R HN 1.043 nan 8.270 nan 0.000 0.449 14 G N -2.075 106.527 108.800 -0.329 0.000 2.880 14 G HA2 0.409 4.372 3.960 0.005 0.000 0.209 14 G HA3 0.409 4.372 3.960 0.005 0.000 0.209 14 G C 0.336 174.250 174.900 -1.643 0.000 1.157 14 G CA 0.334 44.975 45.100 -0.764 0.000 0.779 14 G HN 0.725 nan 8.290 nan 0.000 0.539 15 G N -0.953 107.185 108.800 -1.103 0.000 2.302 15 G HA2 0.102 4.065 3.960 0.005 0.000 0.264 15 G HA3 0.102 4.065 3.960 0.005 0.000 0.264 15 G C -1.287 173.542 174.900 -0.118 0.000 1.335 15 G CA -0.917 43.660 45.100 -0.871 0.000 0.982 15 G HN 0.266 nan 8.290 nan 0.000 0.473 16 Q N -0.245 119.673 119.800 0.197 0.000 2.243 16 Q HA 0.674 5.017 4.340 0.005 0.000 0.252 16 Q C -0.459 175.858 176.000 0.528 0.000 0.909 16 Q CA -0.213 55.779 55.803 0.315 0.000 0.922 16 Q CB 1.363 30.220 28.738 0.199 0.000 1.215 16 Q HN 0.434 nan 8.270 nan 0.000 0.427 17 L N 2.409 123.863 121.223 0.385 0.000 2.346 17 L HA 0.595 4.938 4.340 0.005 0.000 0.274 17 L C -0.381 176.707 176.870 0.363 0.000 1.007 17 L CA -0.732 54.346 54.840 0.396 0.000 0.818 17 L CB 1.938 44.285 42.059 0.479 0.000 1.284 17 L HN 0.440 nan 8.230 nan 0.000 0.424 18 R N 1.275 121.947 120.500 0.287 0.000 2.310 18 R HA 0.598 4.941 4.340 0.005 0.000 0.324 18 R C -0.098 176.279 176.300 0.129 0.000 0.955 18 R CA -0.305 55.926 56.100 0.219 0.000 0.830 18 R CB 1.490 31.853 30.300 0.104 0.000 1.154 18 R HN 0.822 nan 8.270 nan 0.000 0.458 19 G N 3.326 112.095 108.800 -0.052 0.000 2.531 19 G HA2 0.412 4.375 3.960 0.005 0.000 0.281 19 G HA3 0.412 4.375 3.960 0.005 0.000 0.281 19 G C -0.903 173.735 174.900 -0.436 0.000 1.382 19 G CA -0.673 44.014 45.100 -0.689 0.000 1.045 19 G HN 0.591 nan 8.290 nan 0.000 0.533 20 I N -0.934 119.337 120.570 -0.498 0.000 2.582 20 I HA 0.459 4.632 4.170 0.005 0.000 0.292 20 I C 0.034 175.992 176.117 -0.265 0.000 1.066 20 I CA -1.068 60.053 61.300 -0.300 0.000 1.053 20 I CB 2.010 39.849 38.000 -0.269 0.000 1.241 20 I HN 0.393 nan 8.210 nan 0.000 0.421 21 R N 8.085 128.461 120.500 -0.208 0.000 2.242 21 R HA 0.423 4.766 4.340 0.005 0.000 0.334 21 R C -1.633 174.520 176.300 -0.245 0.000 1.071 21 R CA -0.286 55.640 56.100 -0.290 0.000 0.922 21 R CB 0.261 30.310 30.300 -0.419 0.000 1.023 21 R HN 0.653 nan 8.270 nan 0.000 0.458 22 L N 4.426 125.532 121.223 -0.195 0.000 2.322 22 L HA 0.369 4.712 4.340 0.005 0.000 0.279 22 L C 0.209 176.994 176.870 -0.141 0.000 1.036 22 L CA -1.016 53.743 54.840 -0.136 0.000 0.807 22 L CB 1.631 43.656 42.059 -0.057 0.000 1.226 22 L HN 0.358 nan 8.230 nan 0.000 0.433 23 K N 2.888 123.214 120.400 -0.123 0.000 2.338 23 K HA 0.439 4.762 4.320 0.005 0.000 0.290 23 K C -0.222 176.311 176.600 -0.112 0.000 1.069 23 K CA -0.067 56.155 56.287 -0.107 0.000 0.941 23 K CB 1.293 33.745 32.500 -0.080 0.000 1.023 23 K HN 0.659 nan 8.250 nan 0.000 0.477 24 A N 5.093 127.846 122.820 -0.111 0.000 2.269 24 A HA 0.509 4.832 4.320 0.005 0.000 0.319 24 A C -1.606 175.971 177.584 -0.011 0.000 1.110 24 A CA -1.505 50.457 52.037 -0.124 0.000 0.847 24 A CB 0.477 19.375 19.000 -0.169 0.000 1.161 24 A HN 0.331 nan 8.150 nan 0.000 0.497 25 P HA -0.125 nan 4.420 nan 0.000 0.216 25 P C 1.280 178.609 177.300 0.048 0.000 1.153 25 P CA 2.078 65.226 63.100 0.079 0.000 0.858 25 P CB 0.191 31.969 31.700 0.131 0.000 0.789 26 G N -2.281 106.550 108.800 0.052 0.000 3.141 26 G HA2 0.445 4.408 3.960 0.005 0.000 0.218 26 G HA3 0.445 4.408 3.960 0.005 0.000 0.218 26 G C 0.530 175.447 174.900 0.029 0.000 1.170 26 G CA 0.431 45.555 45.100 0.039 0.000 0.769 26 G HN 0.606 nan 8.290 nan 0.000 0.546 27 G N -0.481 108.328 108.800 0.015 0.000 2.359 27 G HA2 0.291 4.254 3.960 0.005 0.000 0.303 27 G HA3 0.291 4.254 3.960 0.005 0.000 0.303 27 G C -3.423 171.466 174.900 -0.019 0.000 1.293 27 G CA -0.630 44.474 45.100 0.007 0.000 0.964 27 G HN 0.092 nan 8.290 nan 0.000 0.531 28 P HA 0.595 nan 4.420 nan 0.000 0.282 28 P C -0.091 177.197 177.300 -0.020 0.000 1.259 28 P CA -0.430 62.593 63.100 -0.130 0.000 0.826 28 P CB 1.724 33.207 31.700 -0.362 0.000 1.064 29 V N -1.776 118.119 119.914 -0.033 0.000 3.001 29 V HA 0.683 4.806 4.120 0.005 0.000 0.314 29 V C -0.359 175.813 176.094 0.131 0.000 1.099 29 V CA -0.943 61.430 62.300 0.123 0.000 0.989 29 V CB 1.697 33.604 31.823 0.139 0.000 1.040 29 V HN 0.436 nan 8.190 nan 0.000 0.434 30 S N 1.795 117.653 115.700 0.263 0.000 2.457 30 S HA 0.829 5.302 4.470 0.005 0.000 0.289 30 S C 0.049 174.654 174.600 0.009 0.000 1.163 30 S CA -0.032 58.269 58.200 0.168 0.000 1.078 30 S CB 1.153 64.572 63.200 0.365 0.000 0.987 30 S HN 1.523 nan 8.310 nan 0.000 0.482 31 A N 2.907 125.541 122.820 -0.311 0.000 2.331 31 A HA 0.799 5.122 4.320 0.005 0.000 0.320 31 A C -1.098 176.055 177.584 -0.718 0.000 1.138 31 A CA -0.645 51.083 52.037 -0.515 0.000 0.790 31 A CB 0.354 18.997 19.000 -0.594 0.000 1.206 31 A HN 0.678 nan 8.150 nan 0.000 0.470 32 F N 2.815 122.568 119.950 -0.328 0.000 2.366 32 F HA 0.481 5.011 4.527 0.005 0.000 0.366 32 F C -0.162 175.427 175.800 -0.352 0.000 1.096 32 F CA -0.322 57.562 58.000 -0.193 0.000 1.060 32 F CB 1.237 40.271 39.000 0.056 0.000 1.282 32 F HN 0.343 nan 8.300 nan 0.000 0.450 33 L N 2.070 123.116 121.223 -0.295 0.000 2.325 33 L HA 0.704 5.047 4.340 0.005 0.000 0.278 33 L C 0.923 177.677 176.870 -0.194 0.000 1.023 33 L CA -1.095 53.509 54.840 -0.393 0.000 0.811 33 L CB 1.706 43.304 42.059 -0.768 0.000 1.249 33 L HN 0.809 nan 8.230 nan 0.000 0.431 34 G N 2.963 111.719 108.800 -0.073 0.000 2.295 34 G HA2 -0.264 3.699 3.960 0.005 0.000 0.287 34 G HA3 -0.264 3.699 3.960 0.005 0.000 0.287 34 G C -0.144 174.801 174.900 0.075 0.000 1.055 34 G CA -0.242 44.843 45.100 -0.024 0.000 0.922 34 G HN 0.478 nan 8.290 nan 0.000 0.503 35 I N 2.204 122.813 120.570 0.066 0.000 2.379 35 I HA 0.218 4.391 4.170 0.005 0.000 0.290 35 I C -1.349 174.802 176.117 0.056 0.000 1.063 35 I CA -2.103 59.216 61.300 0.032 0.000 1.351 35 I CB 0.977 38.951 38.000 -0.043 0.000 1.410 35 I HN 0.004 nan 8.210 nan 0.000 0.505 36 P HA 0.013 nan 4.420 nan 0.000 0.271 36 P C -0.242 177.017 177.300 -0.069 0.000 1.220 36 P CA 0.103 63.049 63.100 -0.257 0.000 0.768 36 P CB 0.517 32.065 31.700 -0.253 0.000 0.848 37 F N 0.900 120.710 119.950 -0.234 0.000 2.746 37 F HA 0.721 5.251 4.527 0.006 0.000 0.320 37 F C 0.029 175.840 175.800 0.019 0.000 1.097 37 F CA -0.709 57.234 58.000 -0.096 0.000 1.195 37 F CB 0.230 39.061 39.000 -0.283 0.000 1.056 37 F HN 0.337 nan 8.300 nan 0.000 0.562 38 A N 0.108 122.635 122.820 -0.488 0.000 2.594 38 A HA 0.603 4.926 4.320 0.005 0.000 0.291 38 A C -0.897 176.515 177.584 -0.286 0.000 1.105 38 A CA -0.758 51.078 52.037 -0.336 0.000 0.694 38 A CB 1.040 19.736 19.000 -0.505 0.000 1.291 38 A HN 0.054 nan 8.150 nan 0.000 0.410 39 E N 1.189 121.301 120.200 -0.146 0.000 2.384 39 E HA 0.239 4.592 4.350 0.005 0.000 0.266 39 E C -2.330 174.165 176.600 -0.176 0.000 1.012 39 E CA -1.426 54.905 56.400 -0.115 0.000 0.901 39 E CB 0.090 29.762 29.700 -0.045 0.000 0.967 39 E HN 0.220 nan 8.360 nan 0.000 0.435 40 P HA -0.032 nan 4.420 nan 0.000 0.256 40 P C -2.195 175.031 177.300 -0.123 0.000 1.173 40 P CA -0.580 62.426 63.100 -0.157 0.000 0.768 40 P CB -0.073 31.577 31.700 -0.082 0.000 0.758 41 P HA -0.011 nan 4.420 nan 0.000 0.225 41 P C -0.082 177.153 177.300 -0.108 0.000 1.768 41 P CA 0.150 63.186 63.100 -0.107 0.000 0.943 41 P CB -0.186 31.452 31.700 -0.103 0.000 1.936 42 V N -2.805 117.053 119.914 -0.093 0.000 3.096 42 V HA 0.863 4.986 4.120 0.005 0.000 0.319 42 V C 1.123 177.172 176.094 -0.075 0.000 1.082 42 V CA 0.221 62.466 62.300 -0.092 0.000 1.022 42 V CB 0.560 32.339 31.823 -0.073 0.000 1.103 42 V HN 0.523 nan 8.190 nan 0.000 0.455 43 G N 2.250 111.007 108.800 -0.072 0.000 2.629 43 G HA2 -0.373 3.590 3.960 0.005 0.000 0.313 43 G HA3 -0.373 3.590 3.960 0.005 0.000 0.313 43 G C 1.279 176.154 174.900 -0.042 0.000 1.217 43 G CA 1.895 46.967 45.100 -0.047 0.000 0.994 43 G HN 2.371 nan 8.290 nan 0.000 0.549 44 S N 0.377 116.066 115.700 -0.019 0.000 2.515 44 S HA 0.076 4.549 4.470 0.005 0.000 0.231 44 S C 1.947 176.547 174.600 -0.001 0.000 0.987 44 S CA 1.527 59.728 58.200 0.001 0.000 0.936 44 S CB -0.021 63.185 63.200 0.011 0.000 0.766 44 S HN 0.680 nan 8.310 nan 0.000 0.528 45 R N 0.695 121.179 120.500 -0.028 0.000 2.317 45 R HA 0.258 4.601 4.340 0.005 0.000 0.208 45 R C 0.923 177.184 176.300 -0.065 0.000 0.914 45 R CA -0.253 55.830 56.100 -0.028 0.000 1.060 45 R CB 0.056 30.334 30.300 -0.035 0.000 1.015 45 R HN 0.382 nan 8.270 nan 0.000 0.498 46 R N 0.776 121.194 120.500 -0.137 0.000 2.570 46 R HA -0.113 4.230 4.340 0.005 0.000 0.277 46 R C -0.294 175.806 176.300 -0.333 0.000 1.039 46 R CA 0.541 56.431 56.100 -0.348 0.000 1.065 46 R CB 0.183 30.158 30.300 -0.542 0.000 0.964 46 R HN 0.097 nan 8.270 nan 0.000 0.428 47 F N -0.870 119.094 119.950 0.023 0.000 2.732 47 F HA -0.312 4.217 4.527 0.005 0.000 0.443 47 F C 0.263 176.054 175.800 -0.014 0.000 0.572 47 F CA 0.672 58.660 58.000 -0.019 0.000 1.050 47 F CB -1.384 37.595 39.000 -0.035 0.000 1.665 47 F HN 0.441 nan 8.300 nan 0.000 0.278 48 M N 1.673 121.343 119.600 0.117 0.000 2.250 48 M HA 0.323 4.806 4.480 0.005 0.000 0.344 48 M C -1.759 174.571 176.300 0.051 0.000 1.150 48 M CA -1.991 53.356 55.300 0.079 0.000 1.147 48 M CB -0.145 32.486 32.600 0.053 0.000 1.498 48 M HN -0.319 nan 8.290 nan 0.000 0.461 49 P HA 0.016 nan 4.420 nan 0.000 0.267 49 P C -2.366 174.964 177.300 0.049 0.000 1.195 49 P CA -0.324 62.813 63.100 0.061 0.000 0.773 49 P CB -0.443 31.303 31.700 0.076 0.000 0.837 50 P HA 0.165 nan 4.420 nan 0.000 0.275 50 P C -0.600 176.730 177.300 0.051 0.000 1.227 50 P CA 0.117 63.238 63.100 0.035 0.000 0.781 50 P CB 0.803 32.543 31.700 0.067 0.000 0.906 51 E N 3.439 123.652 120.200 0.022 0.000 2.231 51 E HA 0.328 4.681 4.350 0.005 0.000 0.277 51 E C -2.172 174.457 176.600 0.049 0.000 0.999 51 E CA -2.271 54.153 56.400 0.040 0.000 0.827 51 E CB 0.256 29.972 29.700 0.026 0.000 1.101 51 E HN 0.344 nan 8.360 nan 0.000 0.393 52 P HA -0.144 nan 4.420 nan 0.000 0.264 52 P C -0.845 176.517 177.300 0.105 0.000 1.173 52 P CA 0.220 63.397 63.100 0.127 0.000 0.761 52 P CB 0.366 32.139 31.700 0.121 0.000 0.794 53 K N 4.008 124.496 120.400 0.147 0.000 2.436 53 K HA 0.019 4.342 4.320 0.005 0.000 0.282 53 K C -0.052 176.654 176.600 0.177 0.000 1.044 53 K CA 0.302 56.682 56.287 0.155 0.000 1.028 53 K CB -0.064 32.591 32.500 0.260 0.000 0.919 53 K HN 0.184 nan 8.250 nan 0.000 0.474 54 R N 5.411 125.993 120.500 0.138 0.000 2.537 54 R HA 0.155 4.498 4.340 0.005 0.000 0.280 54 R C -2.106 174.282 176.300 0.147 0.000 1.058 54 R CA -1.310 54.856 56.100 0.110 0.000 1.057 54 R CB 0.224 30.576 30.300 0.086 0.000 0.973 54 R HN 0.562 nan 8.270 nan 0.000 0.438 55 P HA -0.075 nan 4.420 nan 0.000 0.266 55 P C -1.233 176.071 177.300 0.007 0.000 1.193 55 P CA 0.242 63.255 63.100 -0.144 0.000 0.770 55 P CB 0.278 31.855 31.700 -0.204 0.000 0.836 56 W N 1.251 122.587 121.300 0.060 0.000 2.671 56 W HA 0.710 5.373 4.660 0.005 0.000 0.360 56 W C -0.565 175.982 176.519 0.046 0.000 1.128 56 W CA -0.959 56.418 57.345 0.054 0.000 1.184 56 W CB 0.083 29.584 29.460 0.068 0.000 1.415 56 W HN 0.376 nan 8.180 nan 0.000 0.604 57 S N 1.219 117.094 115.700 0.292 0.000 2.593 57 S HA 0.856 5.329 4.470 0.005 0.000 0.297 57 S C 0.293 175.053 174.600 0.266 0.000 1.112 57 S CA -0.024 58.280 58.200 0.173 0.000 1.043 57 S CB 0.979 64.238 63.200 0.099 0.000 1.054 57 S HN 2.193 nan 8.310 nan 0.000 0.516 58 G N 0.232 109.143 108.800 0.185 0.000 2.750 58 G HA2 -0.130 3.833 3.960 0.005 0.000 0.228 58 G HA3 -0.130 3.833 3.960 0.005 0.000 0.228 58 G C -0.698 174.369 174.900 0.278 0.000 1.367 58 G CA -0.426 44.783 45.100 0.181 0.000 0.871 58 G HN 1.696 nan 8.290 nan 0.000 0.560 59 V N 0.918 120.955 119.914 0.205 0.000 2.368 59 V HA 0.479 4.602 4.120 0.005 0.000 0.266 59 V C 1.052 177.245 176.094 0.165 0.000 1.045 59 V CA -0.173 62.259 62.300 0.220 0.000 0.899 59 V CB 1.020 32.930 31.823 0.144 0.000 1.006 59 V HN 0.809 nan 8.190 nan 0.000 0.470 60 L N 4.665 125.991 121.223 0.172 0.000 2.410 60 L HA 0.257 4.600 4.340 0.005 0.000 0.273 60 L C 0.651 177.507 176.870 -0.023 0.000 1.152 60 L CA 0.215 54.989 54.840 -0.112 0.000 0.855 60 L CB 0.572 42.272 42.059 -0.599 0.000 1.129 60 L HN 0.709 nan 8.230 nan 0.000 0.463 61 D N 4.770 125.132 120.400 -0.062 0.000 2.317 61 D HA 0.196 4.839 4.640 0.005 0.000 0.252 61 D C -0.461 175.794 176.300 -0.075 0.000 1.174 61 D CA -0.001 53.971 54.000 -0.047 0.000 0.866 61 D CB 1.504 42.266 40.800 -0.064 0.000 1.127 61 D HN 0.679 nan 8.370 nan 0.000 0.467 62 A N 3.151 125.950 122.820 -0.035 0.000 2.985 62 A HA 0.214 4.537 4.320 0.005 0.000 0.303 62 A C 0.898 178.381 177.584 -0.168 0.000 1.048 62 A CA -0.432 51.575 52.037 -0.051 0.000 1.016 62 A CB -0.070 19.016 19.000 0.142 0.000 1.118 62 A HN 0.572 nan 8.150 nan 0.000 0.529 63 T N -3.355 111.080 114.554 -0.199 0.000 3.010 63 T HA 0.263 4.616 4.350 0.005 0.000 0.257 63 T C 0.721 175.243 174.700 -0.296 0.000 1.020 63 T CA 0.797 62.749 62.100 -0.247 0.000 0.938 63 T CB -0.126 68.636 68.868 -0.176 0.000 1.049 63 T HN 0.713 nan 8.240 nan 0.000 0.522 64 T N -0.431 113.947 114.554 -0.294 0.000 2.903 64 T HA 0.706 5.059 4.350 0.005 0.000 0.299 64 T C -0.762 173.741 174.700 -0.329 0.000 1.093 64 T CA -0.896 61.022 62.100 -0.303 0.000 1.002 64 T CB 1.117 69.881 68.868 -0.172 0.000 1.127 64 T HN -0.002 nan 8.240 nan 0.000 0.488 65 F N 1.815 121.690 119.950 -0.126 0.000 2.545 65 F HA 0.336 4.866 4.527 0.005 0.000 0.348 65 F C 1.444 177.134 175.800 -0.184 0.000 1.163 65 F CA -0.108 57.817 58.000 -0.125 0.000 1.331 65 F CB 0.485 39.441 39.000 -0.072 0.000 1.138 65 F HN 0.479 nan 8.300 nan 0.000 0.602 66 Q N 0.999 120.797 119.800 -0.002 0.000 2.166 66 Q HA 0.225 4.568 4.340 0.005 0.000 0.226 66 Q C -0.340 175.562 176.000 -0.164 0.000 0.989 66 Q CA -0.913 54.722 55.803 -0.281 0.000 0.966 66 Q CB 0.707 28.965 28.738 -0.799 0.000 1.173 66 Q HN 0.504 nan 8.270 nan 0.000 0.509 67 N N 0.011 118.570 118.700 -0.234 0.000 2.294 67 N HA -0.046 4.697 4.740 0.005 0.000 0.248 67 N C -0.544 174.941 175.510 -0.041 0.000 1.242 67 N CA 0.268 53.253 53.050 -0.108 0.000 0.848 67 N CB 0.255 38.701 38.487 -0.069 0.000 1.084 67 N HN 0.185 nan 8.380 nan 0.000 0.457 68 V N 2.170 122.035 119.914 -0.082 0.000 2.649 68 V HA 0.065 4.188 4.120 0.005 0.000 0.292 68 V C 0.740 176.776 176.094 -0.095 0.000 1.055 68 V CA -0.845 61.394 62.300 -0.103 0.000 1.023 68 V CB 0.984 32.704 31.823 -0.172 0.000 0.992 68 V HN 0.700 nan 8.190 nan 0.000 0.480 69 c N 4.219 122.778 118.600 -0.068 0.000 2.642 69 c HA 0.098 4.671 4.570 0.005 0.000 0.420 69 c C 0.511 174.536 174.090 -0.108 0.000 1.349 69 c CA -0.560 55.732 56.329 -0.062 0.000 1.821 69 c CB -1.129 41.375 42.510 -0.010 0.000 2.637 69 c HN 0.754 nan 8.230 nan 0.000 0.605 70 Y N 4.178 124.302 120.300 -0.293 0.000 2.721 70 Y HA 0.199 4.752 4.550 0.005 0.000 0.329 70 Y C 0.831 176.701 175.900 -0.049 0.000 1.211 70 Y CA 1.069 58.978 58.100 -0.317 0.000 1.512 70 Y CB 0.112 38.133 38.460 -0.731 0.000 1.249 70 Y HN 0.744 nan 8.280 nan 0.000 0.549 71 Q N 4.266 124.025 119.800 -0.069 0.000 2.575 71 Q HA 0.224 4.567 4.340 0.005 0.000 0.290 71 Q C -1.802 174.296 176.000 0.163 0.000 0.963 71 Q CA -1.232 54.684 55.803 0.188 0.000 0.783 71 Q CB 1.293 30.093 28.738 0.103 0.000 1.467 71 Q HN 0.666 nan 8.270 nan 0.000 0.402 72 Y N 1.200 121.609 120.300 0.182 0.000 2.620 72 Y HA 0.280 4.833 4.550 0.005 0.000 0.330 72 Y C -0.828 175.124 175.900 0.087 0.000 1.186 72 Y CA 0.201 58.378 58.100 0.129 0.000 1.467 72 Y CB 0.838 39.349 38.460 0.085 0.000 1.262 72 Y HN 0.428 nan 8.280 nan 0.000 0.550 73 V N 7.106 126.705 119.914 -0.524 0.000 2.350 73 V HA 0.085 4.208 4.120 0.005 0.000 0.276 73 V C -0.312 175.449 176.094 -0.556 0.000 1.028 73 V CA -1.048 61.026 62.300 -0.376 0.000 0.860 73 V CB 0.947 32.620 31.823 -0.251 0.000 0.990 73 V HN 0.732 nan 8.190 nan 0.000 0.453 74 D N 3.998 124.308 120.400 -0.149 0.000 2.450 74 D HA 0.119 4.762 4.640 0.005 0.000 0.247 74 D C 0.866 177.235 176.300 0.115 0.000 1.162 74 D CA 0.480 54.555 54.000 0.125 0.000 0.879 74 D CB 1.509 42.552 40.800 0.405 0.000 1.163 74 D HN 0.755 nan 8.370 nan 0.000 0.472 75 T N -0.213 114.426 114.554 0.142 0.000 3.288 75 T HA 0.059 4.412 4.350 0.005 0.000 0.293 75 T C 1.446 176.192 174.700 0.077 0.000 1.008 75 T CA -0.451 61.704 62.100 0.090 0.000 0.929 75 T CB 0.106 68.989 68.868 0.024 0.000 1.152 75 T HN 0.093 nan 8.240 nan 0.000 0.517 76 L N 0.678 121.941 121.223 0.067 0.000 2.083 76 L HA 0.185 4.528 4.340 0.005 0.000 0.209 76 L C -0.189 176.388 176.870 -0.488 0.000 1.083 76 L CA 1.599 56.267 54.840 -0.287 0.000 0.752 76 L CB -0.265 41.431 42.059 -0.606 0.000 0.899 76 L HN 0.411 nan 8.230 nan 0.000 0.433 77 Y N -0.606 119.754 120.300 0.101 0.000 2.658 77 Y HA 0.409 4.962 4.550 0.005 0.000 0.362 77 Y C -2.237 173.734 175.900 0.118 0.000 1.017 77 Y CA -3.631 54.510 58.100 0.069 0.000 1.134 77 Y CB -0.254 38.225 38.460 0.032 0.000 1.144 77 Y HN 0.036 nan 8.280 nan 0.000 0.655 78 P HA 0.158 nan 4.420 nan 0.000 0.262 78 P C 1.064 178.431 177.300 0.111 0.000 1.199 78 P CA 1.432 64.601 63.100 0.116 0.000 0.763 78 P CB 0.811 32.550 31.700 0.065 0.000 0.790 79 G N 3.129 111.980 108.800 0.085 0.000 2.258 79 G HA2 -0.283 3.680 3.960 0.005 0.000 0.233 79 G HA3 -0.283 3.680 3.960 0.005 0.000 0.233 79 G C 0.035 174.973 174.900 0.064 0.000 1.006 79 G CA -0.479 44.649 45.100 0.047 0.000 0.620 79 G HN 0.528 nan 8.290 nan 0.000 0.511 80 F N 2.875 122.787 119.950 -0.063 0.000 2.543 80 F HA 0.519 5.049 4.527 0.005 0.000 0.375 80 F C 1.460 177.156 175.800 -0.173 0.000 1.075 80 F CA -0.038 57.868 58.000 -0.157 0.000 1.225 80 F CB 1.274 40.157 39.000 -0.196 0.000 1.099 80 F HN 0.273 nan 8.300 nan 0.000 0.561 81 E N 4.182 123.927 120.200 -0.758 0.000 2.077 