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 2ha4_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 GEAAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX 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 SAT 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 0.000 176.612 176.600 0.021 0.000 1.382 1 E CA 0.000 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N -0.111 108.701 108.800 0.020 0.000 2.699 2 G HA2 -0.180 3.785 3.960 0.009 0.000 0.198 2 G HA3 -0.180 3.785 3.960 0.009 0.000 0.198 2 G C 0.925 175.834 174.900 0.016 0.000 1.033 2 G CA 0.182 45.292 45.100 0.016 0.000 0.728 2 G HN 0.278 nan 8.290 nan 0.000 0.484 3 R N 1.197 121.707 120.500 0.016 0.000 2.365 3 R HA 0.309 4.654 4.340 0.009 0.000 0.223 3 R C 0.636 176.947 176.300 0.017 0.000 0.899 3 R CA 0.288 56.397 56.100 0.015 0.000 1.059 3 R CB 0.390 30.696 30.300 0.011 0.000 1.086 3 R HN 0.597 nan 8.270 nan 0.000 0.522 4 E N 0.878 121.092 120.200 0.022 0.000 2.312 4 E HA 0.043 4.399 4.350 0.009 0.000 0.259 4 E C -0.553 176.069 176.600 0.037 0.000 1.122 4 E CA -0.697 55.719 56.400 0.026 0.000 0.922 4 E CB 0.654 30.372 29.700 0.030 0.000 1.109 4 E HN -0.172 nan 8.360 nan 0.000 0.442 5 D N 2.048 122.476 120.400 0.047 0.000 2.363 5 D HA 0.005 4.650 4.640 0.009 0.000 0.263 5 D C -1.530 174.812 176.300 0.070 0.000 1.258 5 D CA -1.941 52.103 54.000 0.072 0.000 0.907 5 D CB 0.778 41.643 40.800 0.108 0.000 1.107 5 D HN 0.107 nan 8.370 nan 0.000 0.495 6 P HA -0.156 nan 4.420 nan 0.000 0.231 6 P C 0.805 178.127 177.300 0.036 0.000 1.158 6 P CA 0.665 63.788 63.100 0.037 0.000 0.763 6 P CB 0.426 32.138 31.700 0.019 0.000 0.805 7 Q N -0.289 119.535 119.800 0.039 0.000 2.319 7 Q HA 0.144 4.490 4.340 0.009 0.000 0.202 7 Q C 1.435 177.511 176.000 0.126 0.000 0.896 7 Q CA 0.459 56.264 55.803 0.004 0.000 0.942 7 Q CB -0.513 28.105 28.738 -0.200 0.000 1.083 7 Q HN 0.216 nan 8.270 nan 0.000 0.510 8 L N -0.071 121.245 121.223 0.155 0.000 2.808 8 L HA 0.351 4.697 4.340 0.009 0.000 0.246 8 L C -0.482 176.560 176.870 0.288 0.000 1.153 8 L CA -0.151 54.803 54.840 0.189 0.000 0.956 8 L CB 0.511 42.597 42.059 0.045 0.000 1.270 8 L HN 0.062 nan 8.230 nan 0.000 0.528 9 L N 0.883 122.234 121.223 0.213 0.000 2.265 9 L HA 0.546 4.891 4.340 0.009 0.000 0.289 9 L C -0.680 176.260 176.870 0.118 0.000 1.033 9 L CA -0.435 54.512 54.840 0.179 0.000 0.814 9 L CB 1.708 43.828 42.059 0.101 0.000 1.203 9 L HN -0.235 nan 8.230 nan 0.000 0.423 10 V N 3.283 123.252 119.914 0.091 0.000 2.841 10 V HA 0.492 4.617 4.120 0.009 0.000 0.310 10 V C -0.402 175.629 176.094 -0.105 0.000 1.090 10 V CA -0.750 61.461 62.300 -0.147 0.000 0.930 10 V CB 2.753 34.246 31.823 -0.550 0.000 1.014 10 V HN 0.738 nan 8.190 nan 0.000 0.425 11 R N 2.638 123.042 120.500 -0.159 0.000 2.346 11 R HA 0.808 5.154 4.340 0.009 0.000 0.311 11 R C -0.748 175.463 176.300 -0.149 0.000 0.983 11 R CA -0.308 55.733 56.100 -0.098 0.000 0.880 11 R CB 1.760 32.004 30.300 -0.093 0.000 1.100 11 R HN 0.700 nan 8.270 nan 0.000 0.453 12 V N 1.813 121.703 119.914 -0.041 0.000 3.204 12 V HA 0.515 4.640 4.120 0.009 0.000 0.316 12 V C 1.096 177.130 176.094 -0.100 0.000 1.160 12 V CA -0.953 61.323 62.300 -0.041 0.000 1.044 12 V CB 1.579 33.523 31.823 0.202 0.000 1.136 12 V HN 0.848 nan 8.190 nan 0.000 0.455 13 R N 1.236 121.669 120.500 -0.111 0.000 2.105 13 R HA 0.019 4.365 4.340 0.009 0.000 0.239 13 R C 1.793 177.978 176.300 -0.192 0.000 1.135 13 R CA 2.367 58.390 56.100 -0.128 0.000 0.967 13 R CB -1.185 29.058 30.300 -0.095 0.000 0.861 13 R HN 1.028 nan 8.270 nan 0.000 0.442 14 G N -1.936 106.716 108.800 -0.247 0.000 2.880 14 G HA2 0.391 4.356 3.960 0.009 0.000 0.209 14 G HA3 0.391 4.356 3.960 0.009 0.000 0.209 14 G C 0.356 174.345 174.900 -1.519 0.000 1.157 14 G CA 0.356 45.050 45.100 -0.678 0.000 0.779 14 G HN 0.729 nan 8.290 nan 0.000 0.539 15 G N -1.032 107.179 108.800 -0.981 0.000 2.302 15 G HA2 0.083 4.048 3.960 0.009 0.000 0.264 15 G HA3 0.083 4.048 3.960 0.009 0.000 0.264 15 G C -1.175 173.648 174.900 -0.128 0.000 1.335 15 G CA -0.926 43.712 45.100 -0.770 0.000 0.982 15 G HN 0.264 nan 8.290 nan 0.000 0.473 16 Q N -0.249 119.619 119.800 0.113 0.000 2.261 16 Q HA 0.667 5.012 4.340 0.009 0.000 0.252 16 Q C -0.382 175.899 176.000 0.469 0.000 0.915 16 Q CA -0.104 55.852 55.803 0.255 0.000 0.915 16 Q CB 1.403 30.241 28.738 0.167 0.000 1.204 16 Q HN 0.435 nan 8.270 nan 0.000 0.421 17 L N 1.977 123.411 121.223 0.352 0.000 2.354 17 L HA 0.626 4.971 4.340 0.009 0.000 0.269 17 L C -0.454 176.618 176.870 0.337 0.000 1.005 17 L CA -0.809 54.258 54.840 0.378 0.000 0.819 17 L CB 2.117 44.450 42.059 0.456 0.000 1.311 17 L HN 0.464 nan 8.230 nan 0.000 0.423 18 R N 0.811 121.475 120.500 0.275 0.000 2.439 18 R HA 0.657 5.002 4.340 0.009 0.000 0.310 18 R C -0.428 175.921 176.300 0.082 0.000 0.955 18 R CA -0.309 55.905 56.100 0.190 0.000 0.853 18 R CB 1.764 32.119 30.300 0.092 0.000 1.171 18 R HN 0.818 nan 8.270 nan 0.000 0.449 19 G N 3.238 111.966 108.800 -0.121 0.000 2.795 19 G HA2 0.526 4.491 3.960 0.009 0.000 0.267 19 G HA3 0.526 4.491 3.960 0.009 0.000 0.267 19 G C -1.120 173.529 174.900 -0.419 0.000 1.362 19 G CA -0.720 44.003 45.100 -0.628 0.000 1.048 19 G HN 0.577 nan 8.290 nan 0.000 0.547 20 I N -0.641 119.647 120.570 -0.469 0.000 2.582 20 I HA 0.476 4.651 4.170 0.009 0.000 0.292 20 I C -0.185 175.792 176.117 -0.233 0.000 1.066 20 I CA -1.063 60.071 61.300 -0.277 0.000 1.053 20 I CB 2.049 39.900 38.000 -0.248 0.000 1.241 20 I HN 0.347 nan 8.210 nan 0.000 0.421 21 R N 7.786 128.181 120.500 -0.175 0.000 2.288 21 R HA 0.415 4.761 4.340 0.009 0.000 0.330 21 R C -1.467 174.713 176.300 -0.200 0.000 1.069 21 R CA -0.193 55.771 56.100 -0.227 0.000 0.941 21 R CB 0.248 30.349 30.300 -0.330 0.000 0.998 21 R HN 0.628 nan 8.270 nan 0.000 0.452 22 L N 4.081 125.209 121.223 -0.158 0.000 2.344 22 L HA 0.435 4.780 4.340 0.009 0.000 0.272 22 L C 0.198 176.994 176.870 -0.123 0.000 1.035 22 L CA -0.835 53.937 54.840 -0.114 0.000 0.807 22 L CB 1.625 43.657 42.059 -0.046 0.000 1.237 22 L HN 0.394 nan 8.230 nan 0.000 0.442 23 K N 1.560 121.898 120.400 -0.105 0.000 2.227 23 K HA 0.626 4.951 4.320 0.009 0.000 0.280 23 K C -0.589 175.951 176.600 -0.100 0.000 1.041 23 K CA -0.311 55.919 56.287 -0.094 0.000 0.905 23 K CB 1.643 34.101 32.500 -0.070 0.000 1.068 23 K HN 0.653 nan 8.250 nan 0.000 0.470 24 A N 4.205 126.970 122.820 -0.092 0.000 2.330 24 A HA 0.484 4.809 4.320 0.009 0.000 0.329 24 A C -1.971 175.615 177.584 0.005 0.000 1.135 24 A CA -1.714 50.266 52.037 -0.095 0.000 0.817 24 A CB 0.624 19.539 19.000 -0.141 0.000 1.269 24 A HN 0.469 nan 8.150 nan 0.000 0.469 25 P HA -0.149 nan 4.420 nan 0.000 0.216 25 P C 1.301 178.630 177.300 0.048 0.000 1.154 25 P CA 2.199 65.347 63.100 0.080 0.000 0.865 25 P CB 0.221 31.993 31.700 0.120 0.000 0.789 26 G N -2.487 106.343 108.800 0.050 0.000 3.042 26 G HA2 0.451 4.416 3.960 0.009 0.000 0.212 26 G HA3 0.451 4.416 3.960 0.009 0.000 0.212 26 G C 0.525 175.442 174.900 0.027 0.000 1.166 26 G CA 0.478 45.600 45.100 0.037 0.000 0.767 26 G HN 0.626 nan 8.290 nan 0.000 0.546 27 G N -0.488 108.321 108.800 0.014 0.000 2.359 27 G HA2 0.351 4.316 3.960 0.009 0.000 0.293 27 G HA3 0.351 4.316 3.960 0.009 0.000 0.293 27 G C -3.358 171.530 174.900 -0.021 0.000 1.300 27 G CA -0.692 44.411 45.100 0.004 0.000 0.888 27 G HN 0.048 nan 8.290 nan 0.000 0.541 28 P HA 0.523 nan 4.420 nan 0.000 0.274 28 P C 0.012 177.301 177.300 -0.019 0.000 1.231 28 P CA -0.187 62.833 63.100 -0.132 0.000 0.790 28 P CB 1.608 33.088 31.700 -0.367 0.000 0.951 29 V N -1.631 118.270 119.914 -0.021 0.000 3.102 29 V HA 0.655 4.780 4.120 0.009 0.000 0.312 29 V C -0.332 175.848 176.094 0.144 0.000 1.135 29 V CA -0.924 61.452 62.300 0.127 0.000 1.022 29 V CB 1.769 33.677 31.823 0.142 0.000 1.056 29 V HN 0.427 nan 8.190 nan 0.000 0.436 30 S N 1.608 117.469 115.700 0.269 0.000 2.480 30 S HA 0.853 5.329 4.470 0.009 0.000 0.286 30 S C 0.013 174.660 174.600 0.078 0.000 1.180 30 S CA 0.044 58.369 58.200 0.208 0.000 1.075 30 S CB 1.137 64.569 63.200 0.386 0.000 0.996 30 S HN 1.538 nan 8.310 nan 0.000 0.487 31 A N 2.714 125.391 122.820 -0.238 0.000 2.371 31 A HA 0.830 5.155 4.320 0.009 0.000 0.311 31 A C -1.322 175.876 177.584 -0.643 0.000 1.068 31 A CA -0.622 51.157 52.037 -0.430 0.000 0.744 31 A CB 0.623 19.312 19.000 -0.517 0.000 1.239 31 A HN 0.682 nan 8.150 nan 0.000 0.435 32 F N 2.452 122.206 119.950 -0.327 0.000 2.532 32 F HA 0.466 4.998 4.527 0.008 0.000 0.365 32 F C -0.274 175.328 175.800 -0.329 0.000 1.112 32 F CA -0.248 57.636 58.000 -0.194 0.000 1.082 32 F CB 1.312 40.324 39.000 0.020 0.000 1.319 32 F HN 0.359 nan 8.300 nan 0.000 0.457 33 L N 1.832 122.893 121.223 -0.270 0.000 2.331 33 L HA 0.726 5.071 4.340 0.009 0.000 0.275 33 L C 0.989 177.751 176.870 -0.179 0.000 1.022 33 L CA -1.051 53.579 54.840 -0.350 0.000 0.812 33 L CB 1.640 43.283 42.059 -0.692 0.000 1.257 33 L HN 0.784 nan 8.230 nan 0.000 0.435 34 G N 2.769 111.521 108.800 -0.080 0.000 2.295 34 G HA2 -0.263 3.702 3.960 0.009 0.000 0.287 34 G HA3 -0.263 3.702 3.960 0.009 0.000 0.287 34 G C -0.120 174.808 174.900 0.047 0.000 1.055 34 G CA -0.241 44.824 45.100 -0.058 0.000 0.922 34 G HN 0.466 nan 8.290 nan 0.000 0.503 35 I N 2.052 122.668 120.570 0.076 0.000 2.452 35 I HA 0.231 4.407 4.170 0.009 0.000 0.287 35 I C -1.379 174.812 176.117 0.123 0.000 1.079 35 I CA -2.069 59.266 61.300 0.059 0.000 1.387 35 I CB 1.003 38.989 38.000 -0.024 0.000 1.404 35 I HN 0.003 nan 8.210 nan 0.000 0.522 36 P HA 0.085 nan 4.420 nan 0.000 0.280 36 P C -0.324 176.933 177.300 -0.072 0.000 1.244 36 P CA -0.054 62.931 63.100 -0.191 0.000 0.784 36 P CB 0.671 32.246 31.700 -0.208 0.000 0.913 37 F N 0.316 120.130 119.950 -0.226 0.000 2.746 37 F HA 0.744 5.276 4.527 0.009 0.000 0.320 37 F C -0.090 175.709 175.800 -0.002 0.000 1.097 37 F CA -0.761 57.184 58.000 -0.091 0.000 1.195 37 F CB 0.165 39.023 39.000 -0.236 0.000 1.056 37 F HN 0.344 nan 8.300 nan 0.000 0.562 38 A N 0.100 122.636 122.820 -0.473 0.000 2.587 38 A HA 0.609 4.934 4.320 0.009 0.000 0.293 38 A C -0.861 176.570 177.584 -0.255 0.000 1.087 38 A CA -0.756 51.100 52.037 -0.301 0.000 0.692 38 A CB 1.033 19.779 19.000 -0.422 0.000 1.291 38 A HN 0.062 nan 8.150 nan 0.000 0.407 39 E N 1.382 121.507 120.200 -0.126 0.000 2.414 39 E HA 0.223 4.579 4.350 0.009 0.000 0.263 39 E C -2.293 174.215 176.600 -0.154 0.000 1.000 39 E CA -1.345 54.995 56.400 -0.101 0.000 0.914 39 E CB -0.030 29.647 29.700 -0.039 0.000 0.948 39 E HN 0.237 nan 8.360 nan 0.000 0.444 40 P HA -0.023 nan 4.420 nan 0.000 0.258 40 P C -2.222 175.013 177.300 -0.109 0.000 1.172 40 P CA -0.655 62.362 63.100 -0.139 0.000 0.762 40 P CB -0.134 31.521 31.700 -0.076 0.000 0.764 41 P HA 0.008 nan 4.420 nan 0.000 0.225 41 P C -0.266 176.975 177.300 -0.099 0.000 1.768 41 P CA 0.112 63.154 63.100 -0.097 0.000 0.943 41 P CB -0.158 31.485 31.700 -0.095 0.000 1.936 42 V N -2.714 117.150 119.914 -0.084 0.000 2.881 42 V HA 0.900 5.025 4.120 0.009 0.000 0.316 42 V C 0.939 176.991 176.094 -0.070 0.000 1.070 42 V CA 0.175 62.425 62.300 -0.084 0.000 0.976 42 V CB 0.907 32.690 31.823 -0.066 0.000 1.038 42 V HN 0.547 nan 8.190 nan 0.000 0.446 43 G N 3.036 111.793 108.800 -0.072 0.000 2.574 43 G HA2 -0.346 3.620 3.960 0.009 0.000 0.301 43 G HA3 -0.346 3.620 3.960 0.009 0.000 0.301 43 G C 1.241 176.111 174.900 -0.050 0.000 1.166 43 G CA 1.554 46.624 45.100 -0.051 0.000 0.971 43 G HN 2.380 nan 8.290 nan 0.000 0.542 44 S N 0.467 116.151 115.700 -0.027 0.000 2.555 44 S HA 0.092 4.568 4.470 0.009 0.000 0.230 44 S C 1.946 176.539 174.600 -0.013 0.000 0.978 44 S CA 1.571 59.765 58.200 -0.010 0.000 0.934 44 S CB 0.006 63.207 63.200 0.002 0.000 0.766 44 S HN 0.681 nan 8.310 nan 0.000 0.533 45 R N 0.588 121.066 120.500 -0.037 0.000 2.312 45 R HA 0.277 4.622 4.340 0.009 0.000 0.205 45 R C 0.916 177.171 176.300 -0.076 0.000 0.904 45 R CA -0.266 55.811 56.100 -0.038 0.000 1.052 45 R CB 0.094 30.370 30.300 -0.040 0.000 1.014 45 R HN 0.349 nan 8.270 nan 0.000 0.503 46 R N 0.823 121.229 120.500 -0.155 0.000 2.522 46 R HA -0.122 4.223 4.340 0.009 0.000 0.284 46 R C -0.427 175.658 176.300 -0.359 0.000 1.032 46 R CA 0.657 56.535 56.100 -0.371 0.000 1.049 46 R CB 0.145 30.094 30.300 -0.584 0.000 0.956 46 R HN 0.119 nan 8.270 nan 0.000 0.422 47 F N -0.746 119.208 119.950 0.007 0.000 2.590 47 F HA -0.314 4.218 4.527 0.009 0.000 0.471 47 F C 0.232 176.016 175.800 -0.025 0.000 0.551 47 F CA 0.679 58.662 58.000 -0.029 0.000 1.228 47 F CB -1.611 37.363 39.000 -0.045 0.000 1.862 47 F HN 0.474 nan 8.300 nan 0.000 0.271 48 M N 2.146 121.808 119.600 0.104 0.000 2.288 48 M HA 0.354 4.840 4.480 0.009 0.000 0.334 48 M C -1.888 174.436 176.300 0.040 0.000 1.150 48 M CA -1.396 53.944 55.300 0.068 0.000 1.118 48 M CB 0.429 33.056 32.600 0.045 0.000 1.501 48 M HN -0.338 nan 8.290 nan 0.000 0.462 49 P HA 0.057 nan 4.420 nan 0.000 0.267 49 P C -2.465 174.859 177.300 0.039 0.000 1.201 49 P CA -0.552 62.576 63.100 0.046 0.000 0.775 49 P CB -0.702 31.036 31.700 0.063 0.000 0.854 50 P HA 0.189 nan 4.420 nan 0.000 0.275 50 P C -0.575 176.754 177.300 0.048 0.000 1.227 50 P CA 0.047 63.167 63.100 0.032 0.000 0.781 50 P CB 0.904 32.639 31.700 0.058 0.000 0.906 51 E N 3.318 123.532 120.200 0.024 0.000 2.191 51 E HA 0.353 4.709 4.350 0.009 0.000 0.278 51 E C -2.234 174.396 176.600 0.050 0.000 0.972 51 E CA -2.233 54.191 56.400 0.041 0.000 0.804 51 E CB 0.504 30.220 29.700 0.027 0.000 1.110 51 E HN 0.353 nan 8.360 nan 0.000 0.394 52 P HA -0.050 nan 4.420 nan 0.000 0.268 52 P C -0.749 176.614 177.300 0.105 0.000 1.205 52 P CA -0.207 62.970 63.100 0.127 0.000 0.771 52 P CB 0.440 32.224 31.700 0.141 0.000 0.858 53 K N 3.546 124.026 120.400 0.133 0.000 2.484 53 K HA 0.004 4.329 4.320 0.009 0.000 0.280 53 K C 0.039 176.741 176.600 0.169 0.000 1.013 53 K CA 0.492 56.863 56.287 0.139 0.000 1.029 53 K CB 0.148 32.771 32.500 0.204 0.000 0.902 53 K HN 0.285 nan 8.250 nan 0.000 0.481 54 R N 5.170 125.755 120.500 0.142 0.000 2.490 54 R HA 0.200 4.545 4.340 0.009 0.000 0.280 54 R C -2.031 174.368 176.300 0.165 0.000 1.077 54 R CA -1.817 54.355 56.100 0.120 0.000 1.065 54 R CB 0.299 30.651 30.300 0.087 0.000 1.003 54 R HN 0.589 nan 8.270 nan 0.000 0.470 55 P HA -0.088 nan 4.420 nan 0.000 0.266 55 P C -1.013 176.311 177.300 0.041 0.000 1.195 55 P CA 0.086 63.129 63.100 -0.096 0.000 0.768 55 P CB 0.279 31.873 31.700 -0.177 0.000 0.838 56 W N 1.414 122.751 121.300 0.062 0.000 2.497 56 W HA 0.658 5.324 4.660 0.009 0.000 0.359 56 W C -0.466 176.081 176.519 0.047 0.000 1.131 56 W CA -0.953 56.425 57.345 0.054 0.000 1.280 56 W CB 0.036 29.535 29.460 0.066 0.000 1.319 56 W HN 0.369 nan 8.180 nan 0.000 0.626 57 S N 1.513 117.367 115.700 0.257 0.000 2.525 57 S HA 0.820 5.296 4.470 0.009 0.000 0.290 57 S C 0.356 175.103 174.600 0.245 0.000 1.152 57 S CA 0.013 58.303 58.200 0.149 0.000 1.072 57 S CB 0.890 64.149 63.200 0.098 0.000 1.027 57 S HN 2.093 nan 8.310 nan 0.000 0.500 58 G N 0.694 109.598 108.800 0.173 0.000 2.693 58 G HA2 -0.134 3.831 3.960 0.009 0.000 0.226 58 G HA3 -0.134 3.831 3.960 0.009 0.000 0.226 58 G C -0.737 174.331 174.900 0.281 0.000 1.354 58 G CA -0.432 44.777 45.100 0.180 0.000 0.873 58 G HN 1.676 nan 8.290 nan 0.000 0.562 59 V N 0.788 120.830 119.914 0.214 0.000 2.364 59 V HA 0.519 4.645 4.120 0.009 0.000 0.272 59 V C 0.898 177.099 176.094 0.178 0.000 1.036 59 V CA -0.231 62.205 62.300 0.228 0.000 0.880 59 V CB 1.123 33.034 31.823 0.146 0.000 0.991 59 V HN 0.821 nan 8.190 nan 0.000 0.460 60 L N 4.684 126.025 121.223 0.198 0.000 2.361 60 L HA 0.296 4.641 4.340 0.009 0.000 0.278 60 L C 0.657 177.520 176.870 -0.013 0.000 1.113 60 L CA 0.141 54.934 54.840 -0.080 0.000 0.849 60 L CB 0.562 42.301 42.059 -0.532 0.000 1.155 60 L HN 0.695 nan 8.230 nan 0.000 0.452 61 D N 4.841 125.209 120.400 -0.052 0.000 2.401 61 D HA 0.108 4.753 4.640 0.009 0.000 0.254 61 D C -0.305 175.952 176.300 -0.071 0.000 1.192 61 D CA 0.198 54.171 54.000 -0.046 0.000 0.885 61 D CB 1.376 42.138 40.800 -0.063 0.000 1.147 61 D HN 0.686 nan 8.370 nan 0.000 0.478 62 A N 3.137 125.934 122.820 -0.039 0.000 2.985 62 A HA 0.188 4.513 4.320 0.009 0.000 0.303 62 A C 1.003 178.486 177.584 -0.169 0.000 1.048 62 A CA -0.398 51.605 52.037 -0.057 0.000 1.016 62 A CB -0.066 19.006 