81 E HA -0.069 4.284 4.350 0.005 0.000 0.193 81 E C 2.199 178.257 176.600 -0.904 0.000 0.989 81 E CA 1.791 57.776 56.400 -0.693 0.000 0.800 81 E CB -0.615 28.765 29.700 -0.535 0.000 0.746 81 E HN 0.855 nan 8.360 nan 0.000 0.452 82 G N -0.754 106.959 108.800 -1.812 0.000 2.479 82 G HA2 -0.284 3.679 3.960 0.005 0.000 0.220 82 G HA3 -0.284 3.679 3.960 0.005 0.000 0.220 82 G C 1.653 176.483 174.900 -0.116 0.000 1.115 82 G CA 1.600 45.987 45.100 -1.187 0.000 0.757 82 G HN 0.498 nan 8.290 nan 0.000 0.560 83 T N -2.663 111.810 114.554 -0.136 0.000 3.023 83 T HA 0.164 4.517 4.350 0.005 0.000 0.249 83 T C 1.863 176.708 174.700 0.241 0.000 1.050 83 T CA 0.611 63.000 62.100 0.482 0.000 1.088 83 T CB 0.204 69.471 68.868 0.665 0.000 0.946 83 T HN 0.092 nan 8.240 nan 0.000 0.480 84 E N 2.398 122.574 120.200 -0.040 0.000 2.107 84 E HA -0.023 4.330 4.350 0.005 0.000 0.191 84 E C 2.251 178.727 176.600 -0.206 0.000 0.982 84 E CA 1.222 57.566 56.400 -0.094 0.000 0.809 84 E CB -0.512 29.104 29.700 -0.140 0.000 0.756 84 E HN 0.795 nan 8.360 nan 0.000 0.459 85 M N -2.147 117.219 119.600 -0.389 0.000 2.530 85 M HA -0.079 4.404 4.480 0.005 0.000 0.261 85 M C 1.234 177.085 176.300 -0.749 0.000 1.067 85 M CA 1.423 56.339 55.300 -0.639 0.000 1.071 85 M CB -0.532 31.548 32.600 -0.867 0.000 1.405 85 M HN 0.016 nan 8.290 nan 0.000 0.478 86 W N 0.660 121.866 121.300 -0.157 0.000 3.013 86 W HA 0.273 4.936 4.660 0.004 0.000 0.280 86 W C 0.397 176.806 176.519 -0.183 0.000 1.249 86 W CA -1.003 56.233 57.345 -0.183 0.000 1.577 86 W CB 0.028 29.436 29.460 -0.086 0.000 1.057 86 W HN 0.099 nan 8.180 nan 0.000 0.613 87 N N 1.635 120.344 118.700 0.014 0.000 2.508 87 N HA 0.125 4.868 4.740 0.005 0.000 0.264 87 N C -2.444 172.988 175.510 -0.129 0.000 1.216 87 N CA -1.488 51.540 53.050 -0.038 0.000 0.943 87 N CB 0.144 38.612 38.487 -0.031 0.000 1.113 87 N HN -0.334 nan 8.380 nan 0.000 0.447 88 P HA 0.031 nan 4.420 nan 0.000 0.264 88 P C 0.164 177.358 177.300 -0.177 0.000 1.183 88 P CA 0.161 63.149 63.100 -0.186 0.000 0.763 88 P CB 0.349 31.934 31.700 -0.190 0.000 0.807 89 N N 1.797 120.381 118.700 -0.194 0.000 2.238 89 N HA 0.112 4.855 4.740 0.005 0.000 0.235 89 N C 0.021 175.451 175.510 -0.134 0.000 1.209 89 N CA -0.117 52.831 53.050 -0.169 0.000 0.879 89 N CB 0.464 38.829 38.487 -0.203 0.000 1.136 89 N HN 0.127 nan 8.380 nan 0.000 0.517 90 R N 0.208 120.627 120.500 -0.135 0.000 2.817 90 R HA 0.282 4.625 4.340 0.005 0.000 0.268 90 R C -0.674 175.556 176.300 -0.118 0.000 1.027 90 R CA -0.693 55.345 56.100 -0.103 0.000 0.928 90 R CB 0.898 31.150 30.300 -0.080 0.000 1.228 90 R HN 0.307 nan 8.270 nan 0.000 0.469 91 E N 1.449 121.588 120.200 -0.102 0.000 2.502 91 E HA -0.035 4.318 4.350 0.005 0.000 0.261 91 E C -0.496 176.026 176.600 -0.130 0.000 0.974 91 E CA 0.063 56.401 56.400 -0.103 0.000 0.936 91 E CB 0.497 30.150 29.700 -0.077 0.000 0.926 91 E HN 0.284 nan 8.360 nan 0.000 0.459 92 L N 4.041 125.155 121.223 -0.181 0.000 2.369 92 L HA 0.172 4.515 4.340 0.005 0.000 0.279 92 L C 0.255 177.066 176.870 -0.099 0.000 1.108 92 L CA 0.090 54.752 54.840 -0.296 0.000 0.852 92 L CB 0.888 42.545 42.059 -0.669 0.000 1.169 92 L HN 0.406 nan 8.230 nan 0.000 0.452 93 S N 1.640 117.328 115.700 -0.020 0.000 2.550 93 S HA 0.245 4.718 4.470 0.005 0.000 0.270 93 S C 0.397 174.997 174.600 0.000 0.000 1.145 93 S CA -0.673 57.574 58.200 0.077 0.000 0.852 93 S CB 1.734 64.944 63.200 0.017 0.000 1.119 93 S HN 0.728 nan 8.310 nan 0.000 0.465 94 E N 0.899 121.048 120.200 -0.085 0.000 2.274 94 E HA -0.063 4.290 4.350 0.005 0.000 0.194 94 E C -0.353 176.181 176.600 -0.110 0.000 0.996 94 E CA 0.536 56.807 56.400 -0.214 0.000 0.840 94 E CB 0.094 29.618 29.700 -0.293 0.000 0.772 94 E HN 0.571 nan 8.360 nan 0.000 0.491 95 D N 0.138 120.514 120.400 -0.040 0.000 2.435 95 D HA -0.012 4.631 4.640 0.005 0.000 0.230 95 D C 0.121 176.520 176.300 0.164 0.000 1.215 95 D CA -0.222 53.794 54.000 0.028 0.000 0.947 95 D CB 0.021 40.856 40.800 0.059 0.000 1.048 95 D HN 0.142 nan 8.370 nan 0.000 0.512 96 c N 2.412 121.075 118.600 0.105 0.000 4.095 96 c HA 0.329 4.902 4.570 0.005 0.000 0.327 96 c C 0.706 174.891 174.090 0.159 0.000 1.811 96 c CA -0.631 55.827 56.329 0.215 0.000 1.785 96 c CB -1.153 41.398 42.510 0.067 0.000 3.120 96 c HN 0.450 nan 8.230 nan 0.000 0.621 97 L N 2.545 123.602 121.223 -0.278 0.000 2.382 97 L HA 0.340 4.683 4.340 0.005 0.000 0.259 97 L C -0.956 175.328 176.870 -0.978 0.000 1.291 97 L CA 0.626 55.075 54.840 -0.652 0.000 1.176 97 L CB -0.811 40.682 42.059 -0.942 0.000 1.373 97 L HN 0.405 nan 8.230 nan 0.000 0.426 98 Y N 1.443 121.732 120.300 -0.018 0.000 2.499 98 Y HA 0.577 5.130 4.550 0.005 0.000 0.347 98 Y C 0.058 176.158 175.900 0.334 0.000 0.987 98 Y CA -1.200 56.961 58.100 0.101 0.000 1.044 98 Y CB 1.948 40.414 38.460 0.010 0.000 1.245 98 Y HN 0.186 nan 8.280 nan 0.000 0.461 99 L N 0.010 121.420 121.223 0.312 0.000 2.271 99 L HA 0.777 5.120 4.340 0.005 0.000 0.265 99 L C -1.044 175.808 176.870 -0.029 0.000 1.013 99 L CA -1.159 53.717 54.840 0.060 0.000 0.820 99 L CB 1.296 43.171 42.059 -0.306 0.000 1.352 99 L HN 0.458 nan 8.230 nan 0.000 0.443 100 N N -0.455 118.219 118.700 -0.043 0.000 2.225 100 N HA 0.702 5.445 4.740 0.005 0.000 0.298 100 N C -1.620 173.769 175.510 -0.202 0.000 1.076 100 N CA -0.382 52.566 53.050 -0.170 0.000 0.792 100 N CB 2.830 41.251 38.487 -0.110 0.000 1.498 100 N HN 0.481 nan 8.380 nan 0.000 0.474 101 V N 1.438 121.150 119.914 -0.338 0.000 2.577 101 V HA 0.476 4.599 4.120 0.005 0.000 0.303 101 V C -0.869 175.126 176.094 -0.166 0.000 1.042 101 V CA -0.764 61.432 62.300 -0.174 0.000 0.872 101 V CB 2.260 33.833 31.823 -0.417 0.000 0.998 101 V HN 0.546 nan 8.190 nan 0.000 0.423 102 W N 2.980 124.365 121.300 0.141 0.000 2.529 102 W HA 0.685 5.348 4.660 0.006 0.000 0.321 102 W C 0.116 176.736 176.519 0.168 0.000 1.047 102 W CA -0.442 56.991 57.345 0.147 0.000 1.216 102 W CB 2.457 31.986 29.460 0.116 0.000 1.357 102 W HN 0.650 nan 8.180 nan 0.000 0.489 103 T N 0.206 115.007 114.554 0.411 0.000 2.896 103 T HA 0.496 4.849 4.350 0.005 0.000 0.297 103 T C -2.767 172.111 174.700 0.297 0.000 1.108 103 T CA -2.467 59.834 62.100 0.335 0.000 1.004 103 T CB 2.249 71.337 68.868 0.366 0.000 1.159 103 T HN -0.101 nan 8.240 nan 0.000 0.499 104 P HA 0.080 nan 4.420 nan 0.000 0.271 104 P C -1.489 175.965 177.300 0.257 0.000 1.212 104 P CA 0.122 63.343 63.100 0.203 0.000 0.788 104 P CB 0.058 31.846 31.700 0.146 0.000 0.865 105 Y N 2.080 122.436 120.300 0.094 0.000 2.354 105 Y HA 0.412 4.965 4.550 0.005 0.000 0.330 105 Y C -2.315 173.621 175.900 0.060 0.000 1.011 105 Y CA -2.466 55.683 58.100 0.083 0.000 1.099 105 Y CB 1.308 39.804 38.460 0.060 0.000 1.179 105 Y HN 0.315 nan 8.280 nan 0.000 0.442 106 P HA 0.170 nan 4.420 nan 0.000 0.271 106 P C -0.796 176.446 177.300 -0.097 0.000 1.233 106 P CA -0.232 62.608 63.100 -0.434 0.000 0.789 106 P CB 1.014 32.530 31.700 -0.307 0.000 0.951 107 R N 1.091 121.564 120.500 -0.045 0.000 2.697 107 R HA 0.098 4.441 4.340 0.005 0.000 0.265 107 R C -1.673 174.659 176.300 0.053 0.000 1.009 107 R CA -0.947 55.201 56.100 0.081 0.000 1.099 107 R CB -0.814 29.556 30.300 0.116 0.000 0.965 107 R HN 0.465 nan 8.270 nan 0.000 0.428 108 P HA -0.095 nan 4.420 nan 0.000 0.264 108 P C -0.084 177.236 177.300 0.034 0.000 1.183 108 P CA 0.331 63.467 63.100 0.060 0.000 0.763 108 P CB 0.774 32.520 31.700 0.076 0.000 0.807 109 A N 3.976 126.808 122.820 0.020 0.000 1.851 109 A HA -0.108 4.215 4.320 0.005 0.000 0.216 109 A C 1.188 178.776 177.584 0.007 0.000 1.195 109 A CA 1.931 53.973 52.037 0.007 0.000 0.622 109 A CB -1.180 17.822 19.000 0.005 0.000 0.831 109 A HN 0.713 nan 8.150 nan 0.000 0.444 110 S N -0.269 115.438 115.700 0.012 0.000 2.608 110 S HA 0.566 5.039 4.470 0.005 0.000 0.291 110 S C -2.949 171.661 174.600 0.017 0.000 1.146 110 S CA -1.856 56.349 58.200 0.008 0.000 1.043 110 S CB 1.185 64.387 63.200 0.004 0.000 1.037 110 S HN 0.196 nan 8.310 nan 0.000 0.520 111 P HA 0.058 nan 4.420 nan 0.000 0.256 111 P C -0.483 176.832 177.300 0.024 0.000 1.173 111 P CA 0.396 63.508 63.100 0.020 0.000 0.768 111 P CB -0.414 31.289 31.700 0.005 0.000 0.758 112 T N 6.041 120.623 114.554 0.046 0.000 2.837 112 T HA 0.363 4.716 4.350 0.005 0.000 0.285 112 T C -2.332 172.399 174.700 0.051 0.000 0.984 112 T CA -1.845 60.284 62.100 0.048 0.000 1.049 112 T CB 0.543 69.454 68.868 0.072 0.000 0.947 112 T HN 0.185 nan 8.240 nan 0.000 0.472 113 P HA 0.119 nan 4.420 nan 0.000 0.264 113 P C -0.827 176.515 177.300 0.069 0.000 1.193 113 P CA -0.176 62.943 63.100 0.032 0.000 0.763 113 P CB 0.341 32.039 31.700 -0.003 0.000 0.810 114 V N 5.650 125.625 119.914 0.101 0.000 2.407 114 V HA 0.250 4.373 4.120 0.005 0.000 0.278 114 V C 0.401 176.584 176.094 0.148 0.000 1.037 114 V CA -0.392 61.993 62.300 0.142 0.000 0.900 114 V CB 0.953 32.877 31.823 0.168 0.000 0.983 114 V HN 0.361 nan 8.190 nan 0.000 0.459 115 L N 6.201 127.521 121.223 0.162 0.000 2.272 115 L HA 0.556 4.899 4.340 0.005 0.000 0.289 115 L C -0.413 176.699 176.870 0.403 0.000 1.032 115 L CA -0.166 54.789 54.840 0.192 0.000 0.810 115 L CB 1.332 43.377 42.059 -0.023 0.000 1.205 115 L HN 0.498 nan 8.230 nan 0.000 0.422 116 I N 3.082 123.915 120.570 0.438 0.000 2.312 116 I HA 0.167 4.340 4.170 0.005 0.000 0.290 116 I C -0.446 175.977 176.117 0.511 0.000 1.008 116 I CA -0.369 61.174 61.300 0.405 0.000 1.226 116 I CB 0.978 39.086 38.000 0.179 0.000 1.371 116 I HN 0.644 nan 8.210 nan 0.000 0.468 117 W N 8.517 129.957 121.300 0.233 0.000 2.322 117 W HA 0.506 5.168 4.660 0.004 0.000 0.307 117 W C -1.334 175.090 176.519 -0.159 0.000 1.220 117 W CA -0.583 56.649 57.345 -0.188 0.000 1.210 117 W CB 1.023 30.414 29.460 -0.116 0.000 1.223 117 W HN 0.372 nan 8.180 nan 0.000 0.511 118 I N 9.191 129.157 120.570 -1.006 0.000 2.354 118 I HA 0.071 4.244 4.170 0.005 0.000 0.286 118 I C -0.180 175.059 176.117 -1.463 0.000 1.007 118 I CA -1.134 59.599 61.300 -0.945 0.000 1.167 118 I CB 0.653 38.257 38.000 -0.661 0.000 1.320 118 I HN 0.300 nan 8.210 nan 0.000 0.458 119 Y N 4.626 124.358 120.300 -0.947 0.000 2.457 119 Y HA 0.631 5.183 4.550 0.005 0.000 0.341 119 Y C 0.811 176.477 175.900 -0.390 0.000 1.240 119 Y CA -0.770 56.894 58.100 -0.727 0.000 1.437 119 Y CB -0.068 38.217 38.460 -0.292 0.000 1.328 119 Y HN 0.544 nan 8.280 nan 0.000 0.588 120 G N -0.564 108.183 108.800 -0.088 0.000 2.543 120 G HA2 0.474 4.437 3.960 0.005 0.000 0.267 120 G HA3 0.474 4.437 3.960 0.005 0.000 0.267 120 G C 0.378 175.186 174.900 -0.154 0.000 1.406 120 G CA -0.875 44.098 45.100 -0.212 0.000 1.048 120 G HN 1.744 nan 8.290 nan 0.000 0.548 121 G N -2.981 105.517 108.800 -0.502 0.000 2.215 121 G HA2 0.398 4.361 3.960 0.005 0.000 0.187 121 G HA3 0.398 4.361 3.960 0.005 0.000 0.187 121 G C 1.069 175.248 174.900 -1.201 0.000 1.039 121 G CA 0.715 45.377 45.100 -0.731 0.000 0.771 121 G HN 2.308 nan 8.290 nan 0.000 0.507 122 G N -0.419 107.668 108.800 -1.190 0.000 2.233 122 G HA2 -0.121 3.842 3.960 0.005 0.000 0.270 122 G HA3 -0.121 3.842 3.960 0.005 0.000 0.270 122 G C 0.900 175.305 174.900 -0.825 0.000 1.011 122 G CA 0.781 44.873 45.100 -1.679 0.000 0.762 122 G HN 1.743 nan 8.290 nan 0.000 0.511 123 F N -3.404 116.287 119.950 -0.431 0.000 2.871 123 F HA -0.311 4.219 4.527 0.005 0.000 0.326 123 F C 1.435 177.300 175.800 0.108 0.000 0.675 123 F CA 2.177 60.106 58.000 -0.119 0.000 1.188 123 F CB -2.079 36.711 39.000 -0.351 0.000 1.567 123 F HN 0.942 nan 8.300 nan 0.000 0.325 124 Y N -1.419 118.939 120.300 0.096 0.000 2.527 124 Y HA 0.662 5.215 4.550 0.005 0.000 0.247 124 Y C 0.566 176.520 175.900 0.091 0.000 1.138 124 Y CA 0.141 58.330 58.100 0.149 0.000 1.228 124 Y CB -0.070 38.420 38.460 0.051 0.000 1.252 124 Y HN 0.083 nan 8.280 nan 0.000 0.531 125 S N -0.750 114.649 115.700 -0.502 0.000 2.688 125 S HA 0.896 5.369 4.470 0.005 0.000 0.275 125 S C -0.112 174.300 174.600 -0.314 0.000 1.175 125 S CA -0.523 57.468 58.200 -0.350 0.000 0.818 125 S CB 1.530 64.473 63.200 -0.429 0.000 1.157 125 S HN 1.402 nan 8.310 nan 0.000 0.482 126 G N -0.707 107.878 108.800 -0.358 0.000 2.497 126 G HA2 0.536 4.499 3.960 0.005 0.000 0.686 126 G HA3 0.536 4.499 3.960 0.005 0.000 0.686 126 G C -0.636 173.568 174.900 -1.160 0.000 1.288 126 G CA -0.302 44.419 45.100 -0.631 0.000 0.899 126 G HN 2.304 nan 8.290 nan 0.000 0.608 127 A N -1.190 120.730 122.820 -1.500 0.000 2.573 127 A HA 0.944 5.267 4.320 0.005 0.000 0.299 127 A C 0.495 177.844 177.584 -0.391 0.000 1.060 127 A CA 0.757 52.261 52.037 -0.890 0.000 0.736 127 A CB 0.785 19.527 19.000 -0.431 0.000 1.280 127 A HN 2.613 nan 8.150 nan 0.000 0.401 128 A N 0.904 123.750 122.820 0.044 0.000 2.239 128 A HA 0.275 4.598 4.320 0.005 0.000 0.209 128 A C 1.566 179.200 177.584 0.083 0.000 1.171 128 A CA 1.738 53.999 52.037 0.373 0.000 0.768 128 A CB -0.560 18.730 19.000 0.482 0.000 0.790 128 A HN 1.831 nan 8.150 nan 0.000 0.478 129 S N -0.757 114.735 115.700 -0.346 0.000 2.540 129 S HA 0.362 4.835 4.470 0.005 0.000 0.218 129 S C 0.434 174.543 174.600 -0.819 0.000 0.977 129 S CA -0.505 56.977 58.200 -1.196 0.000 0.918 129 S CB -0.463 62.013 63.200 -1.207 0.000 0.806 129 S HN 0.368 nan 8.310 nan 0.000 0.496 130 L N 2.224 123.141 121.223 -0.510 0.000 2.483 130 L HA 0.130 4.473 4.340 0.005 0.000 0.276 130 L C 1.180 177.699 176.870 -0.585 0.000 1.213 130 L CA -0.324 54.159 54.840 -0.594 0.000 0.843 130 L CB 0.178 41.728 42.059 -0.849 0.000 1.107 130 L HN 0.091 nan 8.230 nan 0.000 0.487 131 D N 0.990 121.091 120.400 -0.499 0.000 2.149 131 D HA -0.142 4.501 4.640 0.005 0.000 0.198 131 D C 1.974 177.985 176.300 -0.482 0.000 0.990 131 D CA 1.288 55.065 54.000 -0.372 0.000 0.839 131 D CB -0.022 40.601 40.800 -0.295 0.000 0.948 131 D HN 0.528 nan 8.370 nan 0.000 0.460 132 V N -1.363 118.107 119.914 -0.741 0.000 3.078 132 V HA -0.156 3.967 4.120 0.005 0.000 0.265 132 V C 1.214 176.671 176.094 -1.062 0.000 1.122 132 V CA 1.071 62.886 62.300 -0.809 0.000 1.141 132 V CB -1.117 30.174 31.823 -0.887 0.000 0.735 132 V HN 0.079 nan 8.190 nan 0.000 0.498 133 Y N 0.021 119.732 120.300 -0.983 0.000 2.458 133 Y HA 0.409 4.962 4.550 0.005 0.000 0.256 133 Y C 1.017 176.310 175.900 -1.012 0.000 1.159 133 Y CA -1.685 55.490 58.100 -1.541 0.000 1.261 133 Y CB -0.724 37.236 38.460 -0.834 0.000 1.119 133 Y HN 0.257 nan 8.280 nan 0.000 0.524 134 D N 0.980 121.071 120.400 -0.514 0.000 2.502 134 D HA -0.031 4.612 4.640 0.005 0.000 0.249 134 D C 1.434 177.332 176.300 -0.671 0.000 1.188 134 D CA 0.727 54.449 54.000 -0.464 0.000 0.890 134 D CB 1.143 41.838 40.800 -0.175 0.000 1.140 134 D HN 0.462 nan 8.370 nan 0.000 0.505 135 G N 4.122 111.770 108.800 -1.921 0.000 2.813 135 G HA2 -0.178 3.785 3.960 0.005 0.000 0.209 135 G HA3 -0.178 3.785 3.960 0.005 0.000 0.209 135 G C 1.536 175.863 174.900 -0.956 0.000 1.150 135 G CA 0.426 44.745 45.100 -1.301 0.000 0.785 135 G HN 0.640 nan 8.290 nan 0.000 0.535 136 R N -0.379 119.430 120.500 -1.152 0.000 2.091 136 R HA -0.093 4.250 4.340 0.005 0.000 0.238 136 R C 1.845 177.871 176.300 -0.457 0.000 1.136 136 R CA 1.637 57.367 56.100 -0.616 0.000 0.959 136 R CB -0.822 29.118 30.300 -0.599 0.000 0.856 136 R HN 0.315 nan 8.270 nan 0.000 0.437 137 F N 1.400 121.250 119.950 -0.167 0.000 2.113 137 F HA 0.006 4.536 4.527 0.006 0.000 0.297 137 F C 2.360 178.099 175.800 -0.102 0.000 1.103 137 F CA 0.869 58.800 58.000 -0.115 0.000 1.248 137 F CB -0.567 38.353 39.000 -0.133 0.000 0.999 137 F HN -0.110 nan 8.300 nan 0.000 0.475 138 L N -0.324 120.926 121.223 0.044 0.000 2.141 138 L HA -0.168 4.175 4.340 0.005 0.000 0.209 138 L C 2.670 179.548 176.870 0.014 0.000 1.094 138 L CA 0.990 55.818 54.840 -0.021 0.000 0.763 138 L CB -0.798 41.191 42.059 -0.116 0.000 0.908 138 L HN 0.191 nan 8.230 nan 0.000 0.437 139 A N -0.940 121.896 122.820 0.027 0.000 1.855 139 A HA -0.228 4.095 4.320 0.005 0.000 0.215 139 A C 2.264 179.897 177.584 0.082 0.000 1.191 139 A CA 1.398 53.493 52.037 0.098 0.000 0.613 139 A CB -0.494 18.620 19.000 0.190 0.000 0.829 139 A HN 0.348 nan 8.150 nan 0.000 0.442 140 Q N -0.067 119.761 119.800 0.047 0.000 2.046 140 Q HA -0.082 4.261 4.340 0.005 0.000 0.200 140 Q C 2.171 178.204 176.000 0.055 0.000 0.975 140 Q CA 2.095 57.930 55.803 0.053 0.000 0.836 140 Q CB -0.312 28.439 28.738 0.020 0.000 0.896 140 Q HN 0.399 nan 8.270 nan 0.000 0.428 141 V N 0.988 120.934 119.914 0.053 0.000 2.446 141 V HA -0.079 4.044 4.120 0.005 0.000 0.244 141 V C 1.760 177.871 176.094 0.028 0.000 1.039 141 V CA 1.393 63.719 62.300 0.042 0.000 1.045 141 V CB -0.120 31.728 31.823 0.041 0.000 0.681 141 V HN 0.208 nan 8.190 nan 0.000 0.459 142 E N -0.187 120.028 120.200 0.025 0.000 2.481 142 E HA 0.192 4.545 4.350 0.005 0.000 0.198 142 E C 1.721 178.339 176.600 0.030 0.000 1.027 142 E CA 0.679 57.089 56.400 0.016 0.000 0.900 142 E CB 0.496 30.195 29.700 -0.001 0.000 0.993 142 E HN 0.579 nan 8.360 nan 0.000 0.482 143 G N 1.672 110.501 108.800 0.048 0.000 2.168 143 G HA2 -0.330 3.633 3.960 0.005 0.000 0.257 143 G HA3 -0.330 3.633 3.960 0.005 0.000 0.257 143 G C 0.515 175.460 174.900 0.075 0.000 0.997 143 G CA 0.479 45.618 45.100 0.065 0.000 0.708 143 G HN 0.468 nan 8.290 nan 0.000 0.520 144 A N -0.630 122.232 122.820 0.071 0.000 2.388 144 A HA 0.678 5.001 4.320 0.005 0.000 0.257 144 A C 0.536 178.200 177.584 0.133 0.000 1.095 144 A CA 0.035 52.117 52.037 0.076 0.000 0.791 144 A CB 1.182 20.204 19.000 0.037 0.000 1.029 144 A HN 1.076 nan 8.150 nan 0.000 0.489 145 V N 3.691 123.693 119.914 0.146 0.000 2.353 145 V HA 0.215 4.338 4.120 0.005 0.000 0.264 145 V C 0.028 176.259 176.094 0.228 0.000 1.049 145 V CA 0.071 62.490 62.300 0.199 0.000 0.896 145 V CB 0.389 32.324 31.823 0.187 0.000 1.025 145 V HN 0.708 nan 8.190 nan 0.000 0.475 146 L N 6.654 128.065 121.223 0.314 0.000 2.282 