19.000 0.119 0.000 1.118 62 A HN 0.569 nan 8.150 nan 0.000 0.529 63 T N -3.193 111.246 114.554 -0.191 0.000 3.023 63 T HA 0.239 4.594 4.350 0.009 0.000 0.253 63 T C 0.730 175.259 174.700 -0.286 0.000 1.038 63 T CA 0.815 62.771 62.100 -0.240 0.000 0.962 63 T CB -0.196 68.566 68.868 -0.177 0.000 1.018 63 T HN 0.690 nan 8.240 nan 0.000 0.521 64 T N -0.370 114.017 114.554 -0.278 0.000 2.900 64 T HA 0.688 5.044 4.350 0.009 0.000 0.295 64 T C -0.691 173.835 174.700 -0.289 0.000 1.044 64 T CA -0.913 61.015 62.100 -0.286 0.000 0.995 64 T CB 1.040 69.811 68.868 -0.161 0.000 1.072 64 T HN 0.004 nan 8.240 nan 0.000 0.473 65 F N 2.168 122.044 119.950 -0.123 0.000 2.602 65 F HA 0.255 4.788 4.527 0.009 0.000 0.367 65 F C 1.519 177.213 175.800 -0.177 0.000 1.126 65 F CA 0.006 57.934 58.000 -0.120 0.000 1.321 65 F CB 0.372 39.329 39.000 -0.072 0.000 1.094 65 F HN 0.494 nan 8.300 nan 0.000 0.594 66 Q N 1.553 121.345 119.800 -0.012 0.000 2.162 66 Q HA 0.204 4.550 4.340 0.009 0.000 0.197 66 Q C -0.152 175.769 176.000 -0.131 0.000 1.013 66 Q CA -0.774 54.875 55.803 -0.257 0.000 1.040 66 Q CB 0.566 28.843 28.738 -0.768 0.000 1.114 66 Q HN 0.524 nan 8.270 nan 0.000 0.547 67 N N -0.055 118.541 118.700 -0.173 0.000 2.395 67 N HA -0.012 4.734 4.740 0.009 0.000 0.246 67 N C -0.435 175.059 175.510 -0.027 0.000 1.246 67 N CA 0.177 53.180 53.050 -0.078 0.000 0.879 67 N CB 0.359 38.815 38.487 -0.051 0.000 1.098 67 N HN 0.182 nan 8.380 nan 0.000 0.444 68 V N 1.697 121.571 119.914 -0.067 0.000 2.649 68 V HA 0.056 4.181 4.120 0.009 0.000 0.292 68 V C 0.708 176.758 176.094 -0.073 0.000 1.055 68 V CA -0.781 61.470 62.300 -0.082 0.000 1.023 68 V CB 1.026 32.764 31.823 -0.141 0.000 0.992 68 V HN 0.713 nan 8.190 nan 0.000 0.480 69 c N 4.086 122.660 118.600 -0.043 0.000 2.662 69 c HA 0.137 4.712 4.570 0.009 0.000 0.420 69 c C 0.471 174.522 174.090 -0.066 0.000 1.314 69 c CA -0.631 55.678 56.329 -0.033 0.000 1.963 69 c CB -1.001 41.521 42.510 0.019 0.000 2.686 69 c HN 0.751 nan 8.230 nan 0.000 0.609 70 Y N 3.814 123.968 120.300 -0.244 0.000 2.721 70 Y HA 0.207 4.763 4.550 0.009 0.000 0.329 70 Y C 0.831 176.731 175.900 0.001 0.000 1.211 70 Y CA 1.111 59.054 58.100 -0.260 0.000 1.512 70 Y CB 0.158 38.212 38.460 -0.676 0.000 1.249 70 Y HN 0.745 nan 8.280 nan 0.000 0.549 71 Q N 4.143 124.007 119.800 0.107 0.000 2.578 71 Q HA 0.192 4.537 4.340 0.009 0.000 0.284 71 Q C -1.770 174.427 176.000 0.328 0.000 0.960 71 Q CA -1.210 54.786 55.803 0.322 0.000 0.809 71 Q CB 1.075 29.948 28.738 0.225 0.000 1.462 71 Q HN 0.663 nan 8.270 nan 0.000 0.392 72 Y N 1.238 121.776 120.300 0.396 0.000 2.811 72 Y HA 0.242 4.797 4.550 0.009 0.000 0.334 72 Y C -0.945 175.127 175.900 0.286 0.000 1.247 72 Y CA 0.539 58.876 58.100 0.396 0.000 1.526 72 Y CB 0.735 39.558 38.460 0.605 0.000 1.284 72 Y HN 0.439 nan 8.280 nan 0.000 0.586 73 V N 7.265 126.904 119.914 -0.460 0.000 2.384 73 V HA 0.082 4.207 4.120 0.009 0.000 0.287 73 V C -0.172 175.606 176.094 -0.528 0.000 1.020 73 V CA -1.170 60.930 62.300 -0.334 0.000 0.850 73 V CB 1.402 33.107 31.823 -0.196 0.000 0.987 73 V HN 0.782 nan 8.190 nan 0.000 0.436 74 D N 3.528 123.838 120.400 -0.150 0.000 2.450 74 D HA 0.027 4.673 4.640 0.009 0.000 0.247 74 D C 0.857 177.174 176.300 0.028 0.000 1.162 74 D CA 0.517 54.544 54.000 0.045 0.000 0.879 74 D CB 1.593 42.568 40.800 0.291 0.000 1.163 74 D HN 0.776 nan 8.370 nan 0.000 0.472 75 T N 1.123 115.704 114.554 0.044 0.000 3.084 75 T HA 0.010 4.365 4.350 0.009 0.000 0.270 75 T C 1.683 176.387 174.700 0.006 0.000 1.008 75 T CA -0.436 61.676 62.100 0.021 0.000 0.900 75 T CB 0.186 69.051 68.868 -0.005 0.000 1.084 75 T HN 0.253 nan 8.240 nan 0.000 0.538 76 L N 0.841 122.068 121.223 0.006 0.000 1.994 76 L HA 0.202 4.547 4.340 0.009 0.000 0.208 76 L C -0.200 176.378 176.870 -0.487 0.000 1.071 76 L CA 1.582 56.248 54.840 -0.290 0.000 0.745 76 L CB -0.348 41.426 42.059 -0.474 0.000 0.892 76 L HN 0.387 nan 8.230 nan 0.000 0.431 77 Y N 0.028 120.347 120.300 0.032 0.000 2.805 77 Y HA 0.430 4.986 4.550 0.009 0.000 0.339 77 Y C -2.221 173.717 175.900 0.063 0.000 1.012 77 Y CA -3.510 54.588 58.100 -0.004 0.000 1.262 77 Y CB -0.118 38.276 38.460 -0.110 0.000 1.100 77 Y HN 0.082 nan 8.280 nan 0.000 0.559 78 P HA 0.171 nan 4.420 nan 0.000 0.266 78 P C 1.013 178.369 177.300 0.092 0.000 1.215 78 P CA 1.184 64.338 63.100 0.091 0.000 0.763 78 P CB 0.842 32.569 31.700 0.044 0.000 0.806 79 G N 2.891 111.735 108.800 0.073 0.000 2.234 79 G HA2 -0.267 3.698 3.960 0.009 0.000 0.235 79 G HA3 -0.267 3.698 3.960 0.009 0.000 0.235 79 G C -0.090 174.844 174.900 0.058 0.000 0.997 79 G CA -0.506 44.620 45.100 0.043 0.000 0.623 79 G HN 0.523 nan 8.290 nan 0.000 0.514 80 F N 2.763 122.666 119.950 -0.078 0.000 2.472 80 F HA 0.577 5.109 4.527 0.008 0.000 0.364 80 F C 1.344 177.036 175.800 -0.179 0.000 1.090 80 F CA -0.139 57.764 58.000 -0.162 0.000 1.188 80 F CB 1.110 39.989 39.000 -0.203 0.000 1.105 80 F HN 0.247 nan 8.300 nan 0.000 0.536 81 E N 3.759 123.510 120.200 -0.750 0.000 2.110 81 E HA -0.129 4.227 4.350 0.009 0.000 0.193 81 E C 2.146 178.231 176.600 -0.859 0.000 0.988 81 E CA 1.241 57.237 56.400 -0.674 0.000 0.804 81 E CB -0.275 29.117 29.700 -0.513 0.000 0.745 81 E HN 1.020 nan 8.360 nan 0.000 0.458 82 G N -0.061 107.695 108.800 -1.741 0.000 2.475 82 G HA2 -0.329 3.637 3.960 0.009 0.000 0.220 82 G HA3 -0.329 3.637 3.960 0.009 0.000 0.220 82 G C 1.643 176.493 174.900 -0.083 0.000 1.125 82 G CA 1.699 46.066 45.100 -1.222 0.000 0.755 82 G HN 0.480 nan 8.290 nan 0.000 0.565 83 T N -2.454 112.049 114.554 -0.084 0.000 3.042 83 T HA 0.189 4.544 4.350 0.009 0.000 0.245 83 T C 1.900 176.734 174.700 0.223 0.000 1.029 83 T CA 0.730 63.095 62.100 0.441 0.000 1.120 83 T CB 0.013 69.206 68.868 0.540 0.000 0.917 83 T HN 0.331 nan 8.240 nan 0.000 0.467 84 E N 1.846 122.034 120.200 -0.019 0.000 2.268 84 E HA -0.052 4.303 4.350 0.009 0.000 0.195 84 E C 2.184 178.681 176.600 -0.173 0.000 0.995 84 E CA 1.224 57.585 56.400 -0.065 0.000 0.836 84 E CB -0.380 29.258 29.700 -0.103 0.000 0.763 84 E HN 0.743 nan 8.360 nan 0.000 0.491 85 M N -1.648 117.749 119.600 -0.339 0.000 2.446 85 M HA -0.087 4.398 4.480 0.009 0.000 0.263 85 M C 1.032 176.945 176.300 -0.646 0.000 1.066 85 M CA 1.418 56.373 55.300 -0.575 0.000 1.087 85 M CB -0.402 31.719 32.600 -0.797 0.000 1.406 85 M HN 0.048 nan 8.290 nan 0.000 0.459 86 W N 0.823 122.058 121.300 -0.108 0.000 3.114 86 W HA 0.273 4.938 4.660 0.008 0.000 0.279 86 W C 0.438 176.884 176.519 -0.122 0.000 1.277 86 W CA -0.990 56.280 57.345 -0.124 0.000 1.630 86 W CB -0.103 29.337 29.460 -0.033 0.000 1.087 86 W HN 0.105 nan 8.180 nan 0.000 0.637 87 N N 1.612 120.347 118.700 0.059 0.000 2.482 87 N HA 0.102 4.847 4.740 0.009 0.000 0.260 87 N C -2.393 173.065 175.510 -0.087 0.000 1.236 87 N CA -1.361 51.689 53.050 -0.001 0.000 0.938 87 N CB -0.141 38.340 38.487 -0.010 0.000 1.128 87 N HN -0.330 nan 8.380 nan 0.000 0.448 88 P HA 0.002 nan 4.420 nan 0.000 0.261 88 P C 0.233 177.447 177.300 -0.144 0.000 1.173 88 P CA 0.195 63.211 63.100 -0.141 0.000 0.760 88 P CB 0.283 31.898 31.700 -0.142 0.000 0.783 89 N N 2.524 121.124 118.700 -0.167 0.000 2.204 89 N HA 0.059 4.804 4.740 0.009 0.000 0.219 89 N C 0.064 175.501 175.510 -0.121 0.000 1.151 89 N CA -0.019 52.940 53.050 -0.152 0.000 0.867 89 N CB 0.440 38.816 38.487 -0.185 0.000 1.043 89 N HN 0.168 nan 8.380 nan 0.000 0.516 90 R N 0.015 120.443 120.500 -0.120 0.000 2.869 90 R HA 0.293 4.638 4.340 0.009 0.000 0.263 90 R C -0.499 175.738 176.300 -0.104 0.000 1.066 90 R CA -0.723 55.321 56.100 -0.092 0.000 0.960 90 R CB 0.623 30.878 30.300 -0.075 0.000 1.221 90 R HN 0.227 nan 8.270 nan 0.000 0.474 91 E N 1.413 121.559 120.200 -0.091 0.000 2.502 91 E HA -0.015 4.340 4.350 0.009 0.000 0.261 91 E C -0.498 176.026 176.600 -0.127 0.000 0.974 91 E CA 0.023 56.365 56.400 -0.097 0.000 0.936 91 E CB 0.514 30.171 29.700 -0.071 0.000 0.926 91 E HN 0.264 nan 8.360 nan 0.000 0.459 92 L N 3.596 124.706 121.223 -0.189 0.000 2.367 92 L HA 0.190 4.536 4.340 0.009 0.000 0.275 92 L C 0.333 177.116 176.870 -0.145 0.000 1.129 92 L CA 0.083 54.740 54.840 -0.306 0.000 0.839 92 L CB 1.062 42.702 42.059 -0.698 0.000 1.133 92 L HN 0.411 nan 8.230 nan 0.000 0.453 93 S N 1.360 117.031 115.700 -0.048 0.000 2.537 93 S HA 0.214 4.689 4.470 0.009 0.000 0.271 93 S C 0.344 174.959 174.600 0.026 0.000 1.148 93 S CA -0.674 57.570 58.200 0.074 0.000 0.868 93 S CB 1.733 64.948 63.200 0.025 0.000 1.115 93 S HN 0.746 nan 8.310 nan 0.000 0.461 94 E N 0.967 121.145 120.200 -0.036 0.000 2.204 94 E HA -0.083 4.273 4.350 0.009 0.000 0.194 94 E C -0.284 176.264 176.600 -0.086 0.000 0.989 94 E CA 0.607 56.907 56.400 -0.166 0.000 0.824 94 E CB 0.114 29.672 29.700 -0.236 0.000 0.756 94 E HN 0.560 nan 8.360 nan 0.000 0.477 95 D N 0.044 120.429 120.400 -0.025 0.000 2.435 95 D HA -0.012 4.633 4.640 0.009 0.000 0.230 95 D C 0.033 176.422 176.300 0.147 0.000 1.215 95 D CA -0.188 53.828 54.000 0.028 0.000 0.947 95 D CB 0.081 40.914 40.800 0.055 0.000 1.048 95 D HN 0.145 nan 8.370 nan 0.000 0.512 96 c N 2.529 121.188 118.600 0.098 0.000 4.095 96 c HA 0.337 4.912 4.570 0.009 0.000 0.327 96 c C 0.667 174.835 174.090 0.129 0.000 1.811 96 c CA -0.622 55.830 56.329 0.204 0.000 1.785 96 c CB -1.147 41.410 42.510 0.079 0.000 3.120 96 c HN 0.442 nan 8.230 nan 0.000 0.621 97 L N 2.609 123.644 121.223 -0.314 0.000 2.382 97 L HA 0.366 4.711 4.340 0.009 0.000 0.259 97 L C -0.913 175.369 176.870 -0.979 0.000 1.291 97 L CA 0.621 55.083 54.840 -0.630 0.000 1.176 97 L CB -0.766 40.795 42.059 -0.829 0.000 1.373 97 L HN 0.405 nan 8.230 nan 0.000 0.426 98 Y N 1.785 122.070 120.300 -0.026 0.000 2.545 98 Y HA 0.635 5.191 4.550 0.009 0.000 0.348 98 Y C -0.033 176.069 175.900 0.337 0.000 1.002 98 Y CA -1.236 56.929 58.100 0.108 0.000 1.039 98 Y CB 2.005 40.476 38.460 0.018 0.000 1.271 98 Y HN 0.200 nan 8.280 nan 0.000 0.467 99 L N -0.322 121.096 121.223 0.325 0.000 2.283 99 L HA 0.783 5.128 4.340 0.009 0.000 0.259 99 L C -1.523 175.343 176.870 -0.006 0.000 1.027 99 L CA -1.222 53.674 54.840 0.094 0.000 0.828 99 L CB 1.925 43.848 42.059 -0.226 0.000 1.380 99 L HN 0.580 nan 8.230 nan 0.000 0.425 100 N N -0.521 118.175 118.700 -0.006 0.000 2.238 100 N HA 0.813 5.558 4.740 0.009 0.000 0.302 100 N C -1.614 173.796 175.510 -0.166 0.000 1.072 100 N CA -0.819 52.147 53.050 -0.139 0.000 0.792 100 N CB 2.805 41.221 38.487 -0.118 0.000 1.425 100 N HN 0.473 nan 8.380 nan 0.000 0.478 101 V N 1.410 121.143 119.914 -0.301 0.000 2.577 101 V HA 0.456 4.582 4.120 0.009 0.000 0.303 101 V C -0.961 175.058 176.094 -0.125 0.000 1.042 101 V CA -0.693 61.520 62.300 -0.144 0.000 0.872 101 V CB 1.404 32.997 31.823 -0.384 0.000 0.998 101 V HN 0.624 nan 8.190 nan 0.000 0.423 102 W N 2.722 124.101 121.300 0.133 0.000 2.666 102 W HA 0.717 5.383 4.660 0.010 0.000 0.334 102 W C 0.047 176.662 176.519 0.160 0.000 1.051 102 W CA -0.506 56.928 57.345 0.148 0.000 1.224 102 W CB 2.490 32.019 29.460 0.116 0.000 1.405 102 W HN 0.640 nan 8.180 nan 0.000 0.513 103 T N -0.291 114.510 114.554 0.413 0.000 2.868 103 T HA 0.458 4.813 4.350 0.009 0.000 0.306 103 T C -2.880 171.989 174.700 0.282 0.000 1.224 103 T CA -2.295 59.997 62.100 0.320 0.000 1.012 103 T CB 2.090 71.159 68.868 0.337 0.000 1.221 103 T HN -0.096 nan 8.240 nan 0.000 0.499 104 P HA 0.110 nan 4.420 nan 0.000 0.267 104 P C -1.514 175.932 177.300 0.243 0.000 1.195 104 P CA 0.084 63.300 63.100 0.194 0.000 0.773 104 P CB 0.035 31.818 31.700 0.139 0.000 0.837 105 Y N 3.227 123.583 120.300 0.093 0.000 2.326 105 Y HA 0.423 4.978 4.550 0.008 0.000 0.329 105 Y C -2.206 173.730 175.900 0.060 0.000 0.973 105 Y CA -2.515 55.633 58.100 0.081 0.000 1.162 105 Y CB 1.244 39.742 38.460 0.063 0.000 1.147 105 Y HN 0.337 nan 8.280 nan 0.000 0.456 106 P HA 0.214 nan 4.420 nan 0.000 0.273 106 P C -0.904 176.354 177.300 -0.071 0.000 1.250 106 P CA -0.371 62.525 63.100 -0.340 0.000 0.793 106 P CB 1.018 32.549 31.700 -0.281 0.000 1.011 107 R N 0.985 121.459 120.500 -0.044 0.000 2.623 107 R HA 0.154 4.499 4.340 0.009 0.000 0.271 107 R C -1.647 174.677 176.300 0.040 0.000 1.043 107 R CA -1.024 55.112 56.100 0.059 0.000 1.083 107 R CB -0.647 29.704 30.300 0.084 0.000 0.974 107 R HN 0.470 nan 8.270 nan 0.000 0.436 108 P HA -0.046 nan 4.420 nan 0.000 0.266 108 P C -0.408 176.910 177.300 0.030 0.000 1.195 108 P CA 0.231 63.361 63.100 0.049 0.000 0.768 108 P CB 0.915 32.654 31.700 0.064 0.000 0.838 109 A N 2.511 125.342 122.820 0.017 0.000 2.132 109 A HA 0.106 4.432 4.320 0.009 0.000 0.213 109 A C 1.049 178.637 177.584 0.006 0.000 1.154 109 A CA 0.725 52.766 52.037 0.006 0.000 0.753 109 A CB -0.394 18.606 19.000 0.000 0.000 0.826 109 A HN 0.661 nan 8.150 nan 0.000 0.469 110 S N -0.350 115.357 115.700 0.011 0.000 2.532 110 S HA 0.646 5.121 4.470 0.009 0.000 0.301 110 S C -3.244 171.364 174.600 0.015 0.000 1.083 110 S CA -1.798 56.406 58.200 0.008 0.000 1.025 110 S CB 1.318 64.521 63.200 0.005 0.000 1.056 110 S HN -0.020 nan 8.310 nan 0.000 0.494 111 P HA 0.217 nan 4.420 nan 0.000 0.262 111 P C -0.707 176.603 177.300 0.016 0.000 1.199 111 P CA 0.194 63.302 63.100 0.014 0.000 0.763 111 P CB 0.179 31.879 31.700 0.000 0.000 0.790 112 T N 5.668 120.242 114.554 0.034 0.000 2.797 112 T HA 0.399 4.755 4.350 0.009 0.000 0.279 112 T C -2.437 172.286 174.700 0.038 0.000 0.991 112 T CA -1.901 60.221 62.100 0.038 0.000 0.979 112 T CB 0.837 69.742 68.868 0.062 0.000 0.943 112 T HN 0.142 nan 8.240 nan 0.000 0.444 113 P HA 0.106 nan 4.420 nan 0.000 0.264 113 P C -0.832 176.500 177.300 0.053 0.000 1.183 113 P CA -0.134 62.976 63.100 0.016 0.000 0.763 113 P CB 0.367 32.061 31.700 -0.011 0.000 0.807 114 V N 5.046 125.007 119.914 0.078 0.000 2.483 114 V HA 0.316 4.441 4.120 0.009 0.000 0.295 114 V C 0.137 176.312 176.094 0.135 0.000 1.035 114 V CA -0.489 61.885 62.300 0.123 0.000 0.896 114 V CB 1.439 33.351 31.823 0.149 0.000 0.986 114 V HN 0.283 nan 8.190 nan 0.000 0.447 115 L N 5.816 127.136 121.223 0.162 0.000 2.313 115 L HA 0.583 4.928 4.340 0.009 0.000 0.283 115 L C -0.381 176.731 176.870 0.404 0.000 1.013 115 L CA 0.130 55.092 54.840 0.203 0.000 0.816 115 L CB 1.550 43.623 42.059 0.024 0.000 1.236 115 L HN 0.455 nan 8.230 nan 0.000 0.419 116 I N 2.823 123.668 120.570 0.459 0.000 2.355 116 I HA 0.223 4.398 4.170 0.009 0.000 0.288 116 I C -0.746 175.655 176.117 0.473 0.000 0.999 116 I CA -0.471 61.075 61.300 0.409 0.000 1.163 116 I CB 1.150 39.268 38.000 0.196 0.000 1.316 116 I HN 0.632 nan 8.210 nan 0.000 0.454 117 W N 8.486 129.882 121.300 0.159 0.000 2.365 117 W HA 0.583 5.248 4.660 0.007 0.000 0.316 117 W C -1.488 174.930 176.519 -0.168 0.000 1.164 117 W CA -0.597 56.605 57.345 -0.238 0.000 1.204 117 W CB 1.188 30.527 29.460 -0.201 0.000 1.213 117 W HN 0.345 nan 8.180 nan 0.000 0.539 118 I N 8.831 128.761 120.570 -1.065 0.000 2.448 118 I HA 0.073 4.248 4.170 0.009 0.000 0.281 118 I C -0.351 174.993 176.117 -1.288 0.000 1.027 118 I CA -1.116 59.642 61.300 -0.904 0.000 1.111 118 I CB 0.816 38.451 38.000 -0.608 0.000 1.236 118 I HN 0.304 nan 8.210 nan 0.000 0.452 119 Y N 4.442 124.256 120.300 -0.810 0.000 2.457 119 Y HA 0.647 5.202 4.550 0.008 0.000 0.341 119 Y C 0.770 176.469 175.900 -0.335 0.000 1.240 119 Y CA -0.624 57.111 58.100 -0.608 0.000 1.437 119 Y CB 0.006 38.341 38.460 -0.209 0.000 1.328 119 Y HN 0.519 nan 8.280 nan 0.000 0.588 120 G N -0.785 107.969 108.800 -0.077 0.000 2.642 120 G HA2 0.501 4.466 3.960 0.009 0.000 0.291 120 G HA3 0.501 4.466 3.960 0.009 0.000 0.291 120 G C 0.243 175.056 174.900 -0.145 0.000 1.345 120 G CA -0.954 44.036 45.100 -0.182 0.000 1.043 120 G HN 1.721 nan 8.290 nan 0.000 0.528 121 G N -2.745 105.820 108.800 -0.390 0.000 2.192 121 G HA2 0.403 4.368 3.960 0.009 0.000 0.152 121 G HA3 0.403 4.368 3.960 0.009 0.000 0.152 121 G C 1.057 175.460 174.900 -0.829 0.000 1.057 121 G CA 0.710 45.476 45.100 -0.557 0.000 0.748 121 G HN 2.364 nan 8.290 nan 0.000 0.488 122 G N -0.545 107.724 108.800 -0.884 0.000 2.166 122 G HA2 -0.144 3.821 3.960 0.009 0.000 0.260 122 G HA3 -0.144 3.821 3.960 0.009 0.000 0.260 122 G C 0.917 175.596 174.900 -0.368 0.000 0.986 122 G CA 0.862 45.208 45.100 -1.257 0.000 0.683 122 G HN 1.845 nan 8.290 nan 0.000 0.527 123 F N -3.275 116.564 119.950 -0.185 0.000 2.914 123 F HA -0.305 4.228 