146 L HA 0.655 4.998 4.340 0.005 0.000 0.288 146 L C -0.565 176.598 176.870 0.487 0.000 1.033 146 L CA -0.063 55.018 54.840 0.401 0.000 0.807 146 L CB 1.568 43.867 42.059 0.400 0.000 1.209 146 L HN 0.412 nan 8.230 nan 0.000 0.423 147 V N 3.577 123.753 119.914 0.436 0.000 2.540 147 V HA 0.634 4.757 4.120 0.005 0.000 0.302 147 V C -0.429 175.923 176.094 0.429 0.000 1.035 147 V CA -0.446 62.068 62.300 0.357 0.000 0.873 147 V CB 1.943 33.900 31.823 0.224 0.000 0.992 147 V HN 0.858 nan 8.190 nan 0.000 0.428 148 S N 5.590 121.549 115.700 0.431 0.000 2.536 148 S HA 0.883 5.356 4.470 0.005 0.000 0.287 148 S C -0.753 174.002 174.600 0.258 0.000 1.101 148 S CA -0.829 57.631 58.200 0.434 0.000 0.950 148 S CB 2.228 65.828 63.200 0.667 0.000 1.056 148 S HN 0.811 nan 8.310 nan 0.000 0.481 149 M N 1.309 121.013 119.600 0.173 0.000 2.602 149 M HA 0.633 5.116 4.480 0.005 0.000 0.312 149 M C -1.585 174.929 176.300 0.358 0.000 1.181 149 M CA -0.598 54.784 55.300 0.136 0.000 0.910 149 M CB 1.048 33.510 32.600 -0.231 0.000 1.723 149 M HN 0.523 nan 8.290 nan 0.000 0.459 150 N N 2.772 121.754 118.700 0.470 0.000 2.529 150 N HA 0.510 5.253 4.740 0.005 0.000 0.278 150 N C -1.332 174.463 175.510 0.475 0.000 1.146 150 N CA 0.136 53.483 53.050 0.496 0.000 0.980 150 N CB 0.422 39.124 38.487 0.358 0.000 1.124 150 N HN 0.717 nan 8.380 nan 0.000 0.458 151 Y N -1.719 118.755 120.300 0.289 0.000 2.545 151 Y HA 0.565 5.118 4.550 0.005 0.000 0.348 151 Y C -0.005 176.024 175.900 0.216 0.000 1.002 151 Y CA -1.371 56.852 58.100 0.206 0.000 1.039 151 Y CB 0.915 39.425 38.460 0.083 0.000 1.271 151 Y HN 0.194 nan 8.280 nan 0.000 0.467 152 R N 1.932 122.542 120.500 0.184 0.000 2.489 152 R HA 0.457 4.800 4.340 0.005 0.000 0.287 152 R C -0.288 176.133 176.300 0.202 0.000 1.053 152 R CA -0.169 56.001 56.100 0.116 0.000 1.036 152 R CB 0.686 31.030 30.300 0.074 0.000 0.966 152 R HN 0.715 nan 8.270 nan 0.000 0.432 153 V N 0.151 120.234 119.914 0.283 0.000 3.166 153 V HA 0.878 5.001 4.120 0.005 0.000 0.317 153 V C 0.830 177.268 176.094 0.573 0.000 1.136 153 V CA -0.149 62.451 62.300 0.501 0.000 1.035 153 V CB 1.186 33.182 31.823 0.288 0.000 1.110 153 V HN 0.968 nan 8.190 nan 0.000 0.450 154 G N 1.761 110.953 108.800 0.654 0.000 2.564 154 G HA2 -0.292 3.671 3.960 0.005 0.000 0.273 154 G HA3 -0.292 3.671 3.960 0.005 0.000 0.273 154 G C 1.001 176.097 174.900 0.328 0.000 1.242 154 G CA 1.474 46.894 45.100 0.534 0.000 0.951 154 G HN 2.316 nan 8.290 nan 0.000 0.564 155 T N -1.750 112.697 114.554 -0.178 0.000 2.699 155 T HA -0.125 4.228 4.350 0.005 0.000 0.268 155 T C 2.142 176.705 174.700 -0.229 0.000 1.036 155 T CA 2.658 64.394 62.100 -0.607 0.000 1.147 155 T CB -0.456 67.888 68.868 -0.872 0.000 0.862 155 T HN 0.646 nan 8.240 nan 0.000 0.446 156 F N 2.060 122.054 119.950 0.075 0.000 2.333 156 F HA 0.254 4.784 4.527 0.005 0.000 0.300 156 F C 2.656 178.421 175.800 -0.058 0.000 1.083 156 F CA 0.609 58.584 58.000 -0.042 0.000 1.395 156 F CB -0.775 38.177 39.000 -0.080 0.000 1.056 156 F HN 0.388 nan 8.300 nan 0.000 0.529 157 G N -2.020 106.814 108.800 0.058 0.000 2.762 157 G HA2 0.065 4.028 3.960 0.005 0.000 0.209 157 G HA3 0.065 4.028 3.960 0.005 0.000 0.209 157 G C 0.918 175.284 174.900 -0.889 0.000 1.134 157 G CA 0.219 45.048 45.100 -0.452 0.000 0.781 157 G HN 0.337 nan 8.290 nan 0.000 0.528 158 F N -0.698 119.359 119.950 0.178 0.000 2.925 158 F HA 0.423 4.953 4.527 0.006 0.000 0.359 158 F C 0.549 176.473 175.800 0.208 0.000 1.038 158 F CA -1.042 57.054 58.000 0.160 0.000 1.130 158 F CB 0.221 39.326 39.000 0.174 0.000 1.093 158 F HN -0.078 nan 8.300 nan 0.000 0.561 159 L N 2.162 123.486 121.223 0.169 0.000 2.540 159 L HA 0.446 4.789 4.340 0.005 0.000 0.276 159 L C -0.071 176.824 176.870 0.041 0.000 1.212 159 L CA 0.114 54.963 54.840 0.014 0.000 0.893 159 L CB 0.436 42.194 42.059 -0.503 0.000 1.138 159 L HN 0.131 nan 8.230 nan 0.000 0.491 160 A N 6.398 129.273 122.820 0.092 0.000 2.408 160 A HA 0.612 4.935 4.320 0.005 0.000 0.295 160 A C -1.101 176.484 177.584 0.002 0.000 1.040 160 A CA -0.588 51.473 52.037 0.040 0.000 0.707 160 A CB 1.160 20.212 19.000 0.087 0.000 1.235 160 A HN 0.696 nan 8.150 nan 0.000 0.418 161 L N 3.675 124.876 121.223 -0.037 0.000 2.360 161 L HA 0.323 4.666 4.340 0.005 0.000 0.265 161 L C -2.393 174.475 176.870 -0.003 0.000 1.066 161 L CA -1.842 52.983 54.840 -0.024 0.000 0.929 161 L CB 1.242 43.272 42.059 -0.049 0.000 1.306 161 L HN 0.400 nan 8.230 nan 0.000 0.434 162 P HA 0.069 nan 4.420 nan 0.000 0.265 162 P C 0.957 178.265 177.300 0.013 0.000 1.193 162 P CA 0.759 63.869 63.100 0.017 0.000 0.765 162 P CB 1.055 32.764 31.700 0.017 0.000 0.823 163 G N 1.742 110.553 108.800 0.018 0.000 2.420 163 G HA2 -0.262 3.701 3.960 0.005 0.000 0.221 163 G HA3 -0.262 3.701 3.960 0.005 0.000 0.221 163 G C 0.541 175.451 174.900 0.016 0.000 1.117 163 G CA 0.260 45.370 45.100 0.016 0.000 0.657 163 G HN 0.826 nan 8.290 nan 0.000 0.512 164 S N 0.356 116.063 115.700 0.011 0.000 2.587 164 S HA 0.497 4.970 4.470 0.005 0.000 0.260 164 S C 1.232 175.845 174.600 0.022 0.000 1.353 164 S CA 0.806 59.012 58.200 0.011 0.000 0.995 164 S CB 1.632 64.832 63.200 -0.001 0.000 0.912 164 S HN 0.594 nan 8.310 nan 0.000 0.568 165 R N -0.019 120.496 120.500 0.025 0.000 2.156 165 R HA 0.089 4.432 4.340 0.005 0.000 0.207 165 R C 1.268 177.595 176.300 0.045 0.000 1.040 165 R CA 0.869 56.989 56.100 0.034 0.000 1.013 165 R CB -0.123 30.196 30.300 0.031 0.000 0.931 165 R HN 0.808 nan 8.270 nan 0.000 0.465 166 E N -0.703 119.523 120.200 0.043 0.000 2.400 166 E HA 0.152 4.505 4.350 0.005 0.000 0.195 166 E C -0.305 176.351 176.600 0.093 0.000 1.012 166 E CA 0.439 56.880 56.400 0.069 0.000 0.875 166 E CB 1.323 31.060 29.700 0.061 0.000 0.859 166 E HN 0.207 nan 8.360 nan 0.000 0.498 167 A N 1.161 124.005 122.820 0.041 0.000 3.307 167 A HA 0.284 4.607 4.320 0.005 0.000 0.289 167 A C -2.275 175.321 177.584 0.020 0.000 1.138 167 A CA -0.917 51.134 52.037 0.024 0.000 0.860 167 A CB 0.494 19.406 19.000 -0.147 0.000 1.318 167 A HN -0.097 nan 8.150 nan 0.000 0.551 168 P HA 0.164 nan 4.420 nan 0.000 0.242 168 P C 0.925 178.256 177.300 0.051 0.000 1.197 168 P CA 1.664 64.792 63.100 0.047 0.000 0.765 168 P CB 0.066 31.802 31.700 0.059 0.000 0.936 169 G N 1.132 109.962 108.800 0.051 0.000 2.781 169 G HA2 -0.220 3.743 3.960 0.005 0.000 0.683 169 G HA3 -0.220 3.743 3.960 0.005 0.000 0.683 169 G C 0.007 174.926 174.900 0.032 0.000 1.390 169 G CA -0.288 44.849 45.100 0.061 0.000 0.850 169 G HN 0.149 nan 8.290 nan 0.000 0.557 170 N N -2.464 116.260 118.700 0.040 0.000 2.713 170 N HA -0.290 4.453 4.740 0.005 0.000 0.251 170 N C 1.869 177.254 175.510 -0.208 0.000 1.117 170 N CA 2.442 55.448 53.050 -0.073 0.000 0.770 170 N CB -1.633 36.732 38.487 -0.204 0.000 1.137 170 N HN 1.934 nan 8.380 nan 0.000 0.566 171 V N -2.796 116.992 119.914 -0.209 0.000 2.759 171 V HA 0.036 4.159 4.120 0.005 0.000 0.256 171 V C 2.238 178.214 176.094 -0.197 0.000 1.080 171 V CA 2.195 64.412 62.300 -0.137 0.000 1.101 171 V CB -0.757 31.033 31.823 -0.056 0.000 0.698 171 V HN 0.273 nan 8.190 nan 0.000 0.477 172 G N 0.387 108.865 108.800 -0.537 0.000 2.422 172 G HA2 -0.083 3.880 3.960 0.005 0.000 0.218 172 G HA3 -0.083 3.880 3.960 0.005 0.000 0.218 172 G C 1.515 176.401 174.900 -0.024 0.000 1.140 172 G CA 0.967 45.874 45.100 -0.322 0.000 0.775 172 G HN 0.533 nan 8.290 nan 0.000 0.545 173 L N -0.133 121.013 121.223 -0.128 0.000 2.156 173 L HA 0.090 4.433 4.340 0.005 0.000 0.208 173 L C 2.768 179.665 176.870 0.046 0.000 1.095 173 L CA 0.352 55.056 54.840 -0.226 0.000 0.770 173 L CB -0.262 41.245 42.059 -0.921 0.000 0.914 173 L HN 0.186 nan 8.230 nan 0.000 0.439 174 L N -0.609 120.651 121.223 0.061 0.000 2.156 174 L HA -0.167 4.176 4.340 0.005 0.000 0.208 174 L C 2.179 179.192 176.870 0.238 0.000 1.095 174 L CA 0.758 55.735 54.840 0.228 0.000 0.770 174 L CB -0.541 41.624 42.059 0.176 0.000 0.914 174 L HN 0.270 nan 8.230 nan 0.000 0.439 175 D N 0.054 120.586 120.400 0.219 0.000 2.104 175 D HA -0.213 4.430 4.640 0.005 0.000 0.194 175 D C 2.230 178.731 176.300 0.335 0.000 0.994 175 D CA 1.214 55.445 54.000 0.385 0.000 0.830 175 D CB -0.233 40.802 40.800 0.392 0.000 0.959 175 D HN 0.393 nan 8.370 nan 0.000 0.452 176 Q N 0.174 120.085 119.800 0.185 0.000 2.061 176 Q HA -0.151 4.192 4.340 0.005 0.000 0.204 176 Q C 2.311 178.310 176.000 -0.002 0.000 0.984 176 Q CA 1.179 56.997 55.803 0.025 0.000 0.846 176 Q CB -0.109 28.654 28.738 0.043 0.000 0.902 176 Q HN 0.205 nan 8.270 nan 0.000 0.421 177 R N 0.516 121.138 120.500 0.203 0.000 2.096 177 R HA -0.175 4.168 4.340 0.005 0.000 0.235 177 R C 2.193 178.569 176.300 0.126 0.000 1.127 177 R CA 0.999 57.205 56.100 0.175 0.000 0.968 177 R CB -0.217 30.297 30.300 0.356 0.000 0.861 177 R HN 0.217 nan 8.270 nan 0.000 0.440 178 L N 0.735 122.073 121.223 0.191 0.000 2.046 178 L HA -0.047 4.296 4.340 0.005 0.000 0.208 178 L C 2.269 179.235 176.870 0.159 0.000 1.077 178 L CA 2.147 57.138 54.840 0.251 0.000 0.747 178 L CB -0.726 41.583 42.059 0.415 0.000 0.896 178 L HN 0.264 nan 8.230 nan 0.000 0.432 179 A N -0.671 122.020 122.820 -0.214 0.000 1.933 179 A HA -0.145 4.178 4.320 0.005 0.000 0.218 179 A C 2.222 179.755 177.584 -0.085 0.000 1.175 179 A CA 1.809 53.518 52.037 -0.547 0.000 0.628 179 A CB -0.768 17.600 19.000 -1.053 0.000 0.814 179 A HN 0.508 nan 8.150 nan 0.000 0.444 180 L N -1.177 120.009 121.223 -0.061 0.000 2.056 180 L HA -0.242 4.101 4.340 0.005 0.000 0.207 180 L C 2.849 179.776 176.870 0.096 0.000 1.078 180 L CA 1.661 56.506 54.840 0.007 0.000 0.749 180 L CB -0.918 41.102 42.059 -0.065 0.000 0.901 180 L HN 0.477 nan 8.230 nan 0.000 0.433 181 Q N -0.793 119.075 119.800 0.114 0.000 2.061 181 Q HA -0.280 4.063 4.340 0.005 0.000 0.204 181 Q C 2.036 178.138 176.000 0.171 0.000 0.984 181 Q CA 2.260 58.141 55.803 0.130 0.000 0.846 181 Q CB -0.347 28.474 28.738 0.139 0.000 0.902 181 Q HN 0.507 nan 8.270 nan 0.000 0.421 182 W N 0.300 121.629 121.300 0.047 0.000 2.321 182 W HA -0.254 4.408 4.660 0.005 0.000 0.306 182 W C 1.873 178.432 176.519 0.066 0.000 1.217 182 W CA 1.477 58.866 57.345 0.075 0.000 1.257 182 W CB -0.108 29.401 29.460 0.082 0.000 1.145 182 W HN -0.108 nan 8.180 nan 0.000 0.509 183 V N 0.557 120.702 119.914 0.384 0.000 2.427 183 V HA -0.307 3.816 4.120 0.005 0.000 0.248 183 V C 2.503 178.636 176.094 0.065 0.000 1.051 183 V CA 1.872 64.335 62.300 0.271 0.000 1.048 183 V CB -0.904 31.081 31.823 0.269 0.000 0.666 183 V HN 0.181 nan 8.190 nan 0.000 0.456 184 Q N -0.159 119.677 119.800 0.060 0.000 2.061 184 Q HA -0.242 4.102 4.340 0.005 0.000 0.204 184 Q C 2.267 178.243 176.000 -0.040 0.000 0.984 184 Q CA 1.840 57.660 55.803 0.027 0.000 0.846 184 Q CB -0.268 28.491 28.738 0.035 0.000 0.902 184 Q HN 0.692 nan 8.270 nan 0.000 0.421 185 E N -0.316 119.821 120.200 -0.106 0.000 2.112 185 E HA -0.057 4.296 4.350 0.005 0.000 0.190 185 E C 1.216 177.663 176.600 -0.255 0.000 0.979 185 E CA 0.475 56.778 56.400 -0.163 0.000 0.814 185 E CB 0.329 29.925 29.700 -0.173 0.000 0.762 185 E HN 0.335 nan 8.360 nan 0.000 0.460 186 N N 0.170 118.606 118.700 -0.441 0.000 2.294 186 N HA -0.025 4.718 4.740 0.005 0.000 0.186 186 N C 1.611 176.989 175.510 -0.221 0.000 1.107 186 N CA 0.047 52.771 53.050 -0.543 0.000 0.884 186 N CB 0.334 38.044 38.487 -1.294 0.000 1.030 186 N HN 0.094 nan 8.380 nan 0.000 0.482 187 I N 2.358 122.874 120.570 -0.090 0.000 2.454 187 I HA -0.118 4.055 4.170 0.005 0.000 0.254 187 I C 2.104 178.333 176.117 0.187 0.000 1.156 187 I CA 0.452 61.861 61.300 0.182 0.000 1.433 187 I CB -0.397 37.700 38.000 0.161 0.000 1.082 187 I HN 0.042 nan 8.210 nan 0.000 0.432 188 A N 0.094 122.938 122.820 0.040 0.000 2.015 188 A HA -0.051 4.272 4.320 0.005 0.000 0.219 188 A C 2.461 180.019 177.584 -0.043 0.000 1.163 188 A CA 1.373 53.416 52.037 0.009 0.000 0.646 188 A CB -0.969 18.014 19.000 -0.028 0.000 0.806 188 A HN 0.443 nan 8.150 nan 0.000 0.448 189 A N -1.415 121.321 122.820 -0.140 0.000 2.125 189 A HA 0.063 4.386 4.320 0.005 0.000 0.219 189 A C 1.448 178.733 177.584 -0.498 0.000 1.156 189 A CA 1.166 52.985 52.037 -0.363 0.000 0.671 189 A CB -0.630 18.036 19.000 -0.556 0.000 0.794 189 A HN 0.510 nan 8.150 nan 0.000 0.459 190 F N -1.558 118.342 119.950 -0.083 0.000 2.678 190 F HA 0.397 4.927 4.527 0.005 0.000 0.305 190 F C 1.753 177.565 175.800 0.020 0.000 1.090 190 F CA 0.444 58.417 58.000 -0.044 0.000 1.272 190 F CB 0.329 39.319 39.000 -0.016 0.000 1.060 190 F HN 0.307 nan 8.300 nan 0.000 0.576 191 G N 0.314 109.191 108.800 0.129 0.000 2.176 191 G HA2 -0.212 3.751 3.960 0.005 0.000 0.253 191 G HA3 -0.212 3.751 3.960 0.005 0.000 0.253 191 G C 0.729 175.701 174.900 0.120 0.000 0.979 191 G CA -0.243 44.917 45.100 0.101 0.000 0.641 191 G HN 0.719 nan 8.290 nan 0.000 0.530 192 G N -0.166 108.733 108.800 0.166 0.000 2.442 192 G HA2 0.428 4.391 3.960 0.005 0.000 0.249 192 G HA3 0.428 4.391 3.960 0.005 0.000 0.249 192 G C -0.417 174.540 174.900 0.094 0.000 1.263 192 G CA 0.500 45.686 45.100 0.143 0.000 0.846 192 G HN 0.288 nan 8.290 nan 0.000 0.555 193 D N 2.336 122.781 120.400 0.076 0.000 2.428 193 D HA 0.251 4.894 4.640 0.005 0.000 0.221 193 D C -1.131 175.210 176.300 0.068 0.000 1.123 193 D CA -2.470 51.557 54.000 0.045 0.000 0.869 193 D CB 1.737 42.545 40.800 0.013 0.000 1.032 193 D HN 0.082 nan 8.370 nan 0.000 0.506 194 P HA -0.082 nan 4.420 nan 0.000 0.231 194 P C 1.067 178.487 177.300 0.201 0.000 1.158 194 P CA 0.688 63.860 63.100 0.121 0.000 0.763 194 P CB 0.112 31.856 31.700 0.074 0.000 0.805 195 M N -1.669 117.970 119.600 0.065 0.000 2.495 195 M HA 0.120 4.603 4.480 0.005 0.000 0.237 195 M C 0.659 176.628 176.300 -0.553 0.000 1.131 195 M CA 0.504 55.721 55.300 -0.139 0.000 1.032 195 M CB 0.181 32.693 32.600 -0.147 0.000 1.513 195 M HN -0.173 nan 8.290 nan 0.000 0.488 196 S N 1.229 116.840 115.700 -0.148 0.000 2.293 196 S HA 0.398 4.871 4.470 0.005 0.000 0.154 196 S C -0.941 173.770 174.600 0.184 0.000 1.602 196 S CA -0.399 57.753 58.200 -0.081 0.000 1.260 196 S CB 0.509 63.657 63.200 -0.088 0.000 1.270 196 S HN 0.033 nan 8.310 nan 0.000 0.416 197 V N 3.860 124.082 119.914 0.513 0.000 2.334 197 V HA 0.470 4.593 4.120 0.005 0.000 0.281 197 V C 0.125 176.407 176.094 0.314 0.000 1.016 197 V CA -0.392 62.110 62.300 0.337 0.000 0.832 197 V CB 1.601 33.583 31.823 0.265 0.000 0.999 197 V HN 0.669 nan 8.190 nan 0.000 0.439 198 T N 6.808 121.498 114.554 0.228 0.000 2.767 198 T HA 0.571 4.924 4.350 0.005 0.000 0.284 198 T C -0.066 174.782 174.700 0.247 0.000 0.973 198 T CA -0.296 61.944 62.100 0.233 0.000 0.996 198 T CB 0.806 69.765 68.868 0.151 0.000 0.927 198 T HN 0.327 nan 8.240 nan 0.000 0.456 199 L N 4.858 126.195 121.223 0.190 0.000 2.371 199 L HA 0.640 4.984 4.340 0.005 0.000 0.272 199 L C -0.383 176.692 176.870 0.343 0.000 1.124 199 L CA -0.717 54.190 54.840 0.113 0.000 0.816 199 L CB 0.322 42.210 42.059 -0.285 0.000 1.129 199 L HN 0.636 nan 8.230 nan 0.000 0.448 200 F N 0.405 120.406 119.950 0.084 0.000 2.619 200 F HA 0.930 5.459 4.527 0.004 0.000 0.308 200 F C -0.399 175.332 175.800 -0.114 0.000 1.097 200 F CA -1.516 56.580 58.000 0.159 0.000 0.953 200 F CB 1.498 40.765 39.000 0.445 0.000 1.287 200 F HN 0.453 nan 8.300 nan 0.000 0.446 201 G N 1.422 110.008 108.800 -0.357 0.000 2.673 201 G HA2 0.514 4.477 3.960 0.005 0.000 0.292 201 G HA3 0.514 4.477 3.960 0.005 0.000 0.292 201 G C -2.438 172.175 174.900 -0.477 0.000 1.450 201 G CA -0.695 43.771 45.100 -1.057 0.000 0.837 201 G HN 0.881 nan 8.290 nan 0.000 0.505 205 G N 0.627 109.150 108.800 -0.462 0.000 2.418 205 G HA2 0.107 4.070 3.960 0.005 0.000 0.217 205 G HA3 0.107 4.070 3.960 0.005 0.000 0.217 205 G C 1.664 176.343 174.900 -0.368 0.000 1.158 205 G CA 1.801 46.590 45.100 -0.517 0.000 0.771 205 G HN 1.241 nan 8.290 nan 0.000 0.545 206 A N 1.178 123.856 122.820 -0.236 0.000 1.902 206 A HA 0.272 4.595 4.320 0.005 0.000 0.217 206 A C 2.825 180.368 177.584 -0.068 0.000 1.181 206 A CA 2.251 54.225 52.037 -0.105 0.000 0.623 206 A CB -0.807 18.197 19.000 0.007 0.000 0.818 206 A HN 0.779 nan 8.150 nan 0.000 0.443 207 A N -0.448 122.360 122.820 -0.020 0.000 1.877 207 A HA -0.094 4.229 4.320 0.005 0.000 0.216 207 A C 2.446 180.014 177.584 -0.027 0.000 1.186 207 A CA 2.125 54.144 52.037 -0.031 0.000 0.620 207 A CB -1.007 18.003 19.000 0.017 0.000 0.822 207 A HN 0.456 nan 8.150 nan 0.000 0.443 208 S N -0.406 115.279 115.700 -0.025 0.000 2.365 208 S HA -0.186 4.287 4.470 0.005 0.000 0.225 208 S C 1.913 176.444 174.600 -0.115 0.000 1.039 208 S CA 1.587 59.717 58.200 -0.117 0.000 1.033 208 S CB -0.674 62.377 63.200 -0.249 0.000 0.887 208 S HN 0.352 nan 8.310 nan 0.000 0.447 209 V N 1.632 121.489 119.914 -0.095 0.000 2.282 209 V HA -0.218 3.905 4.120 0.005 0.000 0.249 209 V C 2.644 178.708 176.094 -0.050 0.000 1.057 209 V CA 2.082 64.335 62.300 -0.078 0.000 1.032 209 V CB -1.574 30.178 31.823 -0.118 0.000 0.645 209 V HN 0.614 nan 8.190 nan 0.000 0.447 210 G N -0.429 108.339 108.800 -0.053 0.000 2.440 210 G HA2 -0.278 3.685 3.960 0.005 0.000 0.218 210 G HA3 -0.278 3.685 3.960 0.005 0.000 0.218 210 G C 1.504 176.406 174.900 0.004 0.000 1.154 210 G CA 1.264 46.343 45.100 -0.036 0.000 0.767 210 G HN 0.378 nan 8.290 nan 0.000 0.552 211 M N 0.287 119.865 119.600 -0.038 0.000 2.149 211 M HA -0.056 4.427 4.480 0.005 0.000 0.261 211 M C 2.243 178.618 176.300 0.126 0.000 1.064 211 M CA 1.120 56.437 55.300 0.027 0.000 1.102 211 M CB -1.350 31.203 32.600 -0.078 0.000 1.369 211 M HN 0.271 nan 8.290 nan 0.000 0.408 212 H N 0.177 119.353 119.070 0.177 0.000 2.357 212 H HA 0.058 4.617 4.556 0.005 0.000 0.301 212 H C 2.321 177.845 175.328 0.326 0.000 1.082 212 H CA 1.289 57.444 56.048 0.177 0.000 1.342 212 H CB -0.383 29.324 29.762 -0.092 0.000 1.389 212 H HN 0.369 nan 8.280 nan 0.000 0.511 213 I N 0.769 121.609 120.570 0.450 0.000 2.194 213 I HA -0.280 3.893 4.170 0.005 0.000 0.246 213 I C 2.096 178.417 176.117 0.340 0.000 1.093 213 I CA 1.196 62.798 61.300 0.502 0.000 1.355 213 I CB -0.182 37.986 38.000 0.280 0.000 1.046 213 I HN 0.132 nan 8.210 nan 0.000 0.413 214 L N -0.802 120.561 121.223 0.234 0.000 2.554 214 L HA 0.043 4.386 4.340 0.005 0.000 0.226 214 L C 1.033 177.959 176.870 0.094 0.000 1.137 214 L CA 0.082 55.038 54.840 0.192 0.000 0.863 214 L CB -0.051 42.092 42.059 0.139 0.000 0.985 214 L HN 0.060 nan 8.230 nan 0.000 0.451 215 S N 0.074 115.794 115.700 0.034 0.000 2.474 215 S HA 0.215 4.688 4.470 0.005 0.000 0.321 215 S C 1.023 175.550 174.600 -0.121 0.000 1.080 215 S CA -0.637 57.454 58.200 -0.181 0.000 1.106 215 S CB 0.987 63.760 63.200 -0.711 0.000 0.984 215 S HN 0.055 nan 8.310 nan 0.000 0.464 216 L N 6.497 127.657 121.223 -0.105 0.000 1.976 216 L HA -0.050 4.293 4.340 0.005 0.000 0.223 216 L C -0.855 175.971 176.870 -0.074 0.000 1.081 216 L CA 2.525 57.320 54.840 -0.074 0.000 0.784 216 L CB -2.234 39.781 42.059 -0.073 0.000 0.896 216 L HN 0.527 nan 8.230 nan 0.000 0.438 217 P HA -0.071 nan 4.420 nan 0.000 0.223 217 P C 1.757 179.048 177.300 -0.014 0.000 1.144 217 P CA 1.052 64.114 63.100 -0.064 0.000 0.783 217 P CB 0.111 31.764 31.700 -0.078 0.000 0.771 218 S N -1.263 114.447 115.700 0.018 0.000 2.458 218 S HA 0.033 4.506 4.470 0.005 0.000 0.223 218 S C 1.839 176.564 174.600 0.208 0.000 1.019 218 S CA 0.289 58.607 58.200 0.197 0.000 0.937 218 S CB -0.298 63.157 63.200 0.425 0.000 0.788 218 S HN 0.108 nan 8.310 nan 0.000 0.511 219 R N 1.660 122.179 120.500 0.032 0.000 2.091 219 R HA -0.074 4.269 4.340 0.005 0.000 0.238 219 R C 2.402 178.474 176.300 -0.381 0.000 1.136 219 R CA 1.678 57.632 56.100 -0.243 0.000 0.959 219 R CB -1.053 29.160 30.300 -0.145 0.000 0.856 219 R HN 0.541 nan 8.270 nan 0.000 0.437 220 S N 0.266 115.855 115.700 -0.185 0.000 2.607 220 S HA 0.056 4.529 4.470 0.005 0.000 0.224 220 S C 1.737 176.236 174.600 -0.169 0.000 0.969 220 S CA 0.319 58.418 58.200 -0.167 0.000 0.927 220 S CB -0.138 63.017 63.200 -0.077 0.000 0.772 220 S HN 0.243 nan 8.310 nan 0.000 0.533 221 L N 0.025 121.171 121.223 -0.128 0.000 2.590 221 L HA 0.452 4.795 4.340 0.005 0.000 0.227 221 L C 0.211 177.082 176.870 0.002 0.000 1.099 221 L CA -0.205 54.632 54.840 -0.006 0.000 0.872 221 L CB -0.007 42.112 42.059 0.101 0.000 1.088 221 L HN 0.539 nan 8.230 nan 0.000 0.479 222 F N -4.110 115.624 119.950 -0.361 0.000 2.745 222 F HA 0.491 5.020 4.527 0.004 0.000 0.316 222 F C 0.494 175.916 175.800 -0.630 0.000 1.155 222 F CA -0.987 56.752 58.000 -0.435 0.000 0.937 222 F CB 0.821 39.735 39.000 -0.143 0.000 1.361 222 F HN -0.163 nan 8.300 nan 0.000 0.472 223 H N -0.779 118.320 119.070 0.049 0.000 3.266 223 H HA 0.445 5.004 4.556 0.005 0.000 0.246 223 H C -0.204 175.144 175.328 0.035 0.000 0.998 223 H CA -0.005 56.001 56.048 -0.070 0.000 1.152 223 H CB 0.972 30.707 29.762 -0.045 0.000 1.466 223 H HN 0.430 nan 8.280 nan 0.000 0.481 224 R N 0.275 120.967 120.500 0.320 0.000 2.740 224 R HA 0.705 5.048 4.340 0.005 0.000 0.273 224 R C -1.415 175.170 176.300 0.475 0.000 0.998 224 R CA -0.665 55.611 56.100 0.293 0.000 0.900 224 R CB 2.972 33.241 30.300 -0.051 0.000 1.223 224 R HN 0.134 nan 8.270 nan 0.000 0.466 225 A N 1.654 124.769 122.820 0.490 0.000 2.398 225 A HA 0.633 4.956 4.320 0.005 0.000 0.301 225 A C -1.273 176.446 177.584 0.225 0.000 1.041 225 A CA -0.602 51.626 52.037 0.317 0.000 0.711 225 A CB 1.707 20.857 19.000 0.250 0.000 1.240 225 A HN 0.328 nan 8.150 nan 0.000 0.420 226 V N 2.711 122.720 119.914 0.160 0.000 2.448 226 V HA 0.481 4.604 4.120 0.005 0.000 0.295 226 V C -0.937 175.238 176.094 0.135 0.000 1.025 226 V CA -0.346 61.972 62.300 0.030 0.000 0.859 226 V CB 1.254 33.093 31.823 0.025 0.000 0.988 226 V HN 0.691 nan 8.190 nan 0.000 0.431 227 L N 5.265 126.536 121.223 0.079 0.000 2.337 227 L HA 0.463 4.806 4.340 0.005 0.000 0.269 227 L C 0.131 177.095 176.870 0.156 0.000 1.018 227 L CA 0.109 54.995 54.840 0.076 0.000 0.876 227 L CB 1.295 43.351 42.059 -0.005 0.000 1.236 227 L HN 0.626 nan 8.230 nan 0.000 0.436 228 Q N 1.792 121.753 119.800 0.269 0.000 2.314 228 Q HA 0.357 4.700 4.340 0.005 0.000 0.257 228 Q C 0.383 176.501 176.000 0.197 0.000 0.975 228 Q CA -0.396 55.633 55.803 0.376 0.000 0.933 228 Q CB 0.896 29.955 28.738 0.535 0.000 1.195 228 Q HN 0.602 nan 8.270 nan 0.000 0.426 229 S N 1.063 116.862 115.700 0.164 0.000 3.614 229 S HA -0.174 4.299 4.470 0.005 0.000 0.360 229 S C 0.048 174.821 174.600 0.289 0.000 1.023 229 S CA 0.539 58.851 58.200 0.186 0.000 1.114 229 S CB -1.184 62.064 63.200 0.080 0.000 0.907 229 S HN 0.979 nan 8.310 nan 0.000 0.470 230 G N -0.408 108.525 108.800 0.222 0.000 2.616 230 G HA2 0.664 4.627 3.960 0.005 0.000 0.294 230 G HA3 0.664 4.627 3.960 0.005 0.000 0.294 230 G C -0.913 174.047 174.900 0.101 0.000 1.489 230 G CA 0.184 45.476 45.100 0.319 0.000 0.836 230 G HN 0.937 nan 8.290 nan 0.000 0.527 231 T N -1.333 113.215 114.554 -0.009 0.000 2.889 231 T HA 0.736 5.089 4.350 0.005 0.000 0.315 231 T C -2.522 172.011 174.700 -0.280 0.000 1.291 231 T CA -1.376 60.639 62.100 -0.142 0.000 1.028 231 T CB 3.050 71.823 68.868 -0.158 0.000 1.235 231 T HN 0.260 nan 8.240 nan 0.000 0.491 232 P HA 0.050 nan 4.420 nan 0.000 0.227 232 P C 0.252 177.375 177.300 -0.296 0.000 1.161 232 P CA 0.461 63.413 63.100 -0.246 0.000 0.788 232 P CB -0.023 31.595 31.700 -0.137 0.000 0.822 233 N N 0.695 119.243 118.700 -0.253 0.000 2.408 233 N HA 0.344 5.087 4.740 0.005 0.000 0.260 233 N C 0.634 175.934 175.510 -0.351 0.000 1.242 233 N CA 0.426 53.333 53.050 -0.239 0.000 0.959 233 N CB 0.369 38.762 38.487 -0.156 0.000 1.201 233 N HN 0.169 nan 8.380 nan 0.000 0.511 234 G N -0.796 107.817 108.800 -0.311 0.000 2.541 234 G HA2 -0.097 3.866 3.960 0.005 0.000 0.686 234 G HA3 -0.097 3.866 3.960 0.005 0.000 0.686 234 G C -2.442 172.205 174.900 -0.421 0.000 1.286 234 G CA -0.289 44.577 45.100 -0.390 0.000 0.894 234 G HN 0.541 nan 8.290 nan 0.000 0.575 235 P HA 0.137 nan 4.420 nan 0.000 0.249 235 P C 1.291 178.519 177.300 -0.119 0.000 1.229 235 P CA 1.662 64.625 63.100 -0.228 0.000 0.788 235 P CB -0.067 31.470 31.700 -0.271 0.000 1.072 236 W N -1.871 119.329 121.300 -0.167 0.000 2.942 236 W HA 0.512 5.174 4.660 0.003 0.000 0.260 236 W C 1.131 177.714 176.519 0.108 0.000 1.101 236 W CA 0.476 57.803 57.345 -0.030 0.000 1.436 236 W CB -0.796 28.687 29.460 0.039 0.000 0.883 236 W HN -0.173 nan 8.180 nan 0.000 0.646 237 A N 2.092 124.469 122.820 -0.739 0.000 2.066 237 A HA 0.083 4.406 4.320 0.005 0.000 0.218 237 A C 1.166 178.557 177.584 -0.321 0.000 1.157 237 A CA 1.985 53.672 52.037 -0.583 0.000 0.670 237 A CB -0.891 17.539 19.000 -0.950 0.000 0.804 237 A HN 0.289 nan 8.150 nan 0.000 0.453 238 T N -3.424 110.969 114.554 -0.267 0.000 2.864 238 T HA 0.605 4.958 4.350 0.005 0.000 0.299 238 T C -0.688 173.929 174.700 -0.140 0.000 1.166 238 T CA -0.143 61.823 62.100 -0.224 0.000 1.007 238 T CB 1.492 70.241 68.868 -0.199 0.000 1.219 238 T HN 0.848 nan 8.240 nan 0.000 0.506 239 V N -0.906 118.937 119.914 -0.118 0.000 2.914 239 V HA 0.883 5.006 4.120 0.005 0.000 0.314 239 V C 0.397 176.453 176.094 -0.063 0.000 1.084 239 V CA -0.897 61.355 62.300 -0.080 0.000 0.963 239 V CB 1.298 33.076 31.823 -0.076 0.000 1.025 239 V HN 1.361 nan 8.190 nan 0.000 0.432 240 S N 2.162 117.833 115.700 -0.049 0.000 2.580 240 S HA 0.469 4.942 4.470 0.005 0.000 0.266 240 S C 1.485 176.070 174.600 -0.024 0.000 1.354 240 S CA 0.142 58.321 58.200 -0.035 0.000 1.008 240 S CB 1.038 64.220 63.200 -0.030 0.000 0.898 240 S HN 1.953 nan 8.310 nan 0.000 0.555 241 A N 2.367 125.179 122.820 -0.014 0.000 1.917 241 A HA 0.046 4.369 4.320 0.005 0.000 0.219 241 A C 2.243 179.823 177.584 -0.006 0.000 1.182 241 A CA 1.951 53.986 52.037 -0.004 0.000 0.633 241 A CB -1.880 17.121 19.000 0.001 0.000 0.819 241 A HN 1.174 nan 8.150 nan 0.000 0.448 242 G N -0.575 108.218 108.800 -0.011 0.000 2.421 242 G HA2 -0.232 3.731 3.960 0.005 0.000 0.216 242 G HA3 -0.232 3.731 3.960 0.005 0.000 0.216 242 G C 1.478 176.368 174.900 -0.017 0.000 1.171 242 G CA 1.386 46.479 45.100 -0.012 0.000 0.775 242 G HN 0.589 nan 8.290 nan 0.000 0.543 243 E N 1.109 121.294 120.200 -0.025 0.000 2.072 243 E HA 0.052 4.405 4.350 0.005 0.000 0.191 243 E C 2.675 179.248 176.600 -0.045 0.000 0.985 243 E CA 1.501 57.878 56.400 -0.038 0.000 0.801 243 E CB -0.647 29.025 29.700 -0.046 0.000 0.750 243 E HN 0.264 nan 8.360 nan 0.000 0.452 244 A N 1.055 123.856 122.820 -0.032 0.000 1.883 244 A HA -0.248 4.075 4.320 0.005 0.000 0.217 244 A C 2.330 179.927 177.584 0.022 0.000 1.186 244 A CA 2.050 54.084 52.037 -0.005 0.000 0.624 244 A CB -0.747 18.268 19.000 0.025 0.000 0.822 244 A HN 0.310 nan 8.150 nan 0.000 0.444 245 R N -0.680 119.827 120.500 0.011 0.000 2.083 245 R HA -0.174 4.169 4.340 0.005 0.000 0.237 245 R C 2.491 178.798 176.300 0.012 0.000 1.137 245 R CA 1.809 57.916 56.100 0.011 0.000 0.951 245 R CB -0.339 29.962 30.300 0.001 0.000 0.851 245 R HN 0.524 nan 8.270 nan 0.000 0.434 246 R N 0.325 120.824 120.500 -0.001 0.000 2.083 246 R HA -0.151 4.192 4.340 0.005 0.000 0.237 246 R C 2.272 178.576 176.300 0.005 0.000 1.137 246 R CA 2.032 58.130 56.100 -0.004 0.000 0.951 246 R CB -0.107 30.183 30.300 -0.017 0.000 0.851 246 R HN 0.288 nan 8.270 nan 0.000 0.434 247 R N -0.481 120.008 120.500 -0.017 0.000 2.090 247 R HA -0.009 4.334 4.340 0.005 0.000 0.228 247 R C 2.308 178.705 176.300 0.161 0.000 1.110 247 R CA 1.094 57.175 56.100 -0.032 0.000 0.973 247 R CB -0.223 29.895 30.300 -0.303 0.000 0.869 247 R HN 0.230 nan 8.270 nan 0.000 0.440 248 A N 0.510 123.453 122.820 0.205 0.000 1.877 248 A HA -0.198 4.125 4.320 0.005 0.000 0.216 248 A C 2.274 179.905 177.584 0.079 0.000 1.186 248 A CA 2.115 54.279 52.037 0.212 0.000 0.620 248 A CB -0.988 18.066 19.000 0.090 0.000 0.822 248 A HN 0.406 nan 8.150 nan 0.000 0.443 249 T N -1.365 113.214 114.554 0.043 0.000 2.821 249 T HA -0.110 4.243 4.350 0.005 0.000 0.267 249 T C 1.806 176.523 174.700 0.029 0.000 1.046 249 T CA 1.596 63.705 62.100 0.015 0.000 1.139 249 T CB -0.390 68.479 68.868 0.002 0.000 0.871 249 T HN 0.233 nan 8.240 nan 0.000 0.454 250 L N 0.876 122.129 121.223 0.051 0.000 2.027 250 L HA 0.194 4.537 4.340 0.005 0.000 0.206 250 L C 2.347 179.269 176.870 0.086 0.000 1.074 250 L CA 1.827 56.701 54.840 0.058 0.000 0.745 250 L CB -1.266 40.827 42.059 0.058 0.000 0.898 250 L HN 0.415 nan 8.230 nan 0.000 0.433 251 L N -0.003 121.311 121.223 0.153 0.000 2.013 251 L HA -0.181 4.162 4.340 0.005 0.000 0.212 251 L C 2.512 179.415 176.870 0.055 0.000 1.073 251 L CA 2.211 57.156 54.840 0.174 0.000 0.753 251 L CB -0.966 41.263 42.059 0.284 0.000 0.890 251 L HN 0.318 nan 8.230 nan 0.000 0.432 252 A N -0.166 122.666 122.820 0.019 0.000 1.859 252 A HA -0.286 4.037 4.320 0.005 0.000 0.217 252 A C 2.376 179.945 177.584 -0.026 0.000 1.198 252 A CA 2.243 54.268 52.037 -0.021 0.000 0.629 252 A CB -0.741 18.238 19.000 -0.034 0.000 0.830 252 A HN 0.542 nan 8.150 nan 0.000 0.446 253 R N -0.646 119.845 120.500 -0.015 0.000 2.115 253 R HA -0.179 4.164 4.340 0.005 0.000 0.239 253 R C 2.127 178.392 176.300 -0.057 0.000 1.133 253 R CA 1.800 57.886 56.100 -0.024 0.000 0.935 253 R CB -0.868 29.426 30.300 -0.010 0.000 0.853 253 R HN 0.561 nan 8.270 nan 0.000 0.433 254 L N 0.896 122.080 121.223 -0.065 0.000 2.197 254 L HA -0.156 4.187 4.340 0.005 0.000 0.215 254 L C 2.154 178.796 176.870 -0.380 0.000 1.095 254 L CA 1.084 55.816 54.840 -0.180 0.000 0.764 254 L CB -0.428 41.576 42.059 -0.091 0.000 0.897 254 L HN 0.235 nan 8.230 nan 0.000 0.436 255 V N -4.130 115.646 119.914 -0.230 0.000 3.483 255 V HA 0.519 4.642 4.120 0.005 0.000 0.301 255 V C 0.953 177.001 176.094 -0.075 0.000 1.389 255 V CA 0.181 62.375 62.300 -0.177 0.000 1.101 255 V CB -0.033 31.745 31.823 -0.075 0.000 0.971 255 V HN 0.406 nan 8.190 nan 0.000 0.434 256 G N -0.190 108.571 108.800 -0.065 0.000 2.325 256 G HA2 -0.166 3.797 3.960 0.005 0.000 0.248 256 G HA3 -0.166 3.797 3.960 0.005 0.000 0.248 256 G C -0.196 174.693 174.900 -0.018 0.000 1.108 256 G CA -0.093 44.987 45.100 -0.033 0.000 0.881 256 G HN 0.799 nan 8.290 nan 0.000 0.494 266 D N 1.516 121.910 120.400 -0.010 0.000 2.097 266 D HA -0.107 4.536 4.640 0.005 0.000 0.195 266 D C 1.473 177.763 176.300 -0.017 0.000 0.989 266 D CA 1.876 55.864 54.000 -0.019 0.000 0.827 266 D CB -0.038 40.752 40.800 -0.017 0.000 0.966 266 D HN 0.599 nan 8.370 nan 0.000 0.456 267 T N 1.419 115.971 114.554 -0.003 0.000 2.624 267 T HA -0.193 4.160 4.350 0.005 0.000 0.268 267 T C 1.797 176.501 174.700 0.008 0.000 1.041 267 T CA 1.390 63.494 62.100 0.007 0.000 1.159 267 T CB -0.303 68.572 68.868 0.012 0.000 0.863 267 T HN 0.293 nan 8.240 nan 0.000 0.434 268 E N 0.491 120.693 120.200 0.004 0.000 2.058 268 E HA -0.117 4.236 4.350 0.005 0.000 0.194 268 E C 2.293 178.893 176.600 0.000 0.000 0.997 268 E CA 0.984 57.386 56.400 0.005 0.000 0.801 268 E CB -0.355 29.347 29.700 0.002 0.000 0.746 268 E HN 0.369 nan 8.360 nan 0.000 0.450 269 L N 0.843 122.058 121.223 -0.013 0.000 1.989 269 L HA -0.240 4.103 4.340 0.005 0.000 0.211 269 L C 2.372 179.218 176.870 -0.040 0.000 1.071 269 L CA 1.369 56.191 54.840 -0.030 0.000 0.749 269 L CB -0.163 41.869 42.059 -0.045 0.000 0.890 269 L HN 0.105 nan 8.230 nan 0.000 0.431 270 I N -0.327 120.214 120.570 -0.049 0.000 2.179 270 I HA -0.288 3.885 4.170 0.005 0.000 0.242 270 I C 2.737 178.896 176.117 0.071 0.000 1.088 270 I CA 1.221 62.493 61.300 -0.046 0.000 1.357 270 I CB -0.615 37.363 38.000 -0.036 0.000 1.051 270 I HN 0.329 nan 8.210 nan 0.000 0.409 271 A N -0.286 122.568 122.820 0.056 0.000 1.917 271 A HA -0.336 3.987 4.320 0.005 0.000 0.219 271 A C 2.537 180.161 177.584 0.067 0.000 1.182 271 A CA 2.228 54.305 52.037 0.066 0.000 0.633 271 A CB -1.456 17.569 19.000 0.041 0.000 0.819 271 A HN 0.656 nan 8.150 nan 0.000 0.448 272 c N -0.694 117.934 118.600 0.047 0.000 2.462 272 c HA 0.016 4.589 4.570 0.005 0.000 0.278 272 c C 2.563 176.694 174.090 0.068 0.000 1.253 272 c CA 1.046 57.400 56.329 0.042 0.000 1.713 272 c CB -1.569 40.953 42.510 0.019 0.000 2.049 272 c HN 0.600 nan 8.230 nan 0.000 0.477 273 L N 0.497 121.768 121.223 0.080 0.000 2.089 273 L HA -0.211 4.132 4.340 0.005 0.000 0.213 273 L C 2.971 180.004 176.870 0.271 0.000 1.079 273 L CA 1.850 56.784 54.840 0.156 0.000 0.758 273 L CB -0.649 41.457 42.059 0.077 0.000 0.891 273 L HN 0.422 nan 8.230 nan 0.000 0.433 274 R N -0.822 119.837 120.500 0.266 0.000 2.235 274 R HA -0.104 4.239 4.340 0.005 0.000 0.213 274 R C 2.162 178.505 176.300 0.071 0.000 1.059 274 R CA 1.587 57.782 56.100 0.158 0.000 0.997 274 R CB -0.278 30.101 30.300 0.132 0.000 0.884 274 R HN 0.520 nan 8.270 nan 0.000 0.462 275 T N -1.687 112.910 114.554 0.070 0.000 3.081 275 T HA 0.105 4.458 4.350 0.005 0.000 0.255 275 T C 0.926 175.650 174.700 0.039 0.000 1.113 275 T CA -0.126 61.999 62.100 0.041 0.000 1.082 275 T CB 0.192 69.081 68.868 0.036 0.000 0.939 275 T HN -0.145 nan 8.240 nan 0.000 0.506 276 R N 3.033 123.567 120.500 0.057 0.000 2.438 276 R HA 0.360 4.703 4.340 0.005 0.000 0.287 276 R C -2.573 173.752 176.300 0.042 0.000 1.077 276 R CA -2.539 53.594 56.100 0.055 0.000 1.034 276 R CB 0.068 30.412 30.300 0.073 0.000 0.993 276 R HN 0.326 nan 8.270 nan 0.000 0.459 277 P HA 0.039 nan 4.420 nan 0.000 0.271 277 P C 0.272 177.561 177.300 -0.018 0.000 1.216 277 P CA -0.015 63.078 63.100 -0.011 0.000 0.776 277 P CB 0.607 32.306 31.700 -0.003 0.000 0.881 278 A N 2.848 125.582 122.820 -0.143 0.000 1.915 278 A HA -0.312 4.011 4.320 0.005 0.000 0.220 278 A C 2.257 179.792 177.584 -0.082 0.000 1.198 278 A CA 2.451 54.365 52.037 -0.205 0.000 0.647 278 A CB -1.433 16.845 19.000 -1.203 0.000 0.825 278 A HN 0.559 nan 8.150 nan 0.000 0.456 279 Q N -0.266 119.449 119.800 -0.142 0.000 2.119 279 Q HA -0.150 4.193 4.340 0.005 0.000 0.201 279 Q C 1.395 177.522 176.000 0.212 0.000 0.972 279 Q CA 2.028 57.934 55.803 0.173 0.000 0.847 279 Q CB -0.392 28.462 28.738 0.194 0.000 0.903 279 Q HN 0.663 nan 8.270 nan 0.000 0.433 280 D N -0.412 120.090 120.400 0.169 0.000 2.123 280 D HA -0.151 4.492 4.640 0.005 0.000 0.196 280 D C 1.783 178.261 176.300 0.296 0.000 0.992 280 D CA 1.087 55.231 54.000 0.240 0.000 0.833 280 D CB -0.176 40.736 40.800 0.186 0.000 0.954 280 D HN 0.292 nan 8.370 nan 0.000 0.455 281 L N 0.111 121.452 121.223 0.196 0.000 2.017 281 L HA -0.141 4.202 4.340 0.005 0.000 0.208 281 L C 2.519 179.491 176.870 0.170 0.000 1.073 281 L CA 0.693 55.600 54.840 0.112 0.000 0.745 281 L CB -0.559 41.435 42.059 -0.107 0.000 0.894 281 L HN -0.022 nan 8.230 nan 0.000 0.432 282 V N 0.023 120.105 119.914 0.280 0.000 2.255 282 V HA -0.310 3.813 4.120 0.005 0.000 0.247 282 V C 2.125 178.378 176.094 0.264 0.000 1.051 282 V CA 2.024 64.533 62.300 0.350 0.000 1.018 282 V CB -0.584 31.558 31.823 0.530 0.000 0.641 282 V HN 0.432 nan 8.190 nan 0.000 0.445 283 D N -0.818 119.714 120.400 0.221 0.000 2.254 283 D HA -0.202 4.441 4.640 0.005 0.000 0.201 283 D C 1.835 178.017 176.300 -0.196 0.000 0.998 283 D CA 1.819 55.846 54.000 0.044 0.000 0.885 283 D CB -0.211 40.576 40.800 -0.022 0.000 0.915 283 D HN 0.679 nan 8.370 nan 0.000 0.460 284 H N -1.217 117.946 119.070 0.154 0.000 2.874 284 H HA 0.196 4.755 4.556 0.005 0.000 0.264 284 H C 1.561 176.958 175.328 0.115 0.000 1.007 284 H CA -0.053 56.101 56.048 0.177 0.000 1.207 284 H CB 0.508 30.435 29.762 0.274 0.000 1.487 284 H HN 0.023 nan 8.280 nan 0.000 0.505 285 E N 0.329 120.670 120.200 0.234 0.000 2.172 285 E HA -0.290 4.063 4.350 0.005 0.000 0.213 285 E C 1.064 177.841 176.600 0.295 0.000 1.051 285 E CA 1.666 58.263 56.400 0.327 0.000 0.860 285 E CB -0.106 29.727 29.700 0.223 0.000 0.755 285 E HN 0.522 nan 