4.527 0.009 0.000 0.304 123 F C 1.363 177.299 175.800 0.227 0.000 0.712 123 F CA 2.094 60.107 58.000 0.021 0.000 1.211 123 F CB -2.130 36.696 39.000 -0.291 0.000 1.515 123 F HN 0.923 nan 8.300 nan 0.000 0.350 124 Y N -1.142 119.305 120.300 0.244 0.000 2.471 124 Y HA 0.652 5.207 4.550 0.009 0.000 0.249 124 Y C 0.530 176.604 175.900 0.291 0.000 1.116 124 Y CA 0.238 58.532 58.100 0.323 0.000 1.240 124 Y CB 0.060 38.755 38.460 0.392 0.000 1.251 124 Y HN 0.086 nan 8.280 nan 0.000 0.527 125 S N -0.720 114.799 115.700 -0.302 0.000 2.688 125 S HA 0.893 5.368 4.470 0.009 0.000 0.275 125 S C -0.185 174.295 174.600 -0.200 0.000 1.175 125 S CA -0.509 57.555 58.200 -0.226 0.000 0.818 125 S CB 1.533 64.508 63.200 -0.375 0.000 1.157 125 S HN 1.368 nan 8.310 nan 0.000 0.482 126 G N -0.701 107.943 108.800 -0.260 0.000 2.440 126 G HA2 0.554 4.519 3.960 0.009 0.000 0.684 126 G HA3 0.554 4.519 3.960 0.009 0.000 0.684 126 G C -0.713 173.548 174.900 -1.065 0.000 1.309 126 G CA -0.214 44.553 45.100 -0.556 0.000 0.931 126 G HN 2.243 nan 8.290 nan 0.000 0.612 127 A N -1.183 120.812 122.820 -1.376 0.000 2.594 127 A HA 0.983 5.308 4.320 0.009 0.000 0.296 127 A C 0.528 177.884 177.584 -0.380 0.000 1.056 127 A CA 0.667 52.192 52.037 -0.854 0.000 0.693 127 A CB 0.862 19.624 19.000 -0.396 0.000 1.278 127 A HN 2.584 nan 8.150 nan 0.000 0.408 128 A N 0.497 123.325 122.820 0.014 0.000 2.208 128 A HA 0.264 4.589 4.320 0.009 0.000 0.209 128 A C 1.708 179.330 177.584 0.063 0.000 1.161 128 A CA 1.767 53.990 52.037 0.311 0.000 0.782 128 A CB -0.536 18.729 19.000 0.441 0.000 0.816 128 A HN 1.794 nan 8.150 nan 0.000 0.477 129 S N -0.404 115.100 115.700 -0.326 0.000 2.548 129 S HA 0.290 4.765 4.470 0.009 0.000 0.215 129 S C 0.591 174.738 174.600 -0.754 0.000 0.976 129 S CA -0.436 57.119 58.200 -1.074 0.000 0.908 129 S CB -0.585 61.960 63.200 -1.092 0.000 0.781 129 S HN 0.399 nan 8.310 nan 0.000 0.519 130 L N 2.152 123.109 121.223 -0.443 0.000 2.483 130 L HA 0.123 4.468 4.340 0.009 0.000 0.275 130 L C 1.251 177.815 176.870 -0.510 0.000 1.220 130 L CA -0.381 54.158 54.840 -0.501 0.000 0.833 130 L CB 0.137 41.805 42.059 -0.652 0.000 1.102 130 L HN 0.059 nan 8.230 nan 0.000 0.490 131 D N 0.830 120.955 120.400 -0.458 0.000 2.144 131 D HA -0.132 4.513 4.640 0.009 0.000 0.199 131 D C 1.949 177.988 176.300 -0.436 0.000 0.984 131 D CA 1.243 55.035 54.000 -0.346 0.000 0.834 131 D CB 0.010 40.641 40.800 -0.283 0.000 0.955 131 D HN 0.518 nan 8.370 nan 0.000 0.465 132 V N -1.460 118.044 119.914 -0.685 0.000 3.141 132 V HA -0.121 4.004 4.120 0.009 0.000 0.265 132 V C 0.979 176.502 176.094 -0.950 0.000 1.126 132 V CA 0.934 62.795 62.300 -0.732 0.000 1.141 132 V CB -1.114 30.237 31.823 -0.787 0.000 0.743 132 V HN 0.066 nan 8.190 nan 0.000 0.492 133 Y N 0.170 119.937 120.300 -0.888 0.000 2.571 133 Y HA 0.436 4.991 4.550 0.008 0.000 0.275 133 Y C 0.894 176.253 175.900 -0.902 0.000 1.179 133 Y CA -1.931 55.307 58.100 -1.436 0.000 1.242 133 Y CB -0.746 37.207 38.460 -0.846 0.000 1.126 133 Y HN 0.228 nan 8.280 nan 0.000 0.524 134 D N 1.056 121.191 120.400 -0.441 0.000 2.389 134 D HA 0.004 4.650 4.640 0.009 0.000 0.263 134 D C 1.395 177.391 176.300 -0.506 0.000 1.255 134 D CA 0.535 54.349 54.000 -0.309 0.000 0.914 134 D CB 1.278 42.034 40.800 -0.073 0.000 1.116 134 D HN 0.506 nan 8.370 nan 0.000 0.502 135 G N 4.155 112.042 108.800 -1.521 0.000 2.848 135 G HA2 -0.209 3.757 3.960 0.009 0.000 0.208 135 G HA3 -0.209 3.757 3.960 0.009 0.000 0.208 135 G C 1.554 175.870 174.900 -0.973 0.000 1.152 135 G CA 0.351 44.685 45.100 -1.277 0.000 0.789 135 G HN 0.634 nan 8.290 nan 0.000 0.531 136 R N -0.543 119.335 120.500 -1.037 0.000 2.127 136 R HA -0.050 4.296 4.340 0.009 0.000 0.238 136 R C 1.737 177.752 176.300 -0.475 0.000 1.134 136 R CA 1.434 57.171 56.100 -0.605 0.000 0.975 136 R CB -0.683 29.288 30.300 -0.549 0.000 0.865 136 R HN 0.345 nan 8.270 nan 0.000 0.447 137 F N 1.341 121.204 119.950 -0.145 0.000 2.128 137 F HA 0.067 4.599 4.527 0.009 0.000 0.295 137 F C 2.293 178.039 175.800 -0.091 0.000 1.100 137 F CA 0.687 58.627 58.000 -0.099 0.000 1.260 137 F CB -0.522 38.412 39.000 -0.110 0.000 1.009 137 F HN -0.136 nan 8.300 nan 0.000 0.476 138 L N -0.012 121.242 121.223 0.052 0.000 2.046 138 L HA -0.200 4.145 4.340 0.009 0.000 0.208 138 L C 2.761 179.638 176.870 0.010 0.000 1.077 138 L CA 1.119 55.951 54.840 -0.014 0.000 0.747 138 L CB -0.981 41.022 42.059 -0.093 0.000 0.896 138 L HN 0.190 nan 8.230 nan 0.000 0.432 139 A N -0.780 122.048 122.820 0.013 0.000 1.865 139 A HA -0.271 4.055 4.320 0.009 0.000 0.217 139 A C 2.297 179.923 177.584 0.069 0.000 1.191 139 A CA 1.809 53.892 52.037 0.077 0.000 0.623 139 A CB -0.586 18.499 19.000 0.142 0.000 0.826 139 A HN 0.396 nan 8.150 nan 0.000 0.444 140 Q N -0.246 119.578 119.800 0.041 0.000 2.049 140 Q HA -0.076 4.269 4.340 0.009 0.000 0.198 140 Q C 2.212 178.243 176.000 0.051 0.000 0.971 140 Q CA 2.054 57.886 55.803 0.049 0.000 0.833 140 Q CB -0.331 28.420 28.738 0.022 0.000 0.896 140 Q HN 0.411 nan 8.270 nan 0.000 0.434 141 V N 1.183 121.127 119.914 0.050 0.000 2.407 141 V HA -0.103 4.022 4.120 0.009 0.000 0.245 141 V C 1.844 177.954 176.094 0.026 0.000 1.041 141 V CA 1.482 63.805 62.300 0.039 0.000 1.040 141 V CB -0.163 31.683 31.823 0.039 0.000 0.671 141 V HN 0.223 nan 8.190 nan 0.000 0.455 142 E N -0.201 120.012 120.200 0.022 0.000 2.472 142 E HA 0.181 4.536 4.350 0.009 0.000 0.196 142 E C 1.784 178.401 176.600 0.028 0.000 1.033 142 E CA 0.754 57.164 56.400 0.015 0.000 0.886 142 E CB 0.475 30.175 29.700 -0.000 0.000 0.944 142 E HN 0.587 nan 8.360 nan 0.000 0.492 143 G N 1.567 110.394 108.800 0.045 0.000 2.153 143 G HA2 -0.314 3.651 3.960 0.009 0.000 0.252 143 G HA3 -0.314 3.651 3.960 0.009 0.000 0.252 143 G C 0.539 175.480 174.900 0.069 0.000 0.994 143 G CA 0.400 45.535 45.100 0.060 0.000 0.698 143 G HN 0.496 nan 8.290 nan 0.000 0.521 144 A N -0.764 122.094 122.820 0.064 0.000 2.386 144 A HA 0.685 5.010 4.320 0.009 0.000 0.248 144 A C 0.540 178.199 177.584 0.125 0.000 1.082 144 A CA 0.233 52.314 52.037 0.073 0.000 0.789 144 A CB 1.071 20.096 19.000 0.041 0.000 1.025 144 A HN 1.128 nan 8.150 nan 0.000 0.490 145 V N 2.760 122.758 119.914 0.139 0.000 2.364 145 V HA 0.357 4.482 4.120 0.009 0.000 0.272 145 V C -0.099 176.128 176.094 0.222 0.000 1.036 145 V CA -0.074 62.340 62.300 0.190 0.000 0.880 145 V CB 0.712 32.638 31.823 0.173 0.000 0.991 145 V HN 0.715 nan 8.190 nan 0.000 0.460 146 L N 6.191 127.601 121.223 0.311 0.000 2.322 146 L HA 0.768 5.113 4.340 0.009 0.000 0.281 146 L C -0.863 176.302 176.870 0.491 0.000 1.014 146 L CA -0.288 54.787 54.840 0.392 0.000 0.815 146 L CB 1.903 44.180 42.059 0.363 0.000 1.247 146 L HN 0.430 nan 8.230 nan 0.000 0.421 147 V N 3.157 123.335 119.914 0.440 0.000 2.656 147 V HA 0.706 4.831 4.120 0.009 0.000 0.307 147 V C -0.568 175.773 176.094 0.412 0.000 1.051 147 V CA -0.400 62.114 62.300 0.356 0.000 0.893 147 V CB 2.098 34.058 31.823 0.229 0.000 0.999 147 V HN 0.857 nan 8.190 nan 0.000 0.426 148 S N 5.238 121.174 115.700 0.394 0.000 2.546 148 S HA 0.886 5.361 4.470 0.009 0.000 0.274 148 S C -0.894 173.864 174.600 0.264 0.000 1.121 148 S CA -0.826 57.611 58.200 0.395 0.000 0.887 148 S CB 2.340 65.900 63.200 0.600 0.000 1.094 148 S HN 0.895 nan 8.310 nan 0.000 0.474 149 M N 1.431 121.166 119.600 0.224 0.000 2.530 149 M HA 0.635 5.120 4.480 0.009 0.000 0.307 149 M C -1.738 174.805 176.300 0.405 0.000 1.161 149 M CA -0.528 54.901 55.300 0.215 0.000 0.903 149 M CB 1.364 33.936 32.600 -0.047 0.000 1.711 149 M HN 0.568 nan 8.290 nan 0.000 0.451 150 N N 2.808 121.792 118.700 0.474 0.000 2.525 150 N HA 0.560 5.305 4.740 0.009 0.000 0.271 150 N C -1.358 174.438 175.510 0.477 0.000 1.194 150 N CA 0.194 53.532 53.050 0.481 0.000 0.964 150 N CB 0.467 39.162 38.487 0.347 0.000 1.126 150 N HN 0.720 nan 8.380 nan 0.000 0.452 151 Y N -2.031 118.443 120.300 0.290 0.000 2.562 151 Y HA 0.558 5.113 4.550 0.009 0.000 0.345 151 Y C -0.172 175.857 175.900 0.215 0.000 1.045 151 Y CA -1.345 56.874 58.100 0.198 0.000 1.028 151 Y CB 0.909 39.424 38.460 0.092 0.000 1.297 151 Y HN 0.206 nan 8.280 nan 