8.360 nan 0.000 0.462 286 W N 0.456 121.636 121.300 -0.200 0.000 3.003 286 W HA 0.006 4.669 4.660 0.005 0.000 0.257 286 W C 1.245 177.657 176.519 -0.177 0.000 1.308 286 W CA 0.598 57.780 57.345 -0.272 0.000 1.529 286 W CB -0.043 29.141 29.460 -0.460 0.000 1.115 286 W HN 0.251 nan 8.180 nan 0.000 0.659 287 H N -0.293 118.887 119.070 0.184 0.000 2.547 287 H HA 0.042 4.601 4.556 0.005 0.000 0.266 287 H C 1.920 177.292 175.328 0.072 0.000 0.988 287 H CA 1.218 57.311 56.048 0.074 0.000 1.147 287 H CB -0.892 28.947 29.762 0.129 0.000 1.365 287 H HN 0.192 nan 8.280 nan 0.000 0.589 288 V N -2.215 117.805 119.914 0.178 0.000 3.621 288 V HA 0.225 4.348 4.120 0.005 0.000 0.285 288 V C 0.758 176.855 176.094 0.004 0.000 1.346 288 V CA -0.170 62.183 62.300 0.088 0.000 1.104 288 V CB -0.378 31.492 31.823 0.078 0.000 0.913 288 V HN -0.012 nan 8.190 nan 0.000 0.432 289 L N 2.427 123.661 121.223 0.019 0.000 2.453 289 L HA 0.268 4.611 4.340 0.005 0.000 0.272 289 L C -0.442 176.417 176.870 -0.018 0.000 1.182 289 L CA -1.118 53.717 54.840 -0.010 0.000 0.858 289 L CB 0.909 42.982 42.059 0.024 0.000 1.120 289 L HN 0.128 nan 8.230 nan 0.000 0.474 290 P HA -0.115 nan 4.420 nan 0.000 0.218 290 P C -0.264 177.024 177.300 -0.020 0.000 1.149 290 P CA 1.209 64.296 63.100 -0.023 0.000 0.817 290 P CB 0.362 32.047 31.700 -0.025 0.000 0.785 291 Q N -1.415 118.372 119.800 -0.022 0.000 2.495 291 Q HA 0.338 4.681 4.340 0.005 0.000 0.287 291 Q C -0.538 175.442 176.000 -0.033 0.000 1.078 291 Q CA -0.799 54.990 55.803 -0.023 0.000 0.793 291 Q CB 1.171 29.900 28.738 -0.015 0.000 1.459 291 Q HN -0.051 nan 8.270 nan 0.000 0.422 292 E N 1.029 121.207 120.200 -0.038 0.000 2.480 292 E HA 0.266 4.619 4.350 0.005 0.000 0.258 292 E C -1.005 175.582 176.600 -0.021 0.000 0.984 292 E CA 0.181 56.553 56.400 -0.046 0.000 0.930 292 E CB 0.302 29.979 29.700 -0.040 0.000 0.936 292 E HN 0.589 nan 8.360 nan 0.000 0.466 293 S N 3.587 119.280 115.700 -0.011 0.000 2.565 293 S HA 0.580 5.053 4.470 0.005 0.000 0.269 293 S C -0.502 174.122 174.600 0.040 0.000 1.153 293 S CA -1.052 57.151 58.200 0.005 0.000 0.835 293 S CB 0.725 63.914 63.200 -0.017 0.000 1.122 293 S HN 0.512 nan 8.310 nan 0.000 0.462 294 I N -2.093 118.496 120.570 0.030 0.000 2.910 294 I HA 0.785 4.958 4.170 0.005 0.000 0.310 294 I C -0.003 176.065 176.117 -0.082 0.000 1.043 294 I CA -1.232 60.100 61.300 0.052 0.000 1.053 294 I CB 0.729 38.818 38.000 0.148 0.000 1.242 294 I HN 0.759 nan 8.210 nan 0.000 0.452 295 F N 1.387 121.078 119.950 -0.431 0.000 3.090 295 F HA -0.199 4.331 4.527 0.005 0.000 0.282 295 F C -0.119 175.016 175.800 -1.109 0.000 0.923 295 F CA 0.745 58.180 58.000 -0.941 0.000 0.977 295 F CB -0.669 37.720 39.000 -1.019 0.000 0.954 295 F HN 0.532 nan 8.300 nan 0.000 0.695 296 R N 0.359 120.294 120.500 -0.942 0.000 2.621 296 R HA 0.656 4.999 4.340 0.005 0.000 0.292 296 R C -0.994 174.771 176.300 -0.892 0.000 0.969 296 R CA -0.600 55.050 56.100 -0.749 0.000 0.887 296 R CB 1.291 31.446 30.300 -0.242 0.000 1.180 296 R HN 0.007 nan 8.270 nan 0.000 0.450 297 F N -0.779 119.241 119.950 0.117 0.000 2.565 297 F HA 0.346 4.876 4.527 0.004 0.000 0.313 297 F C 1.470 177.283 175.800 0.023 0.000 1.091 297 F CA -0.803 57.241 58.000 0.072 0.000 0.915 297 F CB 1.927 41.060 39.000 0.222 0.000 1.208 297 F HN 0.341 nan 8.300 nan 0.000 0.453 298 S N 0.853 116.623 115.700 0.117 0.000 2.355 298 S HA -0.015 4.458 4.470 0.005 0.000 0.222 298 S C -0.000 174.268 174.600 -0.553 0.000 1.031 298 S CA 1.223 59.290 58.200 -0.222 0.000 0.993 298 S CB -0.203 62.905 63.200 -0.152 0.000 0.859 298 S HN 0.367 nan 8.310 nan 0.000 0.453 299 F N 1.404 121.473 119.950 0.198 0.000 2.430 299 F HA 0.535 5.065 4.527 0.005 0.000 0.362 299 F C -0.087 175.773 175.800 0.100 0.000 1.103 299 F CA -0.963 57.153 58.000 0.192 0.000 1.045 299 F CB 1.326 40.478 39.000 0.254 0.000 1.276 299 F HN -0.114 nan 8.300 nan 0.000 0.444 300 V N 0.734 120.628 119.914 -0.033 0.000 3.141 300 V HA 0.766 4.889 4.120 0.005 0.000 0.312 300 V C -2.902 172.794 176.094 -0.664 0.000 1.157 300 V CA -3.410 58.510 62.300 -0.634 0.000 1.041 300 V CB 2.073 33.734 31.823 -0.269 0.000 1.071 300 V HN 0.252 nan 8.190 nan 0.000 0.441 301 P HA 0.093 nan 4.420 nan 0.000 0.264 301 P C -0.630 176.527 177.300 -0.238 0.000 1.179 301 P CA 0.531 63.331 63.100 -0.499 0.000 0.763 301 P CB 0.483 31.817 31.700 -0.610 0.000 0.806 302 V N 5.042 124.900 119.914 -0.093 0.000 2.547 302 V HA 0.207 4.330 4.120 0.005 0.000 0.299 302 V C -0.214 175.861 176.094 -0.031 0.000 1.040 302 V CA -0.825 61.446 62.300 -0.048 0.000 0.913 302 V CB 1.910 33.738 31.823 0.009 0.000 0.992 302 V HN 0.142 nan 8.190 nan 0.000 0.449 303 V N 7.476 127.372 119.914 -0.030 0.000 2.359 303 V HA 0.132 4.255 4.120 0.005 0.000 0.248 303 V C 0.849 176.951 176.094 0.015 0.000 1.091 303 V CA 0.401 62.698 62.300 -0.004 0.000 1.103 303 V CB -0.100 31.712 31.823 -0.018 0.000 1.176 303 V HN 1.065 nan 8.190 nan 0.000 0.488 304 D N 2.628 123.053 120.400 0.041 0.000 2.350 304 D HA 0.103 4.746 4.640 0.005 0.000 0.213 304 D C 1.604 177.930 176.300 0.044 0.000 1.031 304 D CA 0.672 54.700 54.000 0.046 0.000 0.861 304 D CB 0.235 41.076 40.800 0.069 0.000 0.926 304 D HN 0.662 nan 8.370 nan 0.000 0.520 305 G N 0.715 109.541 108.800 0.043 0.000 2.168 305 G HA2 -0.335 3.628 3.960 0.005 0.000 0.257 305 G HA3 -0.335 3.628 3.960 0.005 0.000 0.257 305 G C 0.389 175.313 174.900 0.041 0.000 0.997 305 G CA 0.867 45.987 45.100 0.033 0.000 0.708 305 G HN 0.554 nan 8.290 nan 0.000 0.520 306 D N -1.550 118.890 120.400 0.068 0.000 3.040 306 D HA 0.226 4.869 4.640 0.005 0.000 0.221 306 D C 1.773 178.129 176.300 0.092 0.000 1.515 306 D CA 0.347 54.391 54.000 0.073 0.000 1.379 306 D CB -0.627 40.227 40.800 0.090 0.000 0.992 306 D HN 0.074 nan 8.370 nan 0.000 0.234 307 F N 1.193 121.154 119.950 0.017 0.000 2.065 307 F HA 0.088 4.618 4.527 0.004 0.000 0.298 307 F C 0.679 176.481 175.800 0.003 0.000 1.112 307 F CA 1.333 59.342 58.000 0.016 0.000 1.212 307 F CB 0.036 39.043 39.000 0.011 0.000 0.975 307 F HN 0.007 nan 8.300 nan 0.000 0.476 308 L N 0.774 122.168 121.223 0.285 0.000 2.277 308 L HA 0.185 4.528 4.340 0.005 0.000 0.284 308 L C 1.368 178.283 176.870 0.076 0.000 1.028 308 L CA -0.167 54.766 54.840 0.155 0.000 0.835 308 L CB 1.348 43.484 42.059 0.128 0.000 1.215 308 L HN 0.100 nan 8.230 nan 0.000 0.425 309 S N 0.496 116.220 115.700 0.040 0.000 2.447 309 S HA -0.019 4.454 4.470 0.005 0.000 0.233 309 S C 0.446 175.056 174.600 0.017 0.000 1.006 309 S CA 0.463 58.675 58.200 0.021 0.000 0.957 309 S CB 0.109 63.311 63.200 0.003 0.000 0.773 309 S HN 0.722 nan 8.310 nan 0.000 0.507 310 D N 0.117 120.528 120.400 0.020 0.000 2.713 310 D HA 0.265 4.908 4.640 0.005 0.000 0.306 310 D C -0.893 175.411 176.300 0.007 0.000 1.299 310 D CA 0.022 54.028 54.000 0.010 0.000 0.823 310 D CB 1.285 42.089 40.800 0.006 0.000 1.353 310 D HN 0.193 nan 8.370 nan 0.000 0.447 311 T N -0.652 113.898 114.554 -0.007 0.000 2.937 311 T HA 0.208 4.561 4.350 0.005 0.000 0.316 311 T C -1.789 172.901 174.700 -0.016 0.000 1.079 311 T CA -0.559 61.528 62.100 -0.023 0.000 1.131 311 T CB 0.941 69.789 68.868 -0.033 0.000 1.000 311 T HN 0.117 nan 8.240 nan 0.000 0.549 312 P HA -0.147 nan 4.420 nan 0.000 0.216 312 P C 1.570 178.856 177.300 -0.022 0.000 1.153 312 P CA 1.232 64.312 63.100 -0.033 0.000 0.858 312 P CB 0.040 31.685 31.700 -0.092 0.000 0.789 313 E N -0.367 119.808 120.200 -0.042 0.000 2.065 313 E HA -0.297 4.056 4.350 0.005 0.000 0.201 313 E C 1.896 178.499 176.600 0.005 0.000 1.016 313 E CA 1.781 58.166 56.400 -0.026 0.000 0.818 313 E CB -0.578 29.100 29.700 -0.037 0.000 0.749 313 E HN 0.094 nan 8.360 nan 0.000 0.453 314 A N 0.705 123.529 122.820 0.006 0.000 1.902 314 A HA -0.133 4.190 4.320 0.005 0.000 0.217 314 A C 2.229 179.837 177.584 0.041 0.000 1.181 314 A CA 1.266 53.313 52.037 0.017 0.000 0.623 314 A CB -0.524 18.480 19.000 0.006 0.000 0.818 314 A HN 0.310 nan 8.150 nan 0.000 0.443 315 L N -0.284 120.973 121.223 0.058 0.000 2.240 315 L HA -0.036 4.307 4.340 0.005 0.000 0.211 315 L C 2.449 179.453 176.870 0.223 0.000 1.106 315 L CA 1.092 55.995 54.840 0.105 0.000 0.793 315 L CB -0.520 41.604 42.059 0.108 0.000 0.927 315 L HN 0.651 nan 8.230 nan 0.000 0.446 316 I N -3.279 117.401 120.570 0.184 0.000 2.617 316 I HA -0.051 4.122 4.170 0.005 0.000 0.256 316 I C 1.970 178.227 176.117 0.233 0.000 1.167 316 I CA 1.040 62.483 61.300 0.237 0.000 1.469 316 I CB -0.369 37.652 38.000 0.035 0.000 1.098 316 I HN 0.100 nan 8.210 nan 0.000 0.436 317 N N 1.320 120.097 118.700 0.128 0.000 2.270 317 N HA -0.102 4.641 4.740 0.005 0.000 0.181 317 N C 1.773 177.336 175.510 0.087 0.000 1.016 317 N CA 2.096 55.202 53.050 0.093 0.000 0.870 317 N CB -0.195 38.322 38.487 0.051 0.000 0.979 317 N HN 0.708 nan 8.380 nan 0.000 0.431 318 T N -4.272 110.325 114.554 0.071 0.000 3.058 318 T HA 0.309 4.662 4.350 0.005 0.000 0.278 318 T C 0.865 175.526 174.700 -0.066 0.000 0.974 318 T CA -0.306 61.800 62.100 0.010 0.000 0.893 318 T CB 0.084 68.950 68.868 -0.003 0.000 1.138 318 T HN 0.036 nan 8.240 nan 0.000 0.529 319 G N 1.103 109.837 108.800 -0.111 0.000 2.569 319 G HA2 0.415 4.378 3.960 0.005 0.000 0.249 319 G HA3 0.415 4.378 3.960 0.005 0.000 0.249 319 G C -0.985 173.509 174.900 -0.677 0.000 1.216 319 G CA -0.422 44.384 45.100 -0.490 0.000 0.845 319 G HN 0.461 nan 8.290 nan 0.000 0.568 320 D N -0.405 119.586 120.400 -0.681 0.000 2.280 320 D HA 0.417 5.060 4.640 0.005 0.000 0.236 320 D C -0.407 175.518 176.300 -0.626 0.000 1.082 320 D CA -0.618 53.101 54.000 -0.469 0.000 0.834 320 D CB 0.568 41.229 40.800 -0.232 0.000 1.100 320 D HN 0.112 nan 8.370 nan 0.000 0.486 321 F N 2.721 122.679 119.950 0.014 0.000 2.908 321 F HA 0.231 4.761 4.527 0.005 0.000 0.328 321 F C 1.726 177.538 175.800 0.021 0.000 1.211 321 F CA -0.535 57.478 58.000 0.021 0.000 1.291 321 F CB 0.228 39.250 39.000 0.038 0.000 0.962 321 F HN 0.398 nan 8.300 nan 0.000 0.505 322 Q N 1.098 120.952 119.800 0.089 0.000 2.029 322 Q HA -0.261 4.082 4.340 0.005 0.000 0.209 322 Q C 1.754 177.795 176.000 0.069 0.000 0.999 322 Q CA 2.302 58.142 55.803 0.061 0.000 0.857 322 Q CB -0.210 28.535 28.738 0.012 0.000 0.926 322 Q HN 0.260 nan 8.270 nan 0.000 0.415 323 D N -1.055 119.377 120.400 0.053 0.000 2.378 323 D HA -0.016 4.627 4.640 0.005 0.000 0.227 323 D C -0.671 175.667 176.300 0.062 0.000 1.012 323 D CA 0.050 54.073 54.000 0.039 0.000 0.905 323 D CB 0.072 40.877 40.800 0.008 0.000 0.895 323 D HN 0.110 nan 8.370 nan 0.000 0.532 324 L N 1.221 122.511 121.223 0.112 0.000 2.275 324 L HA 0.366 4.709 4.340 0.005 0.000 0.288 324 L C -0.857 176.105 176.870 0.154 0.000 1.046 324 L CA -0.328 54.596 54.840 0.142 0.000 0.805 324 L CB 1.473 43.658 42.059 0.210 0.000 1.193 324 L HN -0.205 nan 8.230 nan 0.000 0.426 325 Q N 3.540 123.442 119.800 0.171 0.000 2.293 325 Q HA 0.732 5.075 4.340 0.005 0.000 0.261 325 Q C -1.290 174.991 176.000 0.468 0.000 0.960 325 Q CA -0.415 55.551 55.803 0.272 0.000 0.882 325 Q CB 2.421 31.254 28.738 0.158 0.000 1.275 325 Q HN 0.451 nan 8.270 nan 0.000 0.445 326 V N 2.730 122.890 119.914 0.411 0.000 2.577 326 V HA 0.414 4.537 4.120 0.005 0.000 0.303 326 V C -1.383 174.657 176.094 -0.091 0.000 1.042 326 V CA -0.884 61.535 62.300 0.199 0.000 0.872 326 V CB 1.743 33.598 31.823 0.053 0.000 0.998 326 V HN 0.602 nan 8.190 nan 0.000 0.423 327 L N 7.709 128.573 121.223 -0.598 0.000 2.272 327 L HA 0.855 5.198 4.340 0.005 0.000 0.289 327 L C -0.278 176.427 176.870 -0.274 0.000 1.032 327 L CA -0.047 54.369 54.840 -0.706 0.000 0.810 327 L CB 1.435 42.560 42.059 -1.556 0.000 1.205 327 L HN 0.610 nan 8.230 nan 0.000 0.422 328 V N 2.272 122.113 119.914 -0.121 0.000 3.001 328 V HA 1.139 5.262 4.120 0.005 0.000 0.314 328 V C -0.103 175.762 176.094 -0.381 0.000 1.099 328 V CA 0.103 62.316 62.300 -0.144 0.000 0.989 328 V CB 1.266 32.980 31.823 -0.182 0.000 1.040 328 V HN 1.112 nan 8.190 nan 0.000 0.434 329 G N 0.390 108.809 108.800 -0.635 0.000 2.356 329 G HA2 0.699 4.662 3.960 0.005 0.000 0.294 329 G HA3 0.699 4.662 3.960 0.005 0.000 0.294 329 G C -1.261 173.296 174.900 -0.572 0.000 1.423 329 G CA 0.109 44.450 45.100 -1.266 0.000 0.806 329 G HN 2.054 nan 8.290 nan 0.000 0.527 330 V N -2.230 117.513 119.914 -0.286 0.000 3.102 330 V HA 0.929 5.052 4.120 0.005 0.000 0.312 330 V C 0.450 176.741 176.094 0.328 0.000 1.135 330 V CA -0.499 61.849 62.300 0.080 0.000 1.022 330 V CB 1.154 32.999 31.823 0.037 0.000 1.056 330 V HN 1.825 nan 8.190 nan 0.000 0.436 331 V N -0.548 119.583 119.914 0.361 0.000 2.997 331 V HA 0.535 4.658 4.120 0.005 0.000 0.311 331 V C 1.498 177.801 176.094 0.348 0.000 1.066 331 V CA -0.105 62.468 62.300 0.454 0.000 1.039 331 V CB 1.016 33.101 31.823 0.435 0.000 1.081 331 V HN 1.045 nan 8.190 nan 0.000 0.467 332 K N 0.404 121.008 120.400 0.339 0.000 2.044 332 K HA -0.165 4.158 4.320 0.005 0.000 0.210 332 K C 0.003 176.739 176.600 0.225 0.000 1.049 332 K CA 2.425 58.858 56.287 0.244 0.000 0.927 332 K CB -0.083 32.535 32.500 0.196 0.000 0.713 332 K HN 0.976 nan 8.250 nan 0.000 0.443 333 D N 0.445 120.989 120.400 0.240 0.000 2.412 333 D HA 0.077 4.720 4.640 0.005 0.000 0.276 333 D C 0.040 176.499 176.300 0.266 0.000 1.196 333 D CA -0.215 53.917 54.000 0.220 0.000 0.905 333 D CB 1.501 42.404 40.800 0.172 0.000 1.081 333 D HN 0.021 nan 8.370 nan 0.000 0.502 334 E N 0.786 121.155 120.200 0.281 0.000 2.150 334 E HA -0.082 4.271 4.350 0.005 0.000 0.193 334 E C 2.022 178.860 176.600 0.397 0.000 0.985 334 E CA 0.674 57.296 56.400 0.369 0.000 0.814 334 E CB 0.098 29.959 29.700 0.268 0.000 0.752 334 E HN 0.556 nan 8.360 nan 0.000 0.466 335 G N 0.764 109.734 108.800 0.284 0.000 2.744 335 G HA2 -0.130 3.833 3.960 0.005 0.000 0.211 335 G HA3 -0.130 3.833 3.960 0.005 0.000 0.211 335 G C 1.693 176.789 174.900 0.327 0.000 1.146 335 G CA 0.691 45.963 45.100 0.287 0.000 0.787 335 G HN 0.345 nan 8.290 nan 0.000 0.534 336 S N -0.130 115.715 115.700 0.242 0.000 2.368 336 S HA -0.192 4.281 4.470 0.005 0.000 0.225 336 S C 2.072 176.683 174.600 0.019 0.000 1.030 336 S CA 1.145 59.432 58.200 0.145 0.000 0.999 336 S CB -0.825 62.353 63.200 -0.036 0.000 0.844 336 S HN 0.443 nan 8.310 nan 0.000 0.459 337 Y N 1.471 121.645 120.300 -0.209 0.000 2.151 337 Y HA -0.227 4.326 4.550 0.004 0.000 0.284 337 Y C 1.770 177.442 175.900 -0.381 0.000 1.166 337 Y CA 2.037 59.813 58.100 -0.540 0.000 1.163 337 Y CB -0.352 37.656 38.460 -0.753 0.000 0.974 337 Y HN 0.300 nan 8.280 nan 0.000 0.511 338 F N -0.781 119.284 119.950 0.193 0.000 2.558 338 F HA -0.093 4.436 4.527 0.004 0.000 0.298 338 F C 1.900 177.804 175.800 0.174 0.000 1.119 338 F CA 0.564 58.654 58.000 0.150 0.000 1.451 338 F CB -0.481 38.499 39.000 -0.032 0.000 1.091 338 F HN 0.012 nan 8.300 nan 0.000 0.563 339 L N 0.080 121.445 121.223 0.236 0.000 2.083 339 L HA -0.152 4.191 4.340 0.005 0.000 0.209 339 L C 2.490 179.497 176.870 0.230 0.000 1.083 339 L CA 1.200 56.051 54.840 0.018 0.000 0.752 339 L CB -0.923 40.917 42.059 -0.364 0.000 0.899 339 L HN 0.202 nan 8.230 nan 0.000 0.433 340 V N -4.575 115.544 119.914 0.343 0.000 3.141 340 V HA -0.195 3.928 4.120 0.005 0.000 0.265 340 V C 1.520 177.757 176.094 0.238 0.000 1.126 340 V CA 1.050 63.569 62.300 0.365 0.000 1.141 340 V CB -1.013 31.031 31.823 0.369 0.000 0.743 340 V HN 0.319 nan 8.190 nan 0.000 0.492 341 Y N 1.506 121.958 120.300 0.254 0.000 2.485 341 Y HA 0.638 5.191 4.550 0.005 0.000 0.260 341 Y C 1.704 177.739 175.900 0.225 0.000 1.173 341 Y CA 0.362 58.614 58.100 0.253 0.000 1.252 341 Y CB 0.893 39.529 38.460 0.292 0.000 1.123 341 Y HN 0.430 nan 8.280 nan 0.000 0.524 342 G N -0.673 108.305 108.800 0.297 0.000 4.553 342 G HA2 0.044 4.007 3.960 0.005 0.000 0.222 342 G HA3 0.044 4.007 3.960 0.005 0.000 0.222 342 G C -1.160 173.838 174.900 0.163 0.000 0.795 342 G CA -0.500 44.720 45.100 0.200 0.000 1.181 342 G HN -0.059 nan 8.290 nan 0.000 0.766 343 V N 1.969 122.002 119.914 0.198 0.000 2.328 343 V HA 0.422 4.545 4.120 0.005 0.000 0.278 343 V C -2.008 174.277 176.094 0.319 0.000 1.021 343 V CA -1.876 60.556 62.300 0.221 0.000 0.838 343 V CB 1.557 33.457 31.823 0.129 0.000 0.999 343 V HN 0.069 nan 8.190 nan 0.000 0.447 344 P HA 0.305 nan 4.420 nan 0.000 0.266 344 P C 1.034 178.427 177.300 0.154 0.000 1.195 344 P CA 1.229 64.421 63.100 0.154 0.000 0.768 344 P CB 0.856 32.609 31.700 0.089 0.000 0.838 345 G N 1.382 110.211 108.800 0.049 0.000 2.376 345 G HA2 -0.205 3.758 3.960 0.005 0.000 0.208 345 G HA3 -0.205 3.758 3.960 0.005 0.000 0.208 345 G C -0.168 174.567 174.900 -0.275 0.000 1.032 345 G CA -0.577 44.429 45.100 -0.156 0.000 0.641 345 G HN 0.405 nan 8.290 nan 0.000 0.503 346 F N 1.920 121.880 119.950 0.017 0.000 2.384 346 F HA 0.771 5.301 4.527 0.005 0.000 0.338 346 F C 0.764 176.660 175.800 0.159 0.000 1.103 346 F CA 0.327 58.358 58.000 0.051 0.000 1.157 346 F CB 2.025 41.103 39.000 0.131 0.000 1.167 346 F HN 0.226 nan 8.300 nan 0.000 0.529 347 S N 1.115 117.064 115.700 0.414 0.000 2.565 347 S HA 0.278 4.751 4.470 0.005 0.000 0.269 347 S C 0.217 175.109 174.600 0.486 0.000 1.153 347 S CA -0.869 57.565 58.200 0.389 0.000 0.835 347 S CB 1.356 64.686 63.200 0.216 0.000 1.122 347 S HN 0.735 nan 8.310 nan 0.000 0.462 348 K N 0.847 121.408 120.400 0.269 0.000 2.305 348 K HA 0.154 4.477 4.320 0.005 0.000 0.199 348 K C 0.139 176.736 176.600 -0.004 0.000 1.047 348 K CA 0.949 57.284 56.287 0.079 0.000 0.976 348 K CB -0.122 32.145 32.500 -0.389 0.000 0.765 348 K HN 0.404 nan 8.250 nan 0.000 0.474 349 D N 1.111 121.502 120.400 -0.015 0.000 2.349 349 D HA -0.010 4.633 4.640 0.005 0.000 0.215 349 D C -0.111 176.207 176.300 0.029 0.000 1.016 349 D CA 0.478 54.449 54.000 -0.049 0.000 0.870 349 D CB 0.031 40.801 40.800 -0.051 0.000 0.917 349 D HN 0.510 nan 8.370 nan 0.000 0.524 350 N N -1.223 117.538 118.700 0.103 0.000 3.157 350 N HA 0.092 4.835 4.740 0.005 0.000 0.291 350 N C 0.321 175.905 175.510 0.124 0.000 1.515 350 N CA -0.567 52.526 53.050 0.073 0.000 0.807 350 N CB 0.867 39.353 38.487 -0.001 0.000 1.672 350 N HN -0.428 nan 8.380 nan 0.000 0.592 351 E N -0.402 119.792 120.200 -0.010 0.000 2.482 351 E HA 0.006 4.359 4.350 0.005 0.000 0.196 351 E C -0.359 175.872 176.600 -0.615 0.000 1.047 351 E CA 0.360 56.685 56.400 -0.125 0.000 0.869 351 E CB -0.480 29.183 29.700 -0.061 0.000 0.836 351 E HN 0.595 nan 8.360 nan 0.000 0.520 352 S N -0.029 115.349 115.700 -0.537 0.000 3.587 352 S HA -0.200 4.273 4.470 0.005 0.000 0.337 352 S C 0.411 174.526 174.600 -0.809 0.000 1.119 352 S CA 0.180 57.910 58.200 -0.784 0.000 0.976 352 S CB -1.857 60.640 63.200 -1.172 0.000 0.922 352 S HN 0.310 nan 8.310 nan 0.000 0.503 353 L N 1.635 122.558 121.223 -0.500 0.000 2.562 353 L HA 0.265 4.608 4.340 0.005 0.000 0.271 353 L C 0.749 177.397 176.870 -0.371 0.000 1.167 353 L CA 0.233 54.851 54.840 -0.371 0.000 0.917 353 L CB -0.129 41.793 42.059 -0.228 0.000 1.187 353 L HN 0.422 nan 8.230 nan 0.000 0.482 354 I N 0.263 120.610 120.570 -0.371 0.000 2.982 354 I HA 0.686 4.859 4.170 0.005 0.000 0.312 354 I C 0.432 176.467 176.117 -0.136 0.000 1.041 354 I CA -0.661 60.460 61.300 -0.298 0.000 1.053 354 I CB 1.912 39.691 38.000 -0.369 0.000 1.248 354 I HN 0.520 nan 8.210 nan 0.000 0.471 355 S N 1.364 117.025 115.700 -0.067 0.000 2.713 355 S HA 0.454 4.927 4.470 0.005 0.000 0.283 355 S C 0.873 175.506 174.600 0.055 0.000 1.161 355 S CA -0.587 57.603 58.200 -0.016 0.000 0.999 355 S CB 1.705 64.901 63.200 -0.007 0.000 1.039 355 S HN 0.853 nan 8.310 nan 0.000 0.548 356 R N 0.504 121.039 120.500 0.059 0.000 2.083 356 R HA -0.109 4.234 4.340 0.005 0.000 0.237 356 R C 2.367 178.772 176.300 0.175 0.000 1.137 356 R CA 1.796 57.973 56.100 0.129 0.000 0.951 356 R CB -1.206 29.143 30.300 0.082 0.000 0.851 356 R HN 0.841 nan 8.270 nan 0.000 0.434 357 A N 0.628 123.511 122.820 0.105 0.000 1.892 357 A HA -0.263 4.060 4.320 0.005 0.000 0.218 357 A C 2.075 179.716 177.584 0.096 0.000 1.188 357 A CA 1.842 53.931 52.037 0.087 0.000 0.631 357 A CB -0.650 18.382 19.000 0.054 0.000 0.822 357 A HN 0.568 nan 8.150 nan 0.000 0.447 358 Q N -2.028 117.830 119.800 0.097 0.000 2.224 358 Q HA -0.111 4.232 4.340 0.005 0.000 0.203 358 Q C 1.828 177.944 176.000 0.194 0.000 0.970 358 Q CA 1.413 57.283 55.803 0.110 0.000 0.865 358 Q CB -0.270 28.502 28.738 0.056 0.000 0.922 358 Q HN 0.825 nan 8.270 nan 0.000 0.445 359 F N 0.790 120.782 119.950 0.070 0.000 2.128 359 F HA -0.113 4.417 4.527 0.005 0.000 0.295 359 F C 1.679 177.529 175.800 0.084 0.000 1.100 359 F CA 0.889 58.945 58.000 0.095 0.000 1.260 359 F CB 0.078 39.114 39.000 0.060 0.000 1.009 359 F HN -0.068 nan 8.300 nan 0.000 0.476 360 L N 0.313 121.500 121.223 -0.060 0.000 2.046 360 L HA -0.195 4.148 4.340 0.005 0.000 0.208 360 L C 2.864 179.667 176.870 -0.112 0.000 1.077 360 L CA 1.132 55.888 54.840 -0.140 0.000 0.747 360 L CB -1.283 40.792 42.059 0.026 0.000 0.896 360 L HN 0.288 nan 8.230 nan 0.000 0.432 361 A N 0.494 123.297 122.820 -0.028 0.000 1.877 361 A HA -0.126 4.197 4.320 0.005 0.000 0.216 361 A C 2.432 180.004 177.584 -0.019 0.000 1.186 361 A CA 1.753 53.787 52.037 -0.004 0.000 0.620 361 A CB -1.325 17.696 19.000 0.035 0.000 0.822 361 A HN 0.430 nan 8.150 nan 0.000 0.443 362 G N -0.496 108.299 108.800 -0.008 0.000 2.440 362 G HA2 -0.166 3.797 3.960 0.005 0.000 0.218 362 G HA3 -0.166 3.797 3.960 0.005 0.000 0.218 362 G C 1.523 176.361 174.900 -0.103 0.000 1.154 362 G CA 1.322 46.419 45.100 -0.005 0.000 0.767 362 G HN 0.330 nan 8.290 nan 0.000 0.552 363 V N 1.061 120.828 119.914 -0.244 0.000 2.332 363 V HA -0.178 3.945 4.120 0.005 0.000 0.248 363 V C 3.038 179.074 176.094 -0.097 0.000 1.055 363 V CA 1.888 64.047 62.300 -0.234 0.000 1.038 363 V CB -0.416 31.176 31.823 -0.384 0.000 0.651 363 V HN 0.237 nan 8.190 nan 0.000 0.450 364 R N -0.017 120.438 120.500 -0.075 0.000 2.091 364 R HA -0.063 4.280 4.340 0.005 0.000 0.238 364 R C 2.065 178.356 176.300 -0.015 0.000 1.136 364 R CA 1.604 57.686 56.100 -0.031 0.000 0.959 364 R CB -1.009 29.278 30.300 -0.021 0.000 0.856 364 R HN 0.488 nan 8.270 nan 0.000 0.437 365 I N -0.260 120.301 120.570 -0.014 0.000 2.353 365 I HA -0.095 4.078 4.170 0.005 0.000 0.248 365 I C 2.367 178.487 176.117 0.005 0.000 1.119 365 I CA 1.469 62.770 61.300 0.002 0.000 1.417 365 I CB -0.539 37.471 38.000 0.018 0.000 1.078 365 I HN 0.212 nan 8.210 nan 0.000 0.421 366 G N 0.313 109.108 108.800 -0.008 0.000 2.421 366 G HA2 -0.040 3.923 3.960 0.005 0.000 0.217 366 G HA3 -0.040 3.923 3.960 0.005 0.000 0.217 366 G C 0.839 175.768 174.900 0.049 0.000 1.143 366 G CA 0.415 45.514 45.100 -0.001 0.000 0.784 366 G HN 0.251 nan 8.290 nan 0.000 0.541 367 V N 1.925 121.859 119.914 0.033 0.000 2.361 367 V HA 0.224 4.347 4.120 0.005 0.000 0.252 367 V C -1.487 174.629 176.094 0.037 0.000 0.986 367 V CA -1.125 61.198 62.300 0.038 0.000 1.033 367 V CB 1.476 33.295 31.823 -0.007 0.000 1.282 367 V HN 0.077 nan 8.190 nan 0.000 0.514 368 P HA -0.122 nan 4.420 nan 0.000 0.221 368 P C 1.122 178.434 177.300 0.021 0.000 1.150 368 P CA 0.993 64.106 63.100 0.021 0.000 0.800 368 P CB 0.581 32.287 31.700 0.011 0.000 0.787 369 Q N -0.301 119.523 119.800 0.041 0.000 2.482 369 Q HA 0.197 4.540 4.340 0.005 0.000 0.209 369 Q C 0.820 176.829 176.000 0.014 0.000 0.961 369 Q CA 0.123 55.943 55.803 0.028 0.000 0.945 369 Q CB -0.575 28.191 28.738 0.047 0.000 1.012 369 Q HN 0.194 nan 8.270 nan 0.000 0.515 370 A N 0.608 123.436 122.820 0.013 0.000 2.366 370 A HA 0.479 4.802 4.320 0.005 0.000 0.272 370 A C 0.320 177.903 177.584 -0.000 0.000 1.135 370 A CA -0.470 51.568 52.037 0.001 0.000 0.804 370 A CB 0.316 19.320 19.000 0.008 0.000 1.064 370 A HN 0.333 nan 8.150 nan 0.000 0.499 371 S N 2.072 117.768 115.700 -0.008 0.000 2.587 371 S HA 0.061 4.534 4.470 0.005 0.000 0.260 371 S C 0.446 175.052 174.600 0.009 0.000 1.353 371 S CA 0.221 58.419 58.200 -0.003 0.000 0.995 371 S CB 0.323 63.517 63.200 -0.011 0.000 0.912 371 S HN 0.636 nan 8.310 nan 0.000 0.568 372 D N 0.139 120.548 120.400 0.014 0.000 2.116 372 D HA -0.106 4.537 4.640 0.005 0.000 0.193 372 D C 1.731 178.055 176.300 0.040 0.000 0.998 372 D CA 1.093 55.108 54.000 0.025 0.000 0.836 372 D CB -0.455 40.359 40.800 0.024 0.000 0.951 372 D HN 0.425 nan 8.370 nan 0.000 0.449 373 L N 0.715 121.961 121.223 0.037 0.000 2.017 373 L HA -0.042 4.301 4.340 0.005 0.000 0.208 373 L C 2.099 179.018 176.870 0.082 0.000 1.073 373 L CA 1.877 56.752 54.840 0.059 0.000 0.745 373 L CB -0.969 41.118 42.059 0.047 0.000 0.894 373 L HN -0.002 nan 8.230 nan 0.000 0.432 374 A N -0.542 122.306 122.820 0.046 0.000 1.902 374 A HA -0.112 4.211 4.320 0.005 0.000 0.217 374 A C 2.448 180.091 177.584 0.098 0.000 1.181 374 A CA 1.874 53.941 52.037 0.049 0.000 0.623 374 A CB -1.158 17.825 19.000 -0.029 0.000 0.818 374 A HN 0.578 nan 8.150 nan 0.000 0.443 375 A N -0.705 122.155 122.820 0.067 0.000 1.902 375 A HA -0.161 4.162 4.320 0.005 0.000 0.217 375 A C 2.017 179.658 177.584 0.094 0.000 1.181 375 A CA 1.722 53.796 52.037 0.061 0.000 0.623 375 A CB -0.447 18.569 19.000 0.027 0.000 0.818 375 A HN 0.439 nan 8.150 nan 0.000 0.443 376 E N -0.074 120.190 120.200 0.108 0.000 2.110 376 E HA -0.145 4.208 4.350 0.005 0.000 0.193 376 E C 2.372 179.080 176.600 0.180 0.000 0.988 376 E CA 1.167 57.650 56.400 0.139 0.000 0.804 376 E CB -0.480 29.293 29.700 0.121 0.000 0.745 376 E HN 0.537 nan 8.360 nan 0.000 0.458 377 A N 0.806 123.753 122.820 0.211 0.000 1.865 377 A HA -0.185 4.138 4.320 0.005 0.000 0.217 377 A C 2.619 180.275 177.584 0.120 0.000 1.191 377 A CA 1.844 54.040 52.037 0.265 0.000 0.623 377 A CB -0.880 18.454 19.000 0.557 0.000 0.826 377 A HN 0.155 nan 8.150 nan 0.000 0.444 378 V N -0.419 119.617 119.914 0.204 0.000 2.282 378 V HA -0.270 3.853 4.120 0.005 0.000 0.249 378 V C 2.573 178.843 176.094 0.293 0.000 1.057 378 V CA 2.160 64.548 62.300 0.146 0.000 1.032 378 V CB -0.902 31.029 31.823 0.180 0.000 0.645 378 V HN 0.378 nan 8.190 nan 0.000 0.447 379 V N -0.565 119.497 119.914 0.247 0.000 2.343 379 V HA -0.213 3.910 4.120 0.005 0.000 0.247 379 V C 2.368 178.722 176.094 0.433 0.000 1.051 379 V CA 1.533 64.062 62.300 0.382 0.000 1.036 379 V CB -0.474 31.509 31.823 0.268 0.000 0.654 379 V HN 0.395 nan 8.190 nan 0.000 0.451 380 L N -0.444 121.001 121.223 0.370 0.000 2.046 380 L HA -0.207 4.136 4.340 0.005 0.000 0.208 380 L C 2.438 179.531 176.870 0.371 0.000 1.077 380 L CA 2.466 57.593 54.840 0.478 0.000 0.747 380 L CB -1.309 40.911 42.059 0.268 0.000 0.896 380 L HN 0.515 nan 8.230 nan 0.000 0.432 381 H N -1.146 117.919 119.070 -0.008 0.000 2.326 381 H HA -0.189 4.369 4.556 0.003 0.000 0.301 381 H C 1.913 177.139 175.328 -0.170 0.000 1.081 381 H CA 1.983 57.873 56.048 -0.263 0.000 1.334 381 H CB -0.016 29.245 29.762 -0.835 0.000 1.385 381 H HN 0.214 nan 8.280 nan 0.000 0.504 382 Y N -0.069 120.337 120.300 0.177 0.000 2.517 382 Y HA 0.104 4.658 4.550 0.006 0.000 0.281 382 Y C 0.873 176.835 175.900 0.103 0.000 1.125 382 Y CA 0.433 58.661 58.100 0.214 0.000 1.283 382 Y CB 0.194 38.899 38.460 0.407 0.000 1.042 382 Y HN 0.052 nan 8.280 nan 0.000 0.547 383 T N 1.413 115.989 114.554 0.037 0.000 2.916 383 T HA -0.052 4.301 4.350 0.005 0.000 0.303 383 T C -0.248 174.113 174.700 -0.566 0.000 1.025 383 T CA -0.207 61.629 62.100 -0.439 0.000 1.142 383 T CB 0.262 68.437 68.868 -1.154 0.000 0.947 383 T HN 0.072 nan 8.240 nan 0.000 0.544 384 D N 1.960 121.933 120.400 -0.712 0.000 2.380 384 D HA 0.099 4.742 4.640 0.005 0.000 0.230 384 D C 0.030 176.004 176.300 -0.543 0.000 1.154 384 D CA -0.747 52.843 54.000 -0.683 0.000 0.859 384 D CB 0.340 40.499 40.800 -1.068 0.000 1.045 384 D HN 0.603 nan 8.370 nan 0.000 0.495 385 W N 3.102 124.300 121.300 -0.170 0.000 2.825 385 W HA 0.074 4.736 4.660 0.003 0.000 0.243 385 W C 1.867 178.280 176.519 -0.176 0.000 1.293 385 W CA -0.248 57.016 57.345 -0.135 0.000 1.403 385 W CB 0.008 29.404 29.460 -0.106 0.000 1.134 385 W HN 0.427 nan 8.180 nan 0.000 0.666 386 L N -1.258 119.898 121.223 -0.111 0.000 2.179 386 L HA -0.086 4.257 4.340 0.005 0.000 0.208 386 L C 0.378 176.867 176.870 -0.634 0.000 1.096 386 L CA 1.190 55.812 54.840 -0.364 0.000 0.779 386 L CB -0.287 41.513 42.059 -0.432 0.000 0.922 386 L HN 0.022 nan 8.230 nan 0.000 0.443 387 H N -2.122 116.854 119.070 -0.157 0.000 2.616 387 H HA 0.141 4.700 4.556 0.004 0.000 0.229 387 H C -1.839 173.352 175.328 -0.228 0.000 1.418 387 H CA -1.113 54.839 56.048 -0.160 0.000 1.248 387 H CB 0.232 29.898 29.762 -0.161 0.000 1.822 387 H HN -0.041 nan 8.280 nan 0.000 0.522 388 P HA -0.151 nan 4.420 nan 0.000 0.222 388 P C 0.745 177.927 177.300 -0.195 0.000 1.147 388 P CA 1.210 64.108 63.100 -0.338 0.000 0.790 388 P CB 0.657 32.162 31.700 -0.325 0.000 0.780 389 E N -0.603 119.549 120.200 -0.080 0.000 2.498 389 E HA 0.026 4.380 4.350 0.005 0.000 0.203 389 E C 0.375 176.955 176.600 -0.034 0.000 1.013 389 E CA -0.084 56.291 56.400 -0.043 0.000 0.927 389 E CB 0.089 29.784 29.700 -0.009 0.000 1.012 389 E HN 0.361 nan 8.360 nan 0.000 0.482 390 D N 2.244 122.631 120.400 -0.021 0.000 2.358 390 D HA 0.018 4.661 4.640 0.005 0.000 0.258 390 D C -1.801 174.474 176.300 -0.042 0.000 1.223 390 D CA -1.790 52.200 54.000 -0.016 0.000 0.886 390 D CB 1.724 42.523 40.800 -0.001 0.000 1.120 390 D HN -0.142 nan 8.370 nan 0.000 0.482 391 P HA -0.075 nan 4.420 nan 0.000 0.218 391 P C 1.209 178.432 177.300 -0.129 0.000 1.149 391 P CA 0.924 63.959 63.100 -0.109 0.000 0.817 391 P CB 0.298 31.928 31.700 -0.116 0.000 0.785 392 T N -1.871 112.628 114.554 -0.092 0.000 2.770 392 T HA -0.158 4.195 4.350 0.005 0.000 0.263 392 T C 1.740 176.405 174.700 -0.057 0.000 1.039 392 T CA 1.480 63.532 62.100 -0.080 0.000 1.142 392 T CB -0.997 67.842 68.868 -0.048 0.000 0.868 392 T HN 0.265 nan 8.240 nan 0.000 0.435 393 H N 1.020 120.026 119.070 -0.105 0.000 2.387 393 H HA 0.099 4.658 4.556 0.004 0.000 0.299 393 H C 1.965 177.208 175.328 -0.142 0.000 1.090 393 H CA 1.249 57.235 56.048 -0.102 0.000 1.332 393 H CB -0.518 29.168 29.762 -0.126 0.000 1.386 393 H HN 0.233 nan 8.280 nan 0.000 0.516 394 L N 0.038 121.082 121.223 -0.300 0.000 2.093 394 L HA -0.127 4.216 4.340 0.005 0.000 0.208 394 L C 2.900 179.661 176.870 -0.182 0.000 1.085 394 L CA 1.299 55.877 54.840 -0.438 0.000 0.755 394 L CB -0.433 41.460 42.059 -0.277 0.000 0.904 394 L HN 0.293 nan 8.230 nan 0.000 0.435 395 R N 0.408 120.848 120.500 -0.099 0.000 2.081 395 R HA -0.172 4.171 4.340 0.005 0.000 0.235 395 R C 1.480 177.878 176.300 0.164 0.000 1.131 395 R CA 1.942 58.078 56.100 0.060 0.000 0.960 395 R CB -0.270 29.903 30.300 -0.210 0.000 0.856 395 R HN 0.346 nan 8.270 nan 0.000 0.436 396 D N 0.171 120.576 120.400 0.007 0.000 2.194 396 D HA -0.001 4.642 4.640 0.005 0.000 0.204 396 D C 1.691 178.003 176.300 0.019 0.000 0.964 396 D CA 1.167 55.208 54.000 0.067 0.000 0.846 396 D CB -0.081 40.745 40.800 0.044 0.000 0.962 396 D HN 0.324 nan 8.370 nan 0.000 0.490 397 A N 0.793 123.491 122.820 -0.202 0.000 1.898 397 A HA -0.148 4.175 4.320 0.005 0.000 0.216 397 A C 2.127 179.813 177.584 0.170 0.000 1.181 397 A CA 1.319 53.310 52.037 -0.075 0.000 0.620 397 A CB -0.449 18.286 19.000 -0.441 0.000 0.819 397 A HN 0.116 nan 8.150 nan 0.000 0.442 398 M N 0.077 119.846 119.600 0.283 0.000 2.108 398 M HA -0.121 4.362 4.480 0.005 0.000 0.261 398 M C 2.317 178.659 176.300 0.070 0.000 1.066 398 M CA 2.146 57.615 55.300 0.283 0.000 1.107 398 M CB -0.657 32.157 32.600 0.358 0.000 1.356 398 M HN 0.421 nan 8.290 nan 0.000 0.406 399 S N -0.451 115.319 115.700 0.117 0.000 2.356 399 S HA -0.105 4.368 4.470 0.005 0.000 0.223 399 S C 2.053 176.721 174.600 0.113 0.000 1.032 399 S CA 1.628 59.911 58.200 0.140 0.000 1.005 399 S CB -0.627 62.731 63.200 0.264 0.000 0.867 399 S HN 0.625 nan 8.310 nan 0.000 0.449 400 A N 0.763 123.667 122.820 0.141 0.000 1.933 400 A HA -0.006 4.317 4.320 0.005 0.000 0.218 400 A C 2.356 179.971 177.584 0.052 0.000 1.175 400 A CA 1.781 53.938 52.037 0.200 0.000 0.628 400 A CB -1.057 18.182 19.000 0.399 0.000 0.814 400 A HN 0.464 nan 8.150 nan 0.000 0.444 401 V N -0.549 119.231 119.914 -0.222 0.000 2.295 401 V HA -0.232 3.891 4.120 0.005 0.000 0.246 401 V C 2.569 178.536 176.094 -0.212 0.000 1.049 401 V CA 2.090 64.150 62.300 -0.399 0.000 1.024 401 V CB -0.671 30.947 31.823 -0.341 0.000 0.648 401 V HN 0.381 nan 8.190 nan 0.000 0.447 402 V N 0.567 120.399 119.914 -0.137 0.000 2.323 402 V HA -0.106 4.017 4.120 0.005 0.000 0.244 402 V C 2.597 178.535 176.094 -0.260 0.000 1.041 402 V CA 2.068 64.270 62.300 -0.164 0.000 1.025 402 V CB -1.227 30.565 31.823 -0.051 0.000 0.656 402 V HN 0.603 nan 8.190 nan 0.000 0.451 403 G N -0.323 108.412 108.800 -0.108 0.000 2.421 403 G HA2 -0.237 3.726 3.960 0.005 0.000 0.216 403 G HA3 -0.237 3.726 3.960 0.005 0.000 0.216 403 G C 1.231 176.029 174.900 -0.169 0.000 1.171 403 G CA 1.032 46.085 45.100 -0.079 0.000 0.775 403 G HN 0.490 nan 8.290 nan 0.000 0.543 404 D N -0.182 120.138 120.400 -0.133 0.000 2.097 404 D HA -0.102 4.541 4.640 0.005 0.000 0.195 404 D C 2.139 178.099 176.300 -0.567 0.000 0.989 404 D CA 1.305 55.199 54.000 -0.177 0.000 0.827 404 D CB -0.502 40.371 40.800 0.122 0.000 0.966 404 D HN 0.381 nan 8.370 nan 0.000 0.456 405 H N 0.757 119.185 119.070 -1.071 0.000 2.387 405 H HA 0.027 4.586 4.556 0.004 0.000 0.299 405 H C 1.388 176.264 175.328 -0.754 0.000 1.090 405 H CA 1.558 56.751 56.048 -1.424 0.000 1.332 405 H CB 0.057 28.903 29.762 -1.525 0.000 1.386 405 H HN 0.026 nan 8.280 nan 0.000 0.516 406 N N -0.925 117.282 118.700 -0.822 0.000 2.415 406 N HA 0.024 4.767 4.740 0.005 0.000 0.174 406 N C 1.208 176.452 175.510 -0.443 0.000 1.048 406 N CA 1.009 53.524 53.050 -0.892 0.000 0.895 406 N CB 1.203 38.509 38.487 -1.968 0.000 1.036 406 N HN 0.263 nan 8.380 nan 0.000 0.449 407 V N -0.355 119.341 119.914 -0.362 0.000 3.278 407 V HA 0.069 4.192 4.120 0.005 0.000 0.215 407 V C 2.191 178.231 176.094 -0.090 0.000 1.287 407 V CA 0.180 62.419 62.300 -0.101 0.000 1.302 407 V CB -0.191 31.655 31.823 0.038 0.000 1.228 407 V HN -0.184 nan 8.190 nan 0.000 0.523 408 V N 0.264 120.126 119.914 -0.088 0.000 2.287 408 V HA -0.299 3.824 4.120 0.005 0.000 0.248 408 V C 2.516 178.569 176.094 -0.068 0.000 1.053 408 V CA 2.654 64.920 62.300 -0.057 0.000 1.027 408 V CB -0.792 31.029 31.823 -0.002 0.000 0.646 408 V HN 0.679 nan 8.190 nan 0.000 0.447 409 c N -0.581 117.971 118.600 -0.080 0.000 2.466 409 c HA 0.023 4.596 4.570 0.005 0.000 0.278 409 c C 0.568 174.625 174.090 -0.056 0.000 1.288 409 c CA 0.769 57.086 56.329 -0.021 0.000 1.722 409 c CB -1.804 40.743 42.510 0.062 0.000 2.017 409 c HN 0.457 nan 8.230 nan 0.000 0.488 410 P HA -0.090 nan 4.420 nan 0.000 0.215 410 P C 1.766 178.994 177.300 -0.120 0.000 1.153 410 P CA 1.437 64.458 63.100 -0.133 0.000 0.853 410 P CB -0.165 31.419 31.700 -0.192 0.000 0.788 411 V N 0.088 119.932 119.914 -0.117 0.000 2.343 411 V HA -0.284 3.839 4.120 0.005 0.000 0.247 411 V C 2.452 178.437 176.094 -0.182 0.000 1.051 411 V CA 2.274 64.486 62.300 -0.146 0.000 1.036 411 V CB -1.752 29.982 31.823 -0.147 0.000 0.654 411 V HN 0.109 nan 8.190 nan 0.000 0.451 412 A N -0.689 122.046 122.820 -0.141 0.000 1.865 412 A HA -0.328 3.995 4.320 0.005 0.000 0.217 412 A C 2.175 179.720 177.584 -0.066 0.000 1.191 412 A CA 2.332 54.300 52.037 -0.114 0.000 0.623 412 A CB -0.673 18.318 19.000 -0.015 0.000 0.826 412 A HN 0.503 nan 8.150 nan 0.000 0.444 413 Q N -0.783 118.997 119.800 -0.033 0.000 2.061 413 Q HA -0.154 4.189 4.340 0.005 0.000 0.204 413 Q C 1.956 177.930 176.000 -0.043 0.000 0.984 413 Q CA 1.804 57.601 55.803 -0.011 0.000 0.846 413 Q CB -0.578 28.156 28.738 -0.007 0.000 0.902 413 Q HN 