0.000 0.463 152 R N 1.813 122.450 120.500 0.229 0.000 2.590 152 R HA 0.501 4.846 4.340 0.009 0.000 0.274 152 R C -0.343 176.114 176.300 0.261 0.000 1.061 152 R CA -0.194 56.000 56.100 0.157 0.000 1.081 152 R CB 0.863 31.223 30.300 0.101 0.000 0.984 152 R HN 0.710 nan 8.270 nan 0.000 0.448 153 V N -0.411 119.697 119.914 0.323 0.000 3.113 153 V HA 0.896 5.022 4.120 0.009 0.000 0.316 153 V C 0.691 177.126 176.094 0.570 0.000 1.125 153 V CA -0.137 62.475 62.300 0.520 0.000 1.026 153 V CB 1.248 33.282 31.823 0.352 0.000 1.080 153 V HN 0.982 nan 8.190 nan 0.000 0.444 154 G N 1.843 111.018 108.800 0.625 0.000 2.575 154 G HA2 -0.256 3.709 3.960 0.009 0.000 0.267 154 G HA3 -0.256 3.709 3.960 0.009 0.000 0.267 154 G C 0.978 175.997 174.900 0.198 0.000 1.264 154 G CA 1.261 46.625 45.100 0.440 0.000 0.935 154 G HN 2.377 nan 8.290 nan 0.000 0.568 155 T N -1.783 112.580 114.554 -0.318 0.000 2.665 155 T HA -0.151 4.204 4.350 0.009 0.000 0.268 155 T C 2.135 176.703 174.700 -0.220 0.000 1.035 155 T CA 2.751 64.441 62.100 -0.683 0.000 1.151 155 T CB -0.483 67.833 68.868 -0.920 0.000 0.862 155 T HN 0.687 nan 8.240 nan 0.000 0.438 156 F N 2.272 122.269 119.950 0.078 0.000 2.161 156 F HA 0.164 4.696 4.527 0.008 0.000 0.300 156 F C 2.820 178.621 175.800 0.001 0.000 1.089 156 F CA 0.914 58.920 58.000 0.009 0.000 1.282 156 F CB -1.052 37.930 39.000 -0.030 0.000 1.010 156 F HN 0.387 nan 8.300 nan 0.000 0.485 157 G N -1.997 106.899 108.800 0.160 0.000 2.595 157 G HA2 -0.005 3.960 3.960 0.009 0.000 0.213 157 G HA3 -0.005 3.960 3.960 0.009 0.000 0.213 157 G C 0.943 175.443 174.900 -0.667 0.000 1.141 157 G CA 0.314 45.264 45.100 -0.250 0.000 0.806 157 G HN 0.365 nan 8.290 nan 0.000 0.530 158 F N -0.739 119.301 119.950 0.150 0.000 2.915 158 F HA 0.426 4.959 4.527 0.009 0.000 0.347 158 F C 0.470 176.351 175.800 0.136 0.000 1.104 158 F CA -0.944 57.128 58.000 0.120 0.000 1.126 158 F CB 0.353 39.434 39.000 0.135 0.000 1.145 158 F HN -0.081 nan 8.300 nan 0.000 0.541 159 L N 2.137 123.431 121.223 0.117 0.000 2.499 159 L HA 0.535 4.880 4.340 0.009 0.000 0.273 159 L C -0.087 176.764 176.870 -0.031 0.000 1.195 159 L CA 0.024 54.853 54.840 -0.018 0.000 0.882 159 L CB 0.524 42.285 42.059 -0.498 0.000 1.133 159 L HN 0.116 nan 8.230 nan 0.000 0.483 160 A N 6.007 128.841 122.820 0.023 0.000 2.455 160 A HA 0.652 4.978 4.320 0.009 0.000 0.300 160 A C -1.206 176.354 177.584 -0.040 0.000 1.040 160 A CA -0.594 51.433 52.037 -0.016 0.000 0.697 160 A CB 1.330 20.352 19.000 0.037 0.000 1.265 160 A HN 0.688 nan 8.150 nan 0.000 0.407 161 L N 3.478 124.663 121.223 -0.065 0.000 2.360 161 L HA 0.341 4.686 4.340 0.009 0.000 0.265 161 L C -2.371 174.485 176.870 -0.023 0.000 1.066 161 L CA -1.587 53.225 54.840 -0.047 0.000 0.929 161 L CB 1.200 43.219 42.059 -0.066 0.000 1.306 161 L HN 0.395 nan 8.230 nan 0.000 0.434 162 P HA 0.102 nan 4.420 nan 0.000 0.264 162 P C 1.000 178.300 177.300 -0.000 0.000 1.193 162 P CA 0.699 63.799 63.100 0.000 0.000 0.763 162 P CB 0.997 32.698 31.700 0.001 0.000 0.810 163 G N 1.780 110.584 108.800 0.006 0.000 2.284 163 G HA2 -0.251 3.714 3.960 0.009 0.000 0.230 163 G HA3 -0.251 3.714 3.960 0.009 0.000 0.230 163 G C 0.482 175.385 174.900 0.006 0.000 1.021 163 G CA 0.265 45.369 45.100 0.006 0.000 0.619 163 G HN 0.821 nan 8.290 nan 0.000 0.510 164 S N -0.021 115.680 115.700 0.001 0.000 2.600 164 S HA 0.606 5.081 4.470 0.009 0.000 0.265 164 S C 1.284 175.891 174.600 0.012 0.000 1.325 164 S CA 0.555 58.756 58.200 0.002 0.000 1.002 164 S CB 1.402 64.596 63.200 -0.010 0.000 0.921 164 S HN 0.521 nan 8.310 nan 0.000 0.554 165 R N 0.487 120.997 120.500 0.016 0.000 2.140 165 R HA 0.102 4.447 4.340 0.009 0.000 0.213 165 R C 1.714 178.034 176.300 0.034 0.000 1.059 165 R CA 1.008 57.123 56.100 0.025 0.000 1.000 165 R CB -0.207 30.107 30.300 0.023 0.000 0.910 165 R HN 0.698 nan 8.270 nan 0.000 0.455 166 E N 0.210 120.430 120.200 0.033 0.000 2.385 166 E HA 0.116 4.471 4.350 0.009 0.000 0.194 166 E C -0.022 176.623 176.600 0.075 0.000 1.013 166 E CA 0.599 57.031 56.400 0.054 0.000 0.866 166 E CB 0.914 30.644 29.700 0.051 0.000 0.832 166 E HN 0.233 nan 8.360 nan 0.000 0.500 167 A N 1.045 123.884 122.820 0.031 0.000 3.307 167 A HA 0.275 4.600 4.320 0.009 0.000 0.289 167 A C -2.258 175.324 177.584 -0.003 0.000 1.138 167 A CA -0.882 51.159 52.037 0.008 0.000 0.860 167 A CB 0.479 19.399 19.000 -0.133 0.000 1.318 167 A HN -0.079 nan 8.150 nan 0.000 0.551 168 P HA 0.208 nan 4.420 nan 0.000 0.241 168 P C 0.901 178.216 177.300 0.025 0.000 1.191 168 P CA 1.561 64.676 63.100 0.025 0.000 0.771 168 P CB 0.218 31.942 31.700 0.040 0.000 0.929 169 G N 1.040 109.852 108.800 0.020 0.000 2.746 169 G HA2 -0.202 3.763 3.960 0.009 0.000 0.685 169 G HA3 -0.202 3.763 3.960 0.009 0.000 0.685 169 G C -0.045 174.849 174.900 -0.009 0.000 1.350 169 G CA -0.291 44.824 45.100 0.025 0.000 0.837 169 G HN 0.134 nan 8.290 nan 0.000 0.564 170 N N -2.418 116.274 118.700 -0.013 0.000 2.713 170 N HA -0.288 4.458 4.740 0.009 0.000 0.251 170 N C 1.889 177.236 175.510 -0.272 0.000 1.117 170 N CA 2.424 55.395 53.050 -0.132 0.000 0.770 170 N CB -1.618 36.728 38.487 -0.235 0.000 1.137 170 N HN 1.928 nan 8.380 nan 0.000 0.566 171 V N -2.550 117.209 119.914 -0.257 0.000 2.626 171 V HA 0.005 4.130 4.120 0.009 0.000 0.252 171 V C 2.323 178.280 176.094 -0.230 0.000 1.067 171 V CA 2.282 64.476 62.300 -0.176 0.000 1.081 171 V CB -0.903 30.875 31.823 -0.074 0.000 0.686 171 V HN 0.265 nan 8.190 nan 0.000 0.468 172 G N 0.470 108.941 108.800 -0.547 0.000 2.450 172 G HA2 -0.171 3.795 3.960 0.009 0.000 0.220 172 G HA3 -0.171 3.795 3.960 0.009 0.000 0.220 172 G C 1.552 176.413 174.900 -0.065 0.000 1.130 172 G CA 1.256 46.160 45.100 -0.326 0.000 0.760 172 G HN 0.548 nan 8.290 nan 0.000 0.557 173 L N -0.261 120.859 121.223 -0.172 0.000 2.109 173 L HA 0.103 4.448 4.340 0.009 0.000 0.207 173 L C 2.826 179.695 176.870 -0.001 0.000 1.086 173 L CA 0.304 55.019 54.840 -0.209 0.000 0.760 173 L CB -0.270 41.333 42.059 -0.760 0.000 0.910 173 L HN 0.183 nan 8.230 nan 0.000 0.437 174 L N -0.498 120.726 121.223 0.001 0.000 2.093 174 L HA -0.205 4.140 4.340 0.009 0.000 0.208 174 L C 2.196 179.179 176.870 0.188 0.000 1.085 174 L CA 0.883 55.823 54.840 0.167 0.000 0.755 174 L CB -0.624 41.513 42.059 0.130 0.000 0.904 174 L HN 0.288 nan 8.230 nan 0.000 0.435 175 D N 0.008 120.507 120.400 0.166 0.000 2.104 175 D HA -0.218 4.427 4.640 0.009 0.000 0.194 175 D C 2.251 178.722 176.300 0.285 0.000 0.994 175 D CA 1.237 55.417 54.000 0.299 0.000 0.830 175 D CB -0.248 40.739 40.800 0.311 0.000 0.959 175 D HN 0.394 nan 8.370 nan 0.000 0.452 176 Q N 0.105 119.994 119.800 0.150 0.000 2.061 176 Q HA -0.153 4.192 4.340 0.009 0.000 0.204 176 Q C 2.326 178.324 176.000 -0.003 0.000 0.984 176 Q CA 1.215 57.030 55.803 0.021 0.000 0.846 176 Q CB -0.105 28.631 28.738 -0.004 0.000 0.902 176 Q HN 0.210 nan 8.270 nan 0.000 0.421 177 R N 0.593 121.188 120.500 0.159 0.000 2.081 177 R HA -0.181 4.165 4.340 0.009 0.000 0.235 177 R C 2.233 178.593 176.300 0.100 0.000 1.131 177 R CA 1.096 57.275 56.100 0.132 0.000 0.960 177 R CB -0.280 30.208 30.300 0.313 0.000 0.856 177 R HN 0.233 nan 8.270 nan 0.000 0.436 178 L N 0.889 122.207 121.223 0.159 0.000 2.079 178 L HA -0.091 4.254 4.340 0.009 0.000 0.210 178 L C 2.241 179.168 176.870 0.096 0.000 1.081 178 L CA 2.160 57.122 54.840 0.203 0.000 0.752 178 L CB -0.669 41.600 42.059 0.350 0.000 0.896 178 L HN 0.278 nan 8.230 nan 0.000 0.433 179 A N -0.825 121.865 122.820 -0.217 0.000 1.969 179 A HA -0.095 4.231 4.320 0.009 0.000 0.218 179 A C 2.203 179.727 177.584 -0.100 0.000 1.169 179 A CA 1.568 53.289 52.037 -0.526 0.000 0.635 179 A CB -0.710 17.717 19.000 -0.956 0.000 0.810 179 A HN 0.503 nan 8.150 nan 0.000 0.445 180 L N -1.023 120.163 121.223 -0.062 0.000 2.093 180 L HA -0.232 4.113 4.340 0.009 0.000 0.208 180 L C 2.769 179.693 176.870 0.091 0.000 1.085 180 L CA 1.458 56.303 54.840 0.009 0.000 0.755 180 L CB -0.729 41.296 42.059 -0.055 0.000 0.904 180 L HN 0.485 nan 8.230 nan 0.000 0.435 181 Q N -1.008 118.857 119.800 0.108 0.000 2.119 181 Q HA -0.241 4.105 4.340 0.009 0.000 0.201 181 Q C 