0.588 nan 8.270 nan 0.000 0.421 414 L N -0.065 121.101 121.223 -0.096 0.000 1.989 414 L HA -0.137 4.206 4.340 0.005 0.000 0.211 414 L C 2.038 178.821 176.870 -0.145 0.000 1.071 414 L CA 2.413 57.175 54.840 -0.130 0.000 0.749 414 L CB -1.069 40.897 42.059 -0.155 0.000 0.890 414 L HN 0.213 nan 8.230 nan 0.000 0.431 415 A N -0.552 122.139 122.820 -0.215 0.000 1.908 415 A HA -0.101 4.222 4.320 0.005 0.000 0.218 415 A C 2.318 179.883 177.584 -0.032 0.000 1.181 415 A CA 1.743 53.599 52.037 -0.302 0.000 0.627 415 A CB -1.676 16.821 19.000 -0.839 0.000 0.818 415 A HN 0.576 nan 8.150 nan 0.000 0.445 416 G N -0.614 108.235 108.800 0.081 0.000 2.453 416 G HA2 -0.213 3.750 3.960 0.005 0.000 0.215 416 G HA3 -0.213 3.750 3.960 0.005 0.000 0.215 416 G C 1.654 176.643 174.900 0.148 0.000 1.201 416 G CA 0.836 46.092 45.100 0.260 0.000 0.784 416 G HN 0.386 nan 8.290 nan 0.000 0.545 417 R N -0.163 120.385 120.500 0.080 0.000 2.081 417 R HA 0.046 4.389 4.340 0.005 0.000 0.235 417 R C 2.540 178.902 176.300 0.103 0.000 1.131 417 R CA 0.471 56.623 56.100 0.087 0.000 0.960 417 R CB -1.276 29.064 30.300 0.066 0.000 0.856 417 R HN 0.324 nan 8.270 nan 0.000 0.436 418 L N 0.519 121.746 121.223 0.007 0.000 2.017 418 L HA -0.065 4.278 4.340 0.005 0.000 0.208 418 L C 2.402 179.334 176.870 0.104 0.000 1.073 418 L CA 2.034 56.851 54.840 -0.038 0.000 0.745 418 L CB -1.235 40.706 42.059 -0.197 0.000 0.894 418 L HN 0.162 nan 8.230 nan 0.000 0.432 419 A N -0.806 122.087 122.820 0.122 0.000 1.902 419 A HA -0.147 4.176 4.320 0.005 0.000 0.217 419 A C 2.366 180.020 177.584 0.116 0.000 1.181 419 A CA 1.709 53.828 52.037 0.138 0.000 0.623 419 A CB -0.952 18.171 19.000 0.205 0.000 0.818 419 A HN 0.395 nan 8.150 nan 0.000 0.443 420 A N -1.554 121.339 122.820 0.121 0.000 2.178 420 A HA -0.053 4.270 4.320 0.005 0.000 0.218 420 A C 1.634 179.283 177.584 0.107 0.000 1.157 420 A CA 1.404 53.500 52.037 0.098 0.000 0.689 420 A CB -0.269 18.788 19.000 0.094 0.000 0.787 420 A HN 0.638 nan 8.150 nan 0.000 0.465 421 Q N -2.153 117.741 119.800 0.156 0.000 2.115 421 Q HA 0.374 4.717 4.340 0.005 0.000 0.249 421 Q C 0.747 176.855 176.000 0.179 0.000 0.830 421 Q CA 0.289 56.195 55.803 0.172 0.000 1.104 421 Q CB 0.770 29.659 28.738 0.252 0.000 1.207 421 Q HN 0.738 nan 8.270 nan 0.000 0.464 422 G N 0.197 109.081 108.800 0.140 0.000 2.213 422 G HA2 -0.279 3.684 3.960 0.005 0.000 0.236 422 G HA3 -0.279 3.684 3.960 0.005 0.000 0.236 422 G C 0.342 175.324 174.900 0.136 0.000 0.991 422 G CA -0.164 45.004 45.100 0.114 0.000 0.629 422 G HN 0.524 nan 8.290 nan 0.000 0.517 423 A N 0.119 123.047 122.820 0.181 0.000 2.407 423 A HA 0.684 5.008 4.320 0.005 0.000 0.248 423 A C 0.658 178.305 177.584 0.106 0.000 1.082 423 A CA 0.660 52.791 52.037 0.157 0.000 0.785 423 A CB 0.262 19.334 19.000 0.121 0.000 1.020 423 A HN 0.824 nan 8.150 nan 0.000 0.489 424 R N 2.014 122.580 120.500 0.109 0.000 2.210 424 R HA 0.458 4.801 4.340 0.005 0.000 0.338 424 R C -1.305 175.051 176.300 0.094 0.000 1.062 424 R CA -0.089 56.058 56.100 0.080 0.000 0.902 424 R CB 0.219 30.597 30.300 0.130 0.000 1.050 424 R HN 0.462 nan 8.270 nan 0.000 0.461 425 V N 5.895 125.805 119.914 -0.007 0.000 2.459 425 V HA 0.371 4.494 4.120 0.005 0.000 0.295 425 V C -0.868 175.139 176.094 -0.144 0.000 1.029 425 V CA -0.739 61.569 62.300 0.012 0.000 0.874 425 V CB 1.265 33.129 31.823 0.068 0.000 0.985 425 V HN 0.626 nan 8.190 nan 0.000 0.438 426 Y N 2.223 122.501 120.300 -0.038 0.000 2.393 426 Y HA 0.772 5.326 4.550 0.006 0.000 0.341 426 Y C 0.338 176.331 175.900 0.155 0.000 0.988 426 Y CA -0.525 57.544 58.100 -0.052 0.000 1.078 426 Y CB 2.162 40.205 38.460 -0.694 0.000 1.203 426 Y HN 0.753 nan 8.280 nan 0.000 0.453 427 A N 3.386 126.622 122.820 0.692 0.000 2.386 427 A HA 0.813 5.136 4.320 0.005 0.000 0.311 427 A C -1.814 176.184 177.584 0.689 0.000 1.068 427 A CA -0.676 51.625 52.037 0.440 0.000 0.743 427 A CB 0.785 19.895 19.000 0.184 0.000 1.258 427 A HN 0.734 nan 8.150 nan 0.000 0.429 428 Y N -0.059 120.512 120.300 0.450 0.000 2.605 428 Y HA 0.818 5.370 4.550 0.003 0.000 0.343 428 Y C -0.996 175.082 175.900 0.297 0.000 1.036 428 Y CA -1.773 56.516 58.100 0.315 0.000 1.065 428 Y CB 1.394 40.035 38.460 0.302 0.000 1.288 428 Y HN 0.677 nan 8.280 nan 0.000 0.481 429 I N 3.033 123.922 120.570 0.533 0.000 2.466 429 I HA 0.451 4.624 4.170 0.005 0.000 0.289 429 I C -1.885 174.579 176.117 0.579 0.000 1.026 429 I CA -1.033 60.543 61.300 0.459 0.000 1.078 429 I CB 1.108 39.313 38.000 0.342 0.000 1.249 429 I HN 0.731 nan 8.210 nan 0.000 0.429 430 F N 7.465 127.726 119.950 0.519 0.000 2.391 430 F HA 0.414 4.944 4.527 0.006 0.000 0.359 430 F C 0.529 176.498 175.800 0.282 0.000 1.122 430 F CA 0.038 58.278 58.000 0.399 0.000 1.120 430 F CB 0.926 40.181 39.000 0.423 0.000 1.142 430 F HN 0.558 nan 8.300 nan 0.000 0.483 431 E N 3.063 123.143 120.200 -0.201 0.000 2.583 431 E HA -0.023 4.330 4.350 0.005 0.000 0.213 431 E C -0.739 175.751 176.600 -0.182 0.000 0.989 431 E CA -0.148 56.213 56.400 -0.066 0.000 0.991 431 E CB 0.272 29.951 29.700 -0.034 0.000 1.040 431 E HN 0.554 nan 8.360 nan 0.000 0.481 432 H N 1.302 120.003 119.070 -0.615 0.000 2.517 432 H HA 0.250 4.809 4.556 0.004 0.000 0.317 432 H C -0.442 174.867 175.328 -0.032 0.000 1.080 432 H CA -0.497 55.268 56.048 -0.471 0.000 1.301 432 H CB 0.569 29.798 29.762 -0.888 0.000 1.425 432 H HN -0.162 nan 8.280 nan 0.000 0.471 433 R N 4.171 124.297 120.500 -0.624 0.000 2.221 433 R HA 0.492 4.835 4.340 0.005 0.000 0.327 433 R C -0.559 175.442 176.300 -0.499 0.000 1.033 433 R CA -0.619 55.296 56.100 -0.308 0.000 0.887 433 R CB 0.383 30.586 30.300 -0.161 0.000 1.057 433 R HN 0.828 nan 8.270 nan 0.000 0.455 434 A N 3.248 126.123 122.820 0.091 0.000 2.567 434 A HA -0.024 4.299 4.320 0.005 0.000 0.240 434 A C 1.406 179.094 177.584 0.173 0.000 1.053 434 A CA 0.656 52.960 52.037 0.444 0.000 0.755 434 A CB 0.206 19.567 19.000 0.603 0.000 0.978 434 A HN 1.048 nan 8.150 nan 0.000 0.507 435 S N 1.848 117.697 115.700 0.249 0.000 2.440 435 S HA -0.203 4.270 4.470 0.005 0.000 0.240 435 S C 1.467 176.069 174.600 0.003 0.000 1.014 435 S CA 1.912 60.180 58.200 0.114 0.000 0.980 435 S CB -0.908 62.387 63.200 0.158 0.000 0.775 435 S HN 1.338 nan 8.310 nan 0.000 0.499 436 T N -1.091 113.430 114.554 -0.054 0.000 3.081 436 T HA 0.297 4.650 4.350 0.005 0.000 0.255 436 T C 0.515 175.141 174.700 -0.123 0.000 1.113 436 T CA -0.430 61.560 62.100 -0.184 0.000 1.082 436 T CB -0.574 68.030 68.868 -0.439 0.000 0.939 436 T HN 0.268 nan 8.240 nan 0.000 0.506 437 L N 4.240 125.434 121.223 -0.047 0.000 2.578 437 L HA 0.172 4.515 4.340 0.005 0.000 0.279 437 L C 1.515 178.318 176.870 -0.111 0.000 1.227 437 L CA 0.843 55.640 54.840 -0.072 0.000 0.900 437 L CB 0.580 42.612 42.059 -0.045 0.000 1.144 437 L HN 0.450 nan 8.230 nan 0.000 0.496 438 T N -0.100 114.332 114.554 -0.202 0.000 3.086 438 T HA 0.109 4.462 4.350 0.005 0.000 0.250 438 T C 0.376 175.031 174.700 -0.076 0.000 1.074 438 T CA -0.442 61.553 62.100 -0.176 0.000 0.988 438 T CB -0.341 68.335 68.868 -0.320 0.000 0.988 438 T HN 0.442 nan 8.240 nan 0.000 0.530 439 W N 3.144 124.422 121.300 -0.038 0.000 2.161 439 W HA 0.429 5.092 4.660 0.006 0.000 0.344 439 W C -1.947 174.440 176.519 -0.219 0.000 1.262 439 W CA -2.312 54.953 57.345 -0.132 0.000 1.270 439 W CB 0.223 29.497 29.460 -0.311 0.000 1.126 439 W HN -0.054 nan 8.180 nan 0.000 0.598 440 P HA 0.013 nan 4.420 nan 0.000 0.273 440 P C 0.396 177.607 177.300 -0.148 0.000 1.250 440 P CA -0.001 63.047 63.100 -0.085 0.000 0.793 440 P CB 0.852 32.526 31.700 -0.043 0.000 1.011 441 L N -0.353 120.856 121.223 -0.024 0.000 2.141 441 L HA -0.096 4.247 4.340 0.005 0.000 0.209 441 L C 2.573 179.465 176.870 0.037 0.000 1.094 441 L CA 1.397 56.243 54.840 0.010 0.000 0.763 441 L CB -0.969 41.128 42.059 0.064 0.000 0.908 441 L HN 0.587 nan 8.230 nan 0.000 0.437 442 W N -1.041 120.294 121.300 0.058 0.000 2.402 442 W HA -0.164 4.498 4.660 0.004 0.000 0.286 442 W C 1.788 178.356 176.519 0.081 0.000 1.221 442 W CA 0.597 57.982 57.345 0.068 0.000 1.257 442 W CB -0.904 28.599 29.460 0.072 0.000 1.120 442 W HN 0.156 nan 8.180 nan 0.000 0.551 443 M N 1.541 120.709 119.600 -0.721 0.000 2.549 443 M HA 0.053 4.536 4.480 0.005 0.000 0.260 443 M C 1.821 177.990 176.300 -0.217 0.000 1.076 443 M CA 1.716 56.585 55.300 -0.719 0.000 1.090 443 M CB -0.887 31.123 32.600 -0.983 0.000 1.418 443 M HN 0.244 nan 8.290 nan 0.000 0.486 444 G N 0.455 109.202 108.800 -0.089 0.000 2.591 444 G HA2 -0.300 3.664 3.960 0.005 0.000 0.298 444 G HA3 -0.300 3.664 3.960 0.005 0.000 0.298 444 G C -0.131 174.778 174.900 0.015 0.000 1.195 444 G CA -0.080 45.028 45.100 0.013 0.000 0.989 444 G HN 0.249 nan 8.290 nan 0.000 0.551 445 V N 3.740 123.714 119.914 0.101 0.000 2.288 445 V HA 0.466 4.589 4.120 0.005 0.000 0.266 445 V C -1.725 174.512 176.094 0.238 0.000 1.048 445 V CA -0.794 61.625 62.300 0.198 0.000 0.842 445 V CB 1.190 33.199 31.823 0.311 0.000 1.064 445 V HN 0.542 nan 8.190 nan 0.000 0.472 446 P HA 0.189 nan 4.420 nan 0.000 0.276 446 P C -0.218 177.373 177.300 0.486 0.000 1.261 446 P CA -0.574 62.684 63.100 0.263 0.000 0.800 446 P CB 0.393 32.114 31.700 0.035 0.000 1.066 447 H N 0.166 119.419 119.070 0.306 0.000 3.140 447 H HA 0.227 4.786 4.556 0.004 0.000 0.316 447 H C 1.607 176.987 175.328 0.088 0.000 0.986 447 H CA 2.440 58.602 56.048 0.189 0.000 1.397 447 H CB -0.697 29.136 29.762 0.119 0.000 1.377 447 H HN 0.743 nan 8.280 nan 0.000 0.585 448 G N 3.388 112.059 108.800 -0.216 0.000 2.176 448 G HA2 -0.333 3.630 3.960 0.005 0.000 0.253 448 G HA3 -0.333 3.630 3.960 0.005 0.000 0.253 448 G C 0.581 175.447 174.900 -0.056 0.000 0.979 448 G CA 0.499 45.459 45.100 -0.233 0.000 0.641 448 G HN 0.666 nan 8.290 nan 0.000 0.530 449 Y N 1.126 121.578 120.300 0.253 0.000 2.470 449 Y HA 0.245 4.798 4.550 0.004 0.000 0.284 449 Y C 2.282 178.294 175.900 0.187 0.000 1.188 449 Y CA 0.852 59.138 58.100 0.310 0.000 1.269 449 Y CB 0.467 39.154 38.460 0.379 0.000 1.094 449 Y HN 0.491 nan 8.280 nan 0.000 0.518 450 E N 0.158 120.290 120.200 -0.112 0.000 2.340 450 E HA -0.047 4.306 4.350 0.005 0.000 0.194 450 E C 1.609 178.062 176.600 -0.244 0.000 0.996 450 E CA 0.579 56.513 56.400 -0.776 0.000 0.869 450 E CB -0.387 28.406 29.700 -1.513 0.000 0.835 450 E HN 0.528 nan 8.360 nan 0.000 0.493 451 I N 2.858 123.395 120.570 -0.055 0.000 2.118 451 I HA -0.327 3.846 4.170 0.005 0.000 0.241 451 I C 2.681 178.771 176.117 -0.046 0.000 1.070 451 I CA 2.257 63.566 61.300 0.016 0.000 1.327 451 I CB -0.486 37.589 38.000 0.123 0.000 1.034 451 I HN 0.217 nan 8.210 nan 0.000 0.405 452 E N 0.894 121.007 120.200 -0.144 0.000 2.209 452 E HA -0.234 4.119 4.350 0.005 0.000 0.196 452 E C 2.023 178.347 176.600 -0.461 0.000 0.993 452 E CA 1.459 57.666 56.400 -0.322 0.000 0.819 452 E CB -0.499 28.988 29.700 -0.355 0.000 0.745 452 E HN 0.451 nan 8.360 nan 0.000 0.477 453 F N 1.284 121.107 119.950 -0.212 0.000 2.118 453 F HA -0.042 4.489 4.527 0.008 0.000 0.293 453 F C 2.338 177.894 175.800 -0.407 0.000 1.102 453 F CA 0.449 58.266 58.000 -0.306 0.000 1.247 453 F CB -0.242 38.652 39.000 -0.178 0.000 1.017 453 F HN -0.060 nan 8.300 nan 0.000 0.475 454 I N -0.366 120.028 120.570 -0.293 0.000 2.185 454 I HA -0.321 3.852 4.170 0.005 0.000 0.246 454 I C 2.175 178.039 176.117 -0.421 0.000 1.088 454 I CA 1.717 62.662 61.300 -0.592 0.000 1.347 454 I CB -1.599 35.933 38.000 -0.780 0.000 1.041 454 I HN 0.081 nan 8.210 nan 0.000 0.415 455 F N 0.747 120.492 119.950 -0.342 0.000 2.661 455 F HA 0.209 4.739 4.527 0.005 0.000 0.298 455 F C 1.899 177.541 175.800 -0.263 0.000 1.137 455 F CA 0.843 58.688 58.000 -0.258 0.000 1.454 455 F CB -0.373 38.452 39.000 -0.292 0.000 1.103 455 F HN 0.297 nan 8.300 nan 0.000 0.577 456 G N 0.305 108.934 108.800 -0.285 0.000 2.182 456 G HA2 -0.305 3.658 3.960 0.005 0.000 0.248 456 G HA3 -0.305 3.658 3.960 0.005 0.000 0.248 456 G C 0.979 175.249 174.900 -1.050 0.000 1.042 456 G CA 0.324 45.135 45.100 -0.482 0.000 0.775 456 G HN 0.321 nan 8.290 nan 0.000 0.501 457 L N 0.284 120.913 121.223 -0.990 0.000 2.043 457 L HA -0.006 4.337 4.340 0.005 0.000 0.212 457 L C 0.571 176.807 176.870 -1.056 0.000 1.075 457 L CA 2.875 57.030 54.840 -1.142 0.000 0.752 457 L CB -0.926 40.770 42.059 -0.604 0.000 0.891 457 L HN 0.232 nan 8.230 nan 0.000 0.432 458 P HA -0.190 nan 4.420 nan 0.000 0.219 458 P C 1.624 178.646 177.300 -0.464 0.000 1.144 458 P CA 0.998 63.428 63.100 -1.116 0.000 0.806 458 P CB 0.010 31.119 31.700 -0.986 0.000 0.771 459 L N -1.157 119.751 121.223 -0.525 0.000 2.275 459 L HA -0.066 4.277 4.340 0.005 0.000 0.215 459 L C 1.002 177.788 176.870 -0.139 0.000 1.119 459 L CA 1.282 55.952 54.840 -0.283 0.000 0.790 459 L CB -1.205 40.705 42.059 -0.247 0.000 0.919 459 L HN -0.028 nan 8.230 nan 0.000 0.443 460 D N 0.560 120.837 120.400 -0.205 0.000 2.359 460 D HA 0.038 4.681 4.640 0.005 0.000 0.250 460 D C -1.460 174.862 176.300 0.036 0.000 1.264 460 D CA -1.741 52.284 54.000 0.041 0.000 0.911 460 D CB 1.346 42.212 40.800 0.110 0.000 1.056 460 D HN 0.063 nan 8.370 nan 0.000 0.499 461 P HA -0.157 nan 4.420 nan 0.000 0.218 461 P C 1.139 178.461 177.300 0.035 0.000 1.149 461 P CA 0.786 63.909 63.100 0.038 0.000 0.817 461 P CB -0.004 31.714 31.700 0.030 0.000 0.785 462 S N -0.994 114.724 115.700 0.030 0.000 2.584 462 S HA -0.022 4.451 4.470 0.005 0.000 0.240 462 S C 1.600 176.200 174.600 -0.000 0.000 0.975 462 S CA 0.397 58.604 58.200 0.011 0.000 0.949 462 S CB -1.413 61.792 63.200 0.009 0.000 0.761 462 S HN 0.130 nan 8.310 nan 0.000 0.536 463 L N 0.633 121.874 121.223 0.029 0.000 2.628 463 L HA 0.258 4.601 4.340 0.005 0.000 0.229 463 L C 0.266 177.059 176.870 -0.128 0.000 1.137 463 L CA -0.214 54.626 54.840 -0.001 0.000 0.909 463 L CB -0.494 41.649 42.059 0.139 0.000 1.137 463 L HN 0.215 nan 8.230 nan 0.000 0.470 464 N N -1.826 116.835 118.700 -0.064 0.000 2.828 464 N HA -0.249 4.494 4.740 0.005 0.000 0.248 464 N C -0.249 175.188 175.510 -0.121 0.000 1.044 464 N CA 0.974 53.962 53.050 -0.102 0.000 0.851 464 N CB -1.679 36.721 38.487 -0.145 0.000 1.136 464 N HN 0.290 nan 8.380 nan 0.000 0.572 465 Y N 1.347 121.633 120.300 -0.023 0.000 2.457 465 Y HA 0.128 4.681 4.550 0.005 0.000 0.341 465 Y C 1.988 177.914 175.900 0.043 0.000 1.240 465 Y CA 0.422 58.537 58.100 0.024 0.000 1.437 465 Y CB 0.397 38.857 38.460 -0.000 0.000 1.328 465 Y HN 0.069 nan 8.280 nan 0.000 0.588 466 T N -2.584 112.123 114.554 0.255 0.000 2.828 466 T HA 0.072 4.425 4.350 0.005 0.000 0.290 466 T C 1.107 175.895 174.700 0.146 0.000 1.019 466 T CA -0.346 61.850 62.100 0.160 0.000 1.031 466 T CB 0.921 69.876 68.868 0.146 0.000 1.001 466 T HN 0.711 nan 8.240 nan 0.000 0.531 467 T N 1.302 115.910 114.554 0.089 0.000 2.788 467 T HA -0.077 4.276 4.350 0.005 0.000 0.268 467 T C 1.774 176.512 174.700 0.063 0.000 1.044 467 T CA 1.782 63.921 62.100 0.065 0.000 1.139 467 T CB -0.389 68.504 68.868 0.041 0.000 0.867 467 T HN 0.779 nan 8.240 nan 0.000 0.454 468 E N 1.324 121.557 120.200 0.054 0.000 2.110 468 E HA -0.099 4.254 4.350 0.005 0.000 0.193 468 E C 2.211 178.850 176.600 0.064 0.000 0.988 468 E CA 0.932 57.346 56.400 0.025 0.000 0.804 468 E CB -0.185 29.495 29.700 -0.033 0.000 0.745 468 E HN 0.563 nan 8.360 nan 0.000 0.458 469 E N 0.481 120.761 120.200 0.133 0.000 2.077 469 E HA -0.201 4.152 4.350 0.005 0.000 0.193 469 E C 2.143 178.883 176.600 0.234 0.000 0.989 469 E CA 0.784 57.370 56.400 0.311 0.000 0.800 469 E CB -0.065 29.964 29.700 0.549 0.000 0.746 469 E HN 0.119 nan 8.360 nan 0.000 0.452 470 R N 0.810 121.376 120.500 0.109 0.000 2.083 470 R HA -0.171 4.172 4.340 0.005 0.000 0.237 470 R C 2.220 178.533 176.300 0.022 0.000 1.137 470 R CA 1.366 57.472 56.100 0.011 0.000 0.951 470 R CB -0.224 30.076 30.300 0.001 0.000 0.851 470 R HN 0.123 nan 8.270 nan 0.000 0.434 471 I N 0.176 120.780 120.570 0.057 0.000 2.252 471 I HA -0.252 3.921 4.170 0.005 0.000 0.245 471 I C 2.128 178.294 176.117 0.082 0.000 1.102 471 I CA 0.986 62.315 61.300 0.047 0.000 1.385 471 I CB -0.303 37.724 38.000 0.044 0.000 1.064 471 I HN 0.194 nan 8.210 nan 0.000 0.414 472 F N 1.753 121.671 119.950 -0.054 0.000 2.134 472 F HA -0.186 4.343 4.527 0.004 0.000 0.299 472 F C 2.412 178.214 175.800 0.003 0.000 1.097 472 F CA 1.163 59.122 58.000 -0.068 0.000 1.264 472 F CB -0.711 38.174 39.000 -0.191 0.000 1.001 472 F HN 0.024 nan 8.300 nan 0.000 0.479 473 A N 0.340 123.105 122.820 -0.090 0.000 1.883 473 A HA -0.281 4.042 4.320 0.005 0.000 0.217 473 A C 2.169 179.625 177.584 -0.214 0.000 1.186 473 A CA 2.060 53.983 52.037 -0.190 0.000 0.624 473 A CB -1.054 17.838 19.000 -0.181 0.000 0.822 473 A HN 0.611 nan 8.150 nan 0.000 0.444 474 Q N -1.032 118.684 119.800 -0.139 0.000 2.096 474 Q HA -0.213 4.130 4.340 0.005 0.000 0.204 474 Q C 2.413 178.318 176.000 -0.158 0.000 0.982 474 Q CA 1.722 57.453 55.803 -0.120 0.000 0.850 474 Q CB -0.208 28.486 28.738 -0.073 0.000 0.901 474 Q HN 0.625 nan 8.270 nan 0.000 0.422 475 R N 0.287 120.684 120.500 -0.172 0.000 2.073 475 R HA -0.110 4.233 4.340 0.005 0.000 0.234 475 R C 2.299 178.358 176.300 -0.402 0.000 1.134 475 R CA 1.162 57.078 56.100 -0.305 0.000 0.952 475 R CB -0.193 30.017 30.300 -0.150 0.000 0.850 475 R HN 0.248 nan 8.270 nan 0.000 0.433 476 L N -0.086 121.008 121.223 -0.215 0.000 2.056 476 L HA -0.183 4.160 4.340 0.005 0.000 0.207 476 L C 2.520 179.387 176.870 -0.004 0.000 1.078 476 L CA 1.280 56.104 54.840 -0.027 0.000 0.749 476 L CB -0.319 41.513 42.059 -0.378 0.000 0.901 476 L HN 0.281 nan 8.230 nan 0.000 0.433 477 M N -0.643 118.871 119.600 -0.144 0.000 2.108 477 M HA -0.227 4.256 4.480 0.005 0.000 0.261 477 M C 2.329 178.634 176.300 0.009 0.000 1.066 477 M CA 1.683 56.928 55.300 -0.092 0.000 1.107 477 M CB -0.395 32.132 32.600 -0.123 0.000 1.356 477 M HN 0.109 nan 8.290 nan 0.000 0.406 478 K N -0.143 120.220 120.400 -0.062 0.000 2.032 478 K HA -0.172 4.151 4.320 0.005 0.000 0.209 478 K C 1.919 178.561 176.600 0.070 0.000 1.048 478 K CA 1.756 58.006 56.287 -0.062 0.000 0.927 478 K CB -0.506 31.880 32.500 -0.190 0.000 0.712 478 K HN 0.316 nan 8.250 nan 0.000 0.441 479 Y N -0.066 120.376 120.300 0.237 0.000 2.128 479 Y HA -0.239 4.315 4.550 0.008 0.000 0.284 479 Y C 2.420 178.451 175.900 0.218 0.000 1.154 479 Y CA 0.903 59.177 58.100 0.290 0.000 1.149 479 Y CB -0.805 38.002 38.460 0.577 0.000 0.976 479 Y HN 0.243 nan 8.280 nan 0.000 0.505 480 W N 0.570 121.948 121.300 0.130 0.000 2.355 480 W HA -0.227 4.435 4.660 0.004 0.000 0.309 480 W C 2.498 179.011 176.519 -0.009 0.000 1.206 480 W CA 2.310 59.663 57.345 0.013 0.000 1.284 480 W CB -0.662 28.727 29.460 -0.118 0.000 1.145 480 W HN 0.229 nan 8.180 nan 0.000 0.502 481 T N -2.092 112.561 114.554 0.166 0.000 2.904 481 T HA -0.128 4.225 4.350 0.005 0.000 0.267 481 T C 1.393 176.105 174.700 0.021 0.000 1.059 481 T CA 1.146 63.273 62.100 0.045 0.000 1.137 481 T CB -0.562 68.314 68.868 0.015 0.000 0.879 481 T HN -0.076 nan 8.240 nan 0.000 0.467 482 N N 1.157 119.886 118.700 0.047 0.000 2.084 482 N HA -0.005 4.738 4.740 0.005 0.000 0.190 482 N C 1.375 176.851 175.510 -0.057 0.000 1.030 482 N CA 1.096 54.148 53.050 0.004 0.000 0.849 482 N CB -0.731 37.779 38.487 0.038 0.000 1.012 482 N HN 0.505 nan 8.380 nan 0.000 0.423 483 F N 1.596 121.434 119.950 -0.187 0.000 2.171 483 F HA -0.069 4.461 4.527 0.005 0.000 0.300 483 F C 2.115 177.805 175.800 -0.184 0.000 1.090 483 F CA 1.294 59.120 58.000 -0.290 0.000 1.293 483 F CB -0.333 38.388 39.000 -0.465 0.000 1.013 483 F HN 0.033 nan 8.300 nan 0.000 0.486 484 A N 0.624 123.345 122.820 -0.165 0.000 1.902 484 A HA -0.166 4.157 4.320 0.005 0.000 0.217 484 A C 2.358 179.820 177.584 -0.204 0.000 1.181 484 A CA 1.717 53.648 52.037 -0.176 0.000 0.623 484 A CB -0.675 18.293 19.000 -0.054 0.000 0.818 484 A HN 0.466 nan 8.150 nan 0.000 0.443 485 R N -1.178 119.227 120.500 -0.158 0.000 2.062 485 R HA -0.061 4.282 4.340 0.005 0.000 0.229 485 R C 2.051 178.251 176.300 -0.168 0.000 1.128 485 R CA 1.854 57.878 56.100 -0.126 0.000 0.960 485 R CB -0.203 30.051 30.300 -0.078 0.000 0.855 485 R HN 0.713 nan 8.270 nan 0.000 0.432 486 T N -5.173 109.250 114.554 -0.217 0.000 2.975 486 T HA 0.242 4.595 4.350 0.005 0.000 0.261 486 T C 1.159 175.710 174.700 -0.249 0.000 0.984 486 T CA 0.360 62.350 62.100 -0.183 0.000 0.911 486 T CB 1.348 70.144 68.868 -0.120 0.000 1.127 486 T HN 0.338 nan 8.240 nan 0.000 0.514 487 G N 1.295 109.804 108.800 -0.485 0.000 2.143 487 G HA2 -0.174 3.789 3.960 0.005 0.000 0.248 487 G HA3 -0.174 3.789 3.960 0.005 0.000 0.248 487 G C -0.351 174.359 174.900 -0.316 0.000 0.991 487 G CA 0.209 44.939 45.100 -0.616 0.000 0.689 487 G HN 0.759 nan 8.290 nan 0.000 0.522 488 D N -0.702 119.510 120.400 -0.313 0.000 2.616 488 D HA 0.392 5.035 4.640 0.005 0.000 0.238 488 D C -1.302 174.801 176.300 -0.327 0.000 1.354 488 D CA -1.428 52.362 54.000 -0.351 0.000 0.970 488 D CB 1.939 42.665 40.800 -0.123 0.000 1.369 488 D HN 0.012 nan 8.370 nan 0.000 0.585 489 P HA -0.079 nan 4.420 nan 0.000 0.226 489 P C 0.083 177.445 177.300 0.103 0.000 1.153 489 P CA 0.229 63.184 63.100 -0.240 0.000 0.777 489 P CB 0.371 31.633 31.700 -0.730 0.000 0.794 490 N N 1.754 120.469 118.700 0.025 0.000 2.492 490 N HA -0.002 4.741 4.740 0.005 0.000 0.260 490 N C 0.180 175.764 175.510 0.123 0.000 1.215 490 N CA 0.439 53.596 53.050 0.179 0.000 0.923 490 N CB 0.432 39.018 38.487 0.164 0.000 1.092 490 N HN 0.049 nan 8.380 nan 0.000 0.448 491 D N 1.977 122.461 120.400 0.140 0.000 2.358 491 D HA 0.084 4.727 4.640 0.005 0.000 0.258 491 D C -1.351 174.990 176.300 0.068 0.000 1.223 491 D CA -1.490 52.558 54.000 0.079 0.000 0.886 491 D CB 1.293 42.132 40.800 0.065 0.000 1.120 491 D HN 0.270 nan 8.370 nan 0.000 0.482 492 P HA -0.088 nan 4.420 nan 0.000 0.216 492 P C 1.151 178.477 177.300 0.043 0.000 1.153 492 P CA 1.122 64.247 63.100 0.042 0.000 0.848 492 P CB 0.452 32.167 31.700 0.024 0.000 0.787 493 R N -0.261 120.261 120.500 0.036 0.000 2.056 493 R HA -0.035 4.308 4.340 0.005 0.000 0.227 493 R C 1.038 177.364 176.300 0.043 0.000 1.149 493 R CA 0.985 57.105 56.100 0.034 0.000 0.937 493 R CB -1.417 28.899 30.300 0.026 0.000 0.835 493 R HN 0.122 nan 8.270 nan 0.000 0.430 494 D N 1.411 121.839 120.400 0.046 0.000 2.483 494 D HA -0.043 4.600 4.640 0.005 0.000 0.261 494 D C 0.238 176.581 176.300 0.071 0.000 1.318 494 D CA 0.043 54.074 54.000 0.052 0.000 1.201 494 D CB 0.313 41.142 40.800 0.048 0.000 1.127 494 D HN 0.222 nan 8.370 nan 0.000 0.519 495 S N 1.335 117.074 115.700 0.064 0.000 2.575 495 S HA 0.043 4.516 4.470 0.005 0.000 0.215 495 S C 2.119 176.759 174.600 0.066 0.000 0.966 495 S CA 0.175 58.418 58.200 0.073 0.000 0.911 495 S CB 0.201 63.440 63.200 0.065 0.000 0.780 495 S HN 0.445 nan 8.310 nan 0.000 0.514 496 K N 2.158 122.591 120.400 0.057 0.000 2.074 496 K HA 0.068 4.391 4.320 0.005 0.000 0.209 496 K C 1.243 177.880 176.600 0.061 0.000 1.048 496 K CA 1.671 57.989 56.287 0.051 0.000 0.926 496 K CB -1.371 31.153 32.500 0.041 0.000 0.713 496 K HN 0.516 nan 8.250 nan 0.000 0.444 497 S N 1.858 117.604 115.700 0.078 0.000 2.564 497 S HA 0.322 4.795 4.470 0.005 0.000 0.278 497 S C -2.315 172.357 174.600 0.120 0.000 1.333 497 S CA -1.154 57.107 58.200 0.103 0.000 1.048 497 S CB 1.245 64.523 63.200 0.130 0.000 0.900 497 S HN 0.455 nan 8.310 nan 0.000 0.505 498 P HA 0.111 nan 4.420 nan 0.000 0.267 498 P C -0.635 176.763 177.300 0.164 0.000 1.200 498 P CA -0.309 62.858 63.100 0.112 0.000 0.772 498 P CB 0.414 32.161 31.700 0.078 0.000 0.855 499 Q N 0.777 120.674 119.800 0.162 0.000 2.235 499 Q HA 0.284 4.627 4.340 0.005 0.000 0.250 499 Q C -1.049 175.126 176.000 0.293 0.000 0.909 499 Q CA -0.038 55.902 55.803 0.228 0.000 0.910 499 Q CB 0.455 29.308 28.738 0.191 0.000 1.223 499 Q HN 0.468 nan 8.270 nan 0.000 0.432 500 W N 7.079 128.470 121.300 0.152 0.000 2.357 500 W HA 0.376 5.039 4.660 0.005 0.000 0.317 500 W C -2.552 174.144 176.519 0.295 0.000 1.101 500 W CA -2.623 54.830 57.345 0.179 0.000 1.380 500 W CB 0.530 30.065 29.460 0.125 0.000 1.266 500 W HN 0.463 nan 8.180 nan 0.000 0.419 501 P HA 0.250 nan 4.420 nan 0.000 0.282 501 P C -2.584 174.831 177.300 0.192 0.000 1.249 501 P CA -1.816 61.477 63.100 0.320 0.000 0.806 501 P CB 0.685 32.492 31.700 0.179 0.000 0.984 502 P HA -0.068 nan 4.420 nan 0.000 0.264 502 P C -0.409 176.839 177.300 -0.087 0.000 1.179 502 P CA 0.474 63.266 63.100 -0.514 0.000 0.763 502 P CB -0.068 31.401 31.700 -0.385 0.000 0.806 503 Y N 3.531 123.758 120.300 -0.121 0.000 2.544 503 Y HA 0.218 4.775 4.550 0.012 0.000 0.330 503 Y C 0.557 176.445 175.900 -0.020 0.000 1.136 503 Y CA 0.719 58.828 58.100 0.015 0.000 1.417 503 Y CB 0.159 38.652 38.460 0.055 0.000 1.229 503 Y HN 0.360 nan 8.280 nan 0.000 0.532 504 T N 0.423 114.713 114.554 -0.440 0.000 2.907 504 T HA 0.242 4.595 4.350 0.005 0.000 0.292 504 T C 0.968 175.394 174.700 -0.456 0.000 1.043 504 T CA -0.224 61.700 62.100 -0.294 0.000 1.003 504 T CB 1.374 70.150 68.868 -0.154 0.000 1.084 504 T HN 0.672 nan 8.240 nan 0.000 0.483 505 T N -0.367 114.079 114.554 -0.180 0.000 2.788 505 T HA -0.053 4.300 4.350 0.005 0.000 0.268 505 T C 2.256 176.894 174.700 -0.103 0.000 1.044 505 T CA 1.034 63.075 62.100 -0.098 0.000 1.139 505 T CB -0.845 68.027 68.868 0.007 0.000 0.867 505 T HN 0.848 nan 8.240 nan 0.000 0.454 506 A N 1.849 124.614 122.820 -0.092 0.000 1.855 506 A HA 0.444 4.767 4.320 0.005 0.000 0.215 506 A C 2.686 180.222 177.584 -0.080 0.000 1.191 506 A CA 1.837 53.836 52.037 -0.063 0.000 0.613 506 A CB -1.194 17.781 19.000 -0.042 0.000 0.829 506 A HN 0.786 nan 8.150 nan 0.000 0.442 507 A N -2.673 120.073 122.820 -0.123 0.000 2.140 507 A HA 0.316 4.639 4.320 0.005 0.000 0.209 507 A C 0.917 178.419 177.584 -0.137 0.000 1.181 507 A CA 0.844 52.822 52.037 -0.098 0.000 0.824 507 A CB -0.131 18.829 19.000 -0.067 0.000 0.879 507 A HN 0.527 nan 8.150 nan 0.000 0.480 508 Q N -0.335 119.256 119.800 -0.347 0.000 2.468 508 Q HA -0.215 4.128 4.340 0.005 0.000 0.289 508 Q C -0.704 175.272 176.000 -0.039 0.000 1.299 508 Q CA 0.662 56.164 55.803 -0.503 0.000 0.838 508 Q CB -1.776 26.894 28.738 -0.113 0.000 1.195 508 Q HN 0.833 nan 8.270 nan 0.000 0.456 509 Q N 0.357 120.141 119.800 -0.027 0.000 2.261 509 Q HA 0.526 4.869 4.340 0.005 0.000 0.252 509 Q C -0.457 175.798 176.000 0.425 0.000 0.915 509 Q CA -0.174 55.722 55.803 0.155 0.000 0.915 509 Q CB 0.703 29.482 28.738 0.068 0.000 1.204 509 Q HN 0.338 nan 8.270 nan 0.000 0.421 510 Y N -1.460 118.968 120.300 0.214 0.000 2.644 510 Y HA 0.747 5.306 4.550 0.015 0.000 0.338 510 Y C -1.047 174.848 175.900 -0.008 0.000 1.119 510 Y CA -1.546 56.678 58.100 0.207 0.000 1.060 510 Y CB 0.542 39.132 38.460 0.216 0.000 1.294 510 Y HN 0.353 nan 8.280 nan 0.000 0.472 511 V N -0.414 119.393 119.914 -0.178 0.000 2.815 511 V HA 0.832 4.955 4.120 0.005 0.000 0.314 511 V C -0.207 175.785 176.094 -0.171 0.000 1.064 511 V CA -0.602 61.441 62.300 -0.429 0.000 0.952 511 V CB 1.300 32.576 31.823 -0.912 0.000 1.020 511 V HN 1.159 nan 8.190 nan 0.000 0.439 512 S N 3.606 119.209 115.700 -0.162 0.000 2.513 512 S HA 0.685 5.158 4.470 0.005 0.000 0.276 512 S C -0.454 174.099 174.600 -0.078 0.000 1.254 512 S CA -0.656 57.525 58.200 -0.032 0.000 1.053 512 S CB 0.565 63.739 63.200 -0.042 0.000 0.958 512 S HN 0.755 nan 8.310 nan 0.000 0.491 513 L N 4.113 125.340 121.223 0.006 0.000 2.277 513 L HA 0.499 4.842 4.340 0.005 0.000 0.284 513 L C -0.318 176.433 176.870 -0.198 0.000 1.028 513 L CA -0.443 54.429 54.840 0.054 0.000 0.835 513 L CB 0.022 42.218 42.059 0.228 0.000 1.215 513 L HN 0.911 nan 8.230 nan 0.000 0.425 514 N N 1.993 120.482 118.700 -0.351 0.000 3.344 514 N HA 0.374 5.117 4.740 0.005 0.000 0.296 514 N C 0.318 175.206 175.510 -1.036 0.000 1.571 514 N CA -1.001 51.568 53.050 -0.802 0.000 0.844 514 N CB 0.677 38.922 38.487 -0.404 0.000 1.718 514 N HN 0.162 nan 8.380 nan 0.000 0.589 515 L N -0.902 119.783 121.223 -0.897 0.000 2.191 515 L HA 0.028 4.371 4.340 0.005 0.000 0.212 515 L C 0.476 177.165 176.870 -0.302 0.000 1.103 515 L CA 1.071 55.519 54.840 -0.653 0.000 0.769 515 L CB -0.545 41.235 42.059 -0.464 0.000 0.908 515 L HN 0.393 nan 8.230 nan 0.000 0.438 516 K N 0.248 120.509 120.400 -0.232 0.000 2.202 516 K HA 0.224 4.547 4.320 0.005 0.000 0.264 516 K C -2.169 174.396 176.600 -0.058 0.000 1.010 516 K CA -1.865 54.354 56.287 -0.114 0.000 0.940 516 K CB 0.059 32.502 32.500 -0.094 0.000 0.983 516 K HN -0.204 nan 8.250 nan 0.000 0.475 517 P HA -0.075 nan 4.420 nan 0.000 0.268 517 P C -0.376 176.936 177.300 0.021 0.000 1.208 517 P CA -0.020 63.101 63.100 0.036 0.000 0.777 517 P CB 0.365 32.085 31.700 0.034 0.000 0.875 518 L N 1.787 123.044 121.223 0.056 0.000 2.776 518 L HA -0.147 4.196 4.340 0.005 0.000 0.283 518 L C 1.151 177.988 176.870 -0.055 0.000 1.194 518 L CA 1.023 55.848 54.840 -0.026 0.000 0.947 518 L CB -0.428 41.619 42.059 -0.019 0.000 1.255 518 L HN 0.511 nan 8.230 nan 0.000 0.481 519 E N 3.422 123.563 120.200 -0.099 0.000 2.179 519 E HA 0.385 4.738 4.350 0.005 0.000 0.275 519 E C -1.218 175.281 176.600 -0.168 0.000 0.945 519 E CA -0.773 55.566 56.400 -0.102 0.000 0.792 519 E CB 1.945 31.593 29.700 -0.087 0.000 1.125 519 E HN 0.301 nan 8.360 nan 0.000 0.397 520 V N 5.150 124.974 119.914 -0.149 0.000 2.407 520 V HA 0.407 4.530 4.120 0.005 0.000 0.278 520 V C 0.192 176.131 176.094 -0.258 0.000 1.037 520 V CA -0.270 61.912 62.300 -0.195 0.000 0.900 520 V CB 1.244 33.012 31.823 -0.092 0.000 0.983 520 V HN 0.697 nan 8.190 nan 0.000 0.459 521 R N 3.773 123.974 120.500 -0.497 0.000 2.919 521 R HA 0.755 5.098 4.340 0.005 0.000 0.260 521 R C -0.854 175.199 176.300 -0.412 0.000 1.067 521 R CA -1.015 54.757 56.100 -0.546 0.000 1.003 521 R CB 2.344 32.145 30.300 -0.832 0.000 1.192 521 R HN 0.585 nan 8.270 nan 0.000 0.488 522 R N -0.064 120.392 120.500 -0.073 0.000 2.561 522 R HA 0.481 4.824 4.340 0.005 0.000 0.297 522 R C -0.897 175.594 176.300 0.318 0.000 0.969 522 R CA -0.521 55.653 56.100 0.123 0.000 0.879 522 R CB 2.204 32.536 30.300 0.053 0.000 1.178 522 R HN 0.883 nan 8.270 nan 0.000 0.445 523 G N 2.487 111.522 108.800 0.393 0.000 3.396 523 G HA2 -0.204 3.759 3.960 0.005 0.000 0.682 523 G HA3 -0.204 3.759 3.960 0.005 0.000 0.682 523 G C -1.038 174.058 174.900 0.327 0.000 0.924 523 G CA -0.967 44.329 45.100 0.326 0.000 0.770 523 G HN 0.332 nan 8.290 nan 0.000 0.484 524 L N 4.391 125.706 121.223 0.152 0.000 2.334 524 L HA 0.433 4.776 4.340 0.005 0.000 0.286 524 L C 1.656 178.544 176.870 0.029 0.000 1.108 524 L CA -0.272 54.490 54.840 -0.130 0.000 0.875 524 L CB -0.132 41.801 42.059 -0.210 0.000 1.246 524 L HN 0.718 nan 8.230 nan 0.000 0.439 525 R N 2.851 123.398 120.500 0.078 0.000 3.109 525 R HA -0.273 4.070 4.340 0.005 0.000 0.241 525 R C 1.323 177.724 176.300 0.169 0.000 0.882 525 R CA 0.696 56.885 56.100 0.148 0.000 0.604 525 R CB -1.859 28.545 30.300 0.173 0.000 1.040 525 R HN 0.731 nan 8.270 nan 0.000 0.480 526 A N 0.445 123.362 122.820 0.163 0.000 1.902 526 A HA -0.259 4.064 4.320 0.005 0.000 0.217 526 A C 2.095 179.776 177.584 0.162 0.000 1.181 526 A CA 1.636 53.768 52.037 0.159 0.000 0.623 526 A CB -0.133 18.956 19.000 0.148 0.000 0.818 526 A HN 0.430 nan 8.150 nan 0.000 0.443 527 Q N -0.705 119.190 119.800 0.159 0.000 2.016 527 Q HA -0.079 4.265 4.340 0.005 0.000 0.200 527 Q C 2.204 178.336 176.000 0.220 0.000 0.978 527 Q CA 2.417 58.318 55.803 0.163 0.000 0.833 527 Q CB -0.891 27.925 28.738 0.132 0.000 0.895 527 Q HN 0.574 nan 8.270 nan 0.000 0.427 528 T N -0.606 114.102 114.554 0.258 0.000 2.821 528 T HA -0.125 4.228 4.350 0.005 0.000 0.267 528 T C 1.862 176.769 174.700 0.345 0.000 1.046 528 T CA 1.271 63.542 62.100 0.285 0.000 1.139 528 T CB -0.422 68.664 68.868 0.362 0.000 0.871 528 T HN 0.352 nan 8.240 nan 0.000 0.454 529 c N 1.579 120.379 118.600 0.335 0.000 2.446 529 c HA 0.226 4.799 4.570 0.005 0.000 0.279 529 c C 3.124 177.373 174.090 0.264 0.000 1.366 529 c CA -0.029 56.508 56.329 0.346 0.000 1.763 529 c CB -1.401 41.248 42.510 0.232 0.000 1.929 529 c HN 0.638 nan 8.230 nan 0.000 0.509 530 A N 0.307 123.252 122.820 0.209 0.000 1.940 530 A HA -0.225 4.098 4.320 0.005 0.000 0.219 530 A C 1.870 179.558 177.584 0.173 0.000 1.176 530 A CA 1.754 53.892 52.037 0.170 0.000 0.631 530 A CB -0.779 18.311 19.000 0.150 0.000 0.814 530 A HN 0.563 nan 8.150 nan 0.000 0.446 531 F N -0.937 119.002 119.950 -0.017 0.000 2.075 531 F HA -0.148 4.381 4.527 0.003 0.000 0.297 531 F C 1.965 177.704 175.800 -0.102 0.000 1.113 531 F CA 1.716 59.624 58.000 -0.154 0.000 1.218 531 F CB -0.571 38.056 39.000 -0.622 0.000 0.984 531 F HN 0.378 nan 8.300 nan 0.000 0.472 532 W N 0.574 121.835 121.300 -0.065 0.000 2.409 532 W HA -0.127 4.534 4.660 0.002 0.000 0.299 532 W C 2.189 178.638 176.519 -0.117 0.000 1.203 532 W CA 0.997 58.256 57.345 -0.144 0.000 1.298 532 W CB -0.528 28.985 29.460 0.089 0.000 1.127 532 W HN -0.030 nan 8.180 nan 0.000 0.528 533 N N -0.379 118.438 118.700 0.195 0.000 2.368 533 N HA 0.029 4.772 4.740 0.005 0.000 0.176 533 N C 1.481 177.019 175.510 0.047 0.000 1.021 533 N CA 0.949 54.065 53.050 0.109 0.000 0.888 533 N CB -0.233 38.322 38.487 0.113 0.000 0.995 533 N HN 0.222 nan 8.380 nan 0.000 0.437 534 R N -1.334 119.195 120.500 0.048 0.000 2.225 534 R HA 0.242 4.585 4.340 0.005 0.000 0.194 534 R C 1.374 177.692 176.300 0.029 0.000 0.949 534 R CA 0.021 56.148 56.100 0.046 0.000 1.088 534 R CB -0.122 30.231 30.300 0.088 0.000 1.106 534 R HN 0.046 nan 8.270 nan 0.000 0.566 535 F N 1.231 121.088 119.950 -0.155 0.000 2.220 535 F HA 0.085 4.615 4.527 0.005 0.000 0.290 535 F C 1.848 177.469 175.800 -0.298 0.000 1.080 535 F CA 0.787 58.669 58.000 -0.198 0.000 1.318 535 F CB -0.069 38.836 39.000 -0.158 0.000 1.063 535 F HN -0.135 nan 8.300 nan 0.000 0.498 536 L N 1.160 122.016 121.223 -0.612 0.000 2.042 536 L HA -0.119 4.224 4.340 0.005 0.000 0.210 536 L C -0.505 176.110 176.870 -0.425 0.000 1.076 536 L CA 2.206 56.651 54.840 -0.658 0.000 0.749 536 L CB -2.248 39.459 42.059 -0.586 0.000 0.893 536 L HN 0.076 nan 8.230 nan 0.000 0.432 537 P HA -0.191 nan 4.420 nan 0.000 0.214 537 P C 1.501 178.665 177.300 -0.228 0.000 1.163 537 P CA 1.450 64.441 63.100 -0.182 0.000 0.889 537 P CB -0.102 31.531 31.700 -0.111 0.000 0.790 538 K N -0.752 119.483 120.400 -0.275 0.000 2.089 538 K HA -0.170 4.153 4.320 0.005 0.000 0.210 538 K C 1.945 178.329 176.600 -0.360 0.000 1.048 538 K CA 1.131 57.252 56.287 -0.278 0.000 0.926 538 K CB -1.421 30.927 32.500 -0.253 0.000 0.714 538 K HN 0.149 nan 8.250 nan 0.000 0.448 539 L N 0.935 121.798 121.223 -0.600 0.000 2.362 539 L HA -0.087 4.256 4.340 0.005 0.000 0.219 539 L C 1.682 178.396 176.870 -0.260 0.000 1.134 539 L CA 1.148 55.689 54.840 -0.498 0.000 0.807 539 L CB -0.181 41.472 42.059 -0.676 0.000 0.927 539 L HN 0.004 nan 8.230 nan 0.000 0.447 540 L N -1.750 119.337 121.223 -0.226 0.000 2.408 540 L HA 0.189 4.532 4.340 0.005 0.000 0.215 540 L C 1.547 178.355 176.870 -0.104 0.000 1.081 540 L CA 0.615 55.374 54.840 -0.135 0.000 0.840 540 L CB -0.927 41.065 42.059 -0.111 0.000 1.002 540 L HN 0.075 nan 8.230 nan 0.000 0.468 541 S N 1.218 116.850 115.700 -0.114 0.000 4.053 541 S HA 0.534 5.007 4.470 0.005 0.000 0.184 541 S C 0.602 175.157 174.600 -0.074 0.000 1.324 541 S CA 0.512 58.662 58.200 -0.082 0.000 0.956 541 S CB -1.033 62.121 63.200 -0.077 0.000 1.503 541 S HN 0.479 nan 8.310 nan 0.000 0.440 542 A N 0.000 122.781 122.820 -0.066 0.000 2.254 542 A HA 0.000 4.323 4.320 0.005 0.000 0.244 542 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 542 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486