2.048 178.141 176.000 0.156 0.000 0.972 181 Q CA 1.772 57.648 55.803 0.122 0.000 0.847 181 Q CB -0.236 28.579 28.738 0.128 0.000 0.903 181 Q HN 0.536 nan 8.270 nan 0.000 0.433 182 W N 0.381 121.698 121.300 0.028 0.000 2.338 182 W HA -0.218 4.447 4.660 0.008 0.000 0.304 182 W C 1.791 178.343 176.519 0.056 0.000 1.212 182 W CA 1.238 58.617 57.345 0.056 0.000 1.264 182 W CB -0.028 29.461 29.460 0.048 0.000 1.142 182 W HN -0.146 nan 8.180 nan 0.000 0.512 183 V N 0.801 120.923 119.914 0.346 0.000 2.358 183 V HA -0.319 3.807 4.120 0.009 0.000 0.246 183 V C 2.529 178.644 176.094 0.035 0.000 1.047 183 V CA 1.942 64.375 62.300 0.222 0.000 1.035 183 V CB -0.922 31.052 31.823 0.251 0.000 0.658 183 V HN 0.181 nan 8.190 nan 0.000 0.452 184 Q N -0.187 119.641 119.800 0.046 0.000 2.096 184 Q HA -0.263 4.083 4.340 0.009 0.000 0.204 184 Q C 2.224 178.193 176.000 -0.051 0.000 0.982 184 Q CA 1.979 57.794 55.803 0.019 0.000 0.850 184 Q CB -0.267 28.492 28.738 0.035 0.000 0.901 184 Q HN 0.760 nan 8.270 nan 0.000 0.422 185 E N -0.458 119.669 120.200 -0.122 0.000 2.170 185 E HA -0.060 4.296 4.350 0.009 0.000 0.191 185 E C 1.095 177.535 176.600 -0.266 0.000 0.981 185 E CA 0.513 56.808 56.400 -0.175 0.000 0.830 185 E CB 0.370 29.966 29.700 -0.173 0.000 0.775 185 E HN 0.302 nan 8.360 nan 0.000 0.470 186 N N -0.138 118.303 118.700 -0.431 0.000 2.317 186 N HA -0.013 4.732 4.740 0.009 0.000 0.199 186 N C 1.533 176.909 175.510 -0.223 0.000 1.145 186 N CA 0.032 52.768 53.050 -0.523 0.000 0.882 186 N CB 0.266 38.023 38.487 -1.217 0.000 1.113 186 N HN 0.086 nan 8.380 nan 0.000 0.486 187 I N 2.512 123.018 120.570 -0.107 0.000 2.423 187 I HA -0.142 4.034 4.170 0.009 0.000 0.254 187 I C 2.083 178.305 176.117 0.175 0.000 1.151 187 I CA 0.622 62.017 61.300 0.158 0.000 1.421 187 I CB -0.211 37.873 38.000 0.140 0.000 1.079 187 I HN 0.070 nan 8.210 nan 0.000 0.431 188 A N 0.039 122.883 122.820 0.040 0.000 2.067 188 A HA -0.030 4.295 4.320 0.009 0.000 0.219 188 A C 2.451 180.013 177.584 -0.036 0.000 1.158 188 A CA 1.331 53.375 52.037 0.011 0.000 0.661 188 A CB -0.946 18.039 19.000 -0.025 0.000 0.801 188 A HN 0.459 nan 8.150 nan 0.000 0.452 189 A N -1.369 121.381 122.820 -0.118 0.000 2.070 189 A HA 0.090 4.416 4.320 0.009 0.000 0.220 189 A C 1.484 178.806 177.584 -0.437 0.000 1.159 189 A CA 1.101 52.944 52.037 -0.322 0.000 0.656 189 A CB -0.596 18.101 19.000 -0.505 0.000 0.800 189 A HN 0.504 nan 8.150 nan 0.000 0.453 190 F N -1.397 118.505 119.950 -0.081 0.000 2.695 190 F HA 0.386 4.919 4.527 0.009 0.000 0.303 190 F C 1.750 177.555 175.800 0.007 0.000 1.091 190 F CA 0.506 58.474 58.000 -0.053 0.000 1.300 190 F CB 0.341 39.319 39.000 -0.037 0.000 1.071 190 F HN 0.314 nan 8.300 nan 0.000 0.578 191 G N 0.401 109.275 108.800 0.124 0.000 2.157 191 G HA2 -0.191 3.774 3.960 0.009 0.000 0.248 191 G HA3 -0.191 3.774 3.960 0.009 0.000 0.248 191 G C 0.623 175.588 174.900 0.107 0.000 0.979 191 G CA -0.240 44.916 45.100 0.093 0.000 0.650 191 G HN 0.714 nan 8.290 nan 0.000 0.529 192 G N -0.436 108.450 108.800 0.143 0.000 2.444 192 G HA2 0.469 4.435 3.960 0.009 0.000 0.268 192 G HA3 0.469 4.435 3.960 0.009 0.000 0.268 192 G C -0.644 174.302 174.900 0.078 0.000 1.203 192 G CA 0.262 45.435 45.100 0.122 0.000 0.835 192 G HN 0.215 nan 8.290 nan 0.000 0.543 193 D N 1.849 122.284 120.400 0.058 0.000 2.396 193 D HA 0.264 4.909 4.640 0.009 0.000 0.225 193 D C -1.128 175.196 176.300 0.039 0.000 1.121 193 D CA -2.362 51.654 54.000 0.027 0.000 0.853 193 D CB 1.939 42.736 40.800 -0.004 0.000 1.043 193 D HN 0.073 nan 8.370 nan 0.000 0.500 194 P HA -0.051 nan 4.420 nan 0.000 0.230 194 P C 1.166 178.543 177.300 0.129 0.000 1.158 194 P CA 0.607 63.760 63.100 0.088 0.000 0.769 194 P CB 0.217 31.952 31.700 0.059 0.000 0.807 195 M N -1.349 118.250 119.600 -0.002 0.000 2.495 195 M HA 0.091 4.576 4.480 0.009 0.000 0.237 195 M C 0.682 176.575 176.300 -0.680 0.000 1.131 195 M CA 0.491 55.678 55.300 -0.189 0.000 1.032 195 M CB 0.197 32.717 32.600 -0.134 0.000 1.513 195 M HN -0.182 nan 8.290 nan 0.000 0.488 196 S N 1.094 116.601 115.700 -0.323 0.000 2.279 196 S HA 0.443 4.918 4.470 0.009 0.000 0.176 196 S C -1.004 173.620 174.600 0.040 0.000 1.554 196 S CA -0.492 57.551 58.200 -0.262 0.000 1.242 196 S CB 0.504 63.603 63.200 -0.167 0.000 1.163 196 S HN 0.002 nan 8.310 nan 0.000 0.449 197 V N 4.157 124.264 119.914 0.321 0.000 2.407 197 V HA 0.516 4.641 4.120 0.009 0.000 0.291 197 V C -0.068 176.224 176.094 0.330 0.000 1.018 197 V CA -0.474 62.020 62.300 0.324 0.000 0.842 197 V CB 1.881 33.910 31.823 0.343 0.000 0.996 197 V HN 0.718 nan 8.190 nan 0.000 0.426 198 T N 6.659 121.348 114.554 0.225 0.000 2.770 198 T HA 0.576 4.931 4.350 0.009 0.000 0.283 198 T C -0.156 174.687 174.700 0.239 0.000 0.988 198 T CA -0.333 61.899 62.100 0.219 0.000 0.957 198 T CB 0.772 69.713 68.868 0.120 0.000 0.930 198 T HN 0.343 nan 8.240 nan 0.000 0.443 199 L N 4.915 126.251 121.223 0.188 0.000 2.349 199 L HA 0.639 4.985 4.340 0.009 0.000 0.275 199 L C -0.269 176.807 176.870 0.343 0.000 1.115 199 L CA -0.715 54.202 54.840 0.129 0.000 0.820 199 L CB 0.192 42.109 42.059 -0.236 0.000 1.135 199 L HN 0.614 nan 8.230 nan 0.000 0.445 200 F N 0.312 120.321 119.950 0.099 0.000 2.626 200 F HA 0.969 5.501 4.527 0.008 0.000 0.311 200 F C -0.297 175.476 175.800 -0.044 0.000 1.088 200 F CA -1.629 56.469 58.000 0.164 0.000 0.949 200 F CB 1.655 40.889 39.000 0.389 0.000 1.322 200 F HN 0.481 nan 8.300 nan 0.000 0.461 201 G N 0.936 109.595 108.800 -0.236 0.000 2.579 201 G HA2 0.465 4.431 3.960 0.009 0.000 0.292 201 G HA3 0.465 4.431 3.960 0.009 0.000 0.292 201 G C -2.582 172.072 174.900 -0.410 0.000 1.484 201 G CA -0.798 43.779 45.100 -0.872 0.000 0.813 201 G HN 0.877 nan 8.290 nan 0.000 0.515 202 E N 0.414 120.311 120.200 -0.506 0.000 2.212 202 E HA 0.658 5.013 4.350 0.009 0.000 0.268 202 E C 0.870 177.387 176.600 -0.139 0.000 0.902 202 E CA 0.612 56.957 56.400 -0.091 0.000 0.779 202 E CB 1.973 31.762 29.700 0.148 0.000 1.172 202 E HN 1.824 nan 8.360 nan 0.000 0.409 203 A N 3.547 126.362 122.820 -0.008 0.000 5.218 203 A HA -0.391 3.934 4.320 0.009 0.000 0.318 203 A C 1.652 179.303 177.584 0.111 0.000 1.887 203 A CA 2.288 54.385 52.037 0.100 0.000 0.712 203 A CB -2.164 16.817 19.000 -0.031 0.000 1.343 203 A HN 1.223 nan 8.150 nan 0.000 0.377 204 A N -1.133 121.619 122.820 -0.113 0.000 2.024 204 A HA 0.213 4.538 4.320 0.009 0.000 0.220 204 A C 2.820 180.141 177.584 -0.438 0.000 1.164 204 A CA 2.456 54.252 52.037 -0.401 0.000 0.643 204 A CB -1.497 16.832 19.000 -1.118 0.000 0.806 204 A HN 2.368 nan 8.150 nan 0.000 0.451 205 G N -0.563 108.015 108.800 -0.370 0.000 2.418 205 G HA2 0.021 3.986 3.960 0.009 0.000 0.217 205 G HA3 0.021 3.986 3.960 0.009 0.000 0.217 205 G C 1.718 176.438 174.900 -0.301 0.000 1.158 205 G CA 1.300 46.138 45.100 -0.437 0.000 0.771 205 G HN 0.769 nan 8.290 nan 0.000 0.545 206 A N 1.157 123.872 122.820 -0.176 0.000 1.898 206 A HA 0.318 4.644 4.320 0.009 0.000 0.216 206 A C 2.814 180.383 177.584 -0.025 0.000 1.181 206 A CA 2.128 54.128 52.037 -0.062 0.000 0.620 206 A CB -0.768 18.252 19.000 0.033 0.000 0.819 206 A HN 0.737 nan 8.150 nan 0.000 0.442 207 A N -0.358 122.475 122.820 0.021 0.000 1.877 207 A HA -0.093 4.233 4.320 0.009 0.000 0.216 207 A C 2.432 180.029 177.584 0.023 0.000 1.186 207 A CA 2.103 54.151 52.037 0.018 0.000 0.620 207 A CB -1.011 18.021 19.000 0.054 0.000 0.822 207 A HN 0.453 nan 8.150 nan 0.000 0.443 208 S N -0.383 115.334 115.700 0.028 0.000 2.368 208 S HA -0.199 4.276 4.470 0.009 0.000 0.226 208 S C 1.896 176.460 174.600 -0.059 0.000 1.044 208 S CA 1.655 59.827 58.200 -0.048 0.000 1.062 208 S CB -0.693 62.417 63.200 -0.150 0.000 0.931 208 S HN 0.357 nan 8.310 nan 0.000 0.440 209 V N 1.502 121.391 119.914 -0.042 0.000 2.332 209 V HA -0.186 3.939 4.120 0.009 0.000 0.248 209 V C 2.604 178.701 176.094 0.004 0.000 1.055 209 V CA 2.028 64.312 62.300 -0.026 0.000 1.038 209 V CB -1.476 30.305 31.823 -0.070 0.000 0.651 209 V HN 0.618 nan 8.190 nan 0.000 0.450 210 G N -1.104 107.693 108.800 -0.006 0.000 2.422 210 G HA2 -0.256 3.709 3.960 0.009 0.000 0.218 210 G HA3 -0.256 3.709 3.960 0.009 0.000 0.218 210 G C 1.611 176.529 174.900 0.030 0.000 1.146 210 G CA 0.948 46.050 45.100 0.004 0.000 0.769 210 G HN 0.447 nan 8.290 nan 0.000 0.547 211 M N -0.111 119.488 119.600 -0.001 0.000 2.229 211 M HA 0.019 4.504 4.480 0.009 0.000 0.264 211 M C 2.293 178.642 176.300 0.081 0.000 1.063 211 M CA 0.839 56.162 55.300 0.038 0.000 1.114 211 M CB -0.221 32.389 32.600 0.018 0.000 1.387 211 M HN 0.198 nan 8.290 nan 0.000 0.420 212 H N -0.032 119.141 119.070 0.172 0.000 2.389 212 H HA -0.025 4.536 4.556 0.008 0.000 0.299 212 H C 2.131 177.645 175.328 0.309 0.000 1.081 212 H CA 1.451 57.607 56.048 0.180 0.000 1.345 212 H CB -0.342 29.409 29.762 -0.018 0.000 1.393 212 H HN 0.416 nan 8.280 nan 0.000 0.520 213 I N 0.669 121.490 120.570 0.418 0.000 2.286 213 I HA -0.249 3.927 4.170 0.009 0.000 0.248 213 I C 1.910 178.191 176.117 0.272 0.000 1.115 213 I CA 1.125 62.676 61.300 0.418 0.000 1.392 213 I CB -0.124 38.038 38.000 0.269 0.000 1.065 213 I HN 0.117 nan 8.210 nan 0.000 0.418 214 L N -0.842 120.495 121.223 0.189 0.000 2.592 214 L HA 0.091 4.437 4.340 0.009 0.000 0.227 214 L C 0.954 177.855 176.870 0.051 0.000 1.127 214 L CA 0.047 54.974 54.840 0.146 0.000 0.884 214 L CB 0.022 42.151 42.059 0.117 0.000 1.065 214 L HN 0.012 nan 8.230 nan 0.000 0.457 215 S N -0.173 115.523 115.700 -0.007 0.000 2.498 215 S HA 0.236 4.712 4.470 0.009 0.000 0.324 215 S C 0.682 175.201 174.600 -0.134 0.000 1.071 215 S CA -0.603 57.474 58.200 -0.205 0.000 1.113 215 S CB 1.326 64.123 63.200 -0.672 0.000 0.976 215 S HN 0.119 nan 8.310 nan 0.000 0.462 216 L N 7.488 128.640 121.223 -0.118 0.000 2.012 216 L HA 0.081 4.427 4.340 0.009 0.000 0.210 216 L C -1.029 175.798 176.870 -0.072 0.000 1.073 216 L CA 2.115 56.908 54.840 -0.078 0.000 0.748 216 L CB -1.061 40.955 42.059 -0.071 0.000 0.891 216 L HN 0.498 nan 8.230 nan 0.000 0.431 217 P HA -0.070 nan 4.420 nan 0.000 0.225 217 P C 1.460 178.758 177.300 -0.004 0.000 1.148 217 P CA 1.188 64.256 63.100 -0.053 0.000 0.779 217 P CB 0.050 31.712 31.700 -0.063 0.000 0.780 218 S N -1.184 114.533 115.700 0.028 0.000 2.486 218 S HA 0.058 4.533 4.470 0.009 0.000 0.220 218 S C 1.805 176.520 174.600 0.193 0.000 1.011 218 S CA 0.176 58.486 58.200 0.184 0.000 0.921 218 S CB -0.235 63.195 63.200 0.385 0.000 0.785 218 S HN 0.045 nan 8.310 nan 0.000 0.517 219 R N 2.208 122.722 120.500 0.024 0.000 2.120 219 R HA 0.010 4.355 4.340 0.009 0.000 0.234 219 R C 2.107 178.192 176.300 -0.359 0.000 1.123 219 R CA 1.357 57.326 56.100 -0.219 0.000 0.975 219 R CB -1.126 29.084 30.300 -0.149 0.000 0.866 219 R HN 0.538 nan 8.270 nan 0.000 0.446 220 S N -0.120 115.469 115.700 -0.184 0.000 2.603 220 S HA 0.098 4.574 4.470 0.009 0.000 0.220 220 S C 1.658 176.155 174.600 -0.171 0.000 0.967 220 S CA 0.183 58.275 58.200 -0.179 0.000 0.920 220 S CB -0.098 63.049 63.200 -0.089 0.000 0.773 220 S HN 0.197 nan 8.310 nan 0.000 0.529 221 L N 0.359 121.516 121.223 -0.110 0.000 2.693 221 L HA 0.481 4.826 4.340 0.009 0.000 0.235 221 L C -0.022 176.897 176.870 0.081 0.000 1.127 221 L CA -0.284 54.572 54.840 0.025 0.000 0.914 221 L CB 0.019 42.150 42.059 0.121 0.000 1.193 221 L HN 0.496 nan 8.230 nan 0.000 0.502 222 F N -4.273 115.491 119.950 -0.309 0.000 2.741 222 F HA 0.450 4.982 4.527 0.008 0.000 0.313 222 F C 0.331 175.814 175.800 -0.529 0.000 1.153 222 F CA -1.006 56.799 58.000 -0.324 0.000 0.931 222 F CB 0.806 39.758 39.000 -0.080 0.000 1.335 222 F HN -0.152 nan 8.300 nan 0.000 0.460 223 H N -0.526 118.595 119.070 0.085 0.000 3.091 223 H HA 0.453 5.014 4.556 0.008 0.000 0.249 223 H C -0.070 175.277 175.328 0.032 0.000 0.985 223 H CA -0.034 55.988 56.048 -0.043 0.000 1.177 223 H CB 1.049 30.793 29.762 -0.030 0.000 1.456 223 H HN 0.432 nan 8.280 nan 0.000 0.467 224 R N 0.147 120.827 120.500 0.300 0.000 2.799 224 R HA 0.712 5.057 4.340 0.009 0.000 0.270 224 R C -1.485 175.067 176.300 0.420 0.000 1.010 224 R CA -0.681 55.569 56.100 0.249 0.000 0.916 224 R CB 2.890 33.147 30.300 -0.071 0.000 1.228 224 R HN 0.145 nan 8.270 nan 0.000 0.469 225 A N 1.081 124.171 122.820 0.450 0.000 2.488 225 A HA 0.629 4.954 4.320 0.009 0.000 0.298 225 A C -1.475 176.267 177.584 0.263 0.000 1.044 225 A CA -0.575 51.663 52.037 0.334 0.000 0.693 225 A CB 1.800 20.972 19.000 0.286 0.000 1.272 225 A HN 0.301 nan 8.150 nan 0.000 0.402 226 V N 2.531 122.558 119.914 0.187 0.000 2.487 226 V HA 0.522 4.647 4.120 0.009 0.000 0.298 226 V C -1.022 175.159 176.094 0.145 0.000 1.028 226 V CA -0.330 62.015 62.300 0.074 0.000 0.860 226 V CB 1.298 33.159 31.823 0.064 0.000 0.991 226 V HN 0.695 nan 8.190 nan 0.000 0.427 227 L N 5.289 126.573 121.223 0.101 0.000 2.353 227 L HA 0.500 4.845 4.340 0.009 0.000 0.270 227 L C -0.010 176.967 176.870 0.179 0.000 1.003 227 L CA 0.048 54.952 54.840 0.105 0.000 0.862 227 L CB 1.491 43.568 42.059 0.031 0.000 1.221 227 L HN 0.621 nan 8.230 nan 0.000 0.430 228 Q N 1.987 121.943 119.800 0.260 0.000 2.360 228 Q HA 0.437 4.782 4.340 0.009 0.000 0.254 228 Q C 0.198 176.331 176.000 0.221 0.000 0.975 228 Q CA -0.485 55.529 55.803 0.352 0.000 0.912 228 Q CB 1.192 30.220 28.738 0.483 0.000 1.212 228 Q HN 0.614 nan 8.270 nan 0.000 0.452 229 S N 1.016 116.833 115.700 0.195 0.000 3.682 229 S HA -0.153 4.322 4.470 0.009 0.000 0.354 229 S C 0.024 174.801 174.600 0.295 0.000 1.034 229 S CA 0.507 58.843 58.200 0.226 0.000 1.084 229 S CB -1.235 62.108 63.200 0.238 0.000 0.903 229 S HN 1.009 nan 8.310 nan 0.000 0.470 230 G N -0.388 108.550 108.800 0.229 0.000 2.556 230 G HA2 0.622 4.587 3.960 0.009 0.000 0.294 230 G HA3 0.622 4.587 3.960 0.009 0.000 0.294 230 G C -0.926 174.046 174.900 0.121 0.000 1.516 230 G CA 0.188 45.477 45.100 0.314 0.000 0.824 230 G HN 0.962 nan 8.290 nan 0.000 0.535 231 T N -1.150 113.417 114.554 0.022 0.000 2.900 231 T HA 0.756 5.111 4.350 0.009 0.000 0.303 231 T C -2.294 172.267 174.700 -0.231 0.000 1.142 231 T CA -1.435 60.599 62.100 -0.109 0.000 1.007 231 T CB 3.139 71.926 68.868 -0.136 0.000 1.156 231 T HN 0.283 nan 8.240 nan 0.000 0.490 232 P HA 0.002 nan 4.420 nan 0.000 0.222 232 P C 0.222 177.372 177.300 -0.250 0.000 1.153 232 P CA 0.560 63.544 63.100 -0.194 0.000 0.798 232 P CB -0.013 31.627 31.700 -0.101 0.000 0.796 233 N N 0.585 119.150 118.700 -0.225 0.000 2.379 233 N HA 0.334 5.079 4.740 0.009 0.000 0.260 233 N C 0.746 176.054 175.510 -0.336 0.000 1.254 233 N CA 0.471 53.386 53.050 -0.224 0.000 0.958 233 N CB 0.312 38.709 38.487 -0.150 0.000 1.208 233 N HN 0.182 nan 8.380 nan 0.000 0.532 234 G N -0.819 107.801 108.800 -0.301 0.000 2.525 234 G HA2 -0.112 3.853 3.960 0.009 0.000 0.685 234 G HA3 -0.112 3.853 3.960 0.009 0.000 0.685 234 G C -2.307 172.357 174.900 -0.393 0.000 1.290 234 G CA -0.237 44.637 45.100 -0.378 0.000 0.915 234 G HN 0.545 nan 8.290 nan 0.000 0.548 235 P HA 0.141 nan 4.420 nan 0.000 0.240 235 P C 1.387 178.636 177.300 -0.085 0.000 1.190 235 P CA 1.884 64.856 63.100 -0.213 0.000 0.781 235 P CB -0.050 31.502 31.700 -0.248 0.000 0.931 236 W N -1.758 119.466 121.300 -0.126 0.000 2.835 236 W HA 0.545 5.209 4.660 0.007 0.000 0.278 236 W C 1.129 177.733 176.519 0.143 0.000 1.075 236 W CA 0.444 57.797 57.345 0.013 0.000 1.439 236 W CB -0.796 28.718 29.460 0.091 0.000 0.927 236 W HN -0.174 nan 8.180 nan 0.000 0.604 237 A N 2.048 124.520 122.820 -0.580 0.000 2.066 237 A HA 0.086 4.412 4.320 0.009 0.000 0.218 237 A C 1.211 178.648 177.584 -0.245 0.000 1.157 237 A CA 2.011 53.783 52.037 -0.442 0.000 0.670 237 A CB -0.852 17.654 19.000 -0.823 0.000 0.804 237 A HN 0.292 nan 8.150 nan 0.000 0.453 238 T N -3.745 110.680 114.554 -0.215 0.000 2.841 238 T HA 0.623 4.978 4.350 0.009 0.000 0.296 238 T C -0.646 173.981 174.700 -0.122 0.000 1.166 238 T CA -0.118 61.867 62.100 -0.191 0.000 1.007 238 T CB 1.438 70.203 68.868 -0.172 0.000 1.253 238 T HN 0.936 nan 8.240 nan 0.000 0.511 239 V N -1.431 118.418 119.914 -0.108 0.000 3.130 239 V HA 0.893 5.019 4.120 0.009 0.000 0.310 239 V C 0.267 176.323 176.094 -0.063 0.000 1.158 239 V CA -0.839 61.414 62.300 -0.078 0.000 1.029 239 V CB 1.306 33.082 31.823 -0.080 0.000 1.057 239 V HN 1.416 nan 8.190 nan 0.000 0.436 240 S N 1.551 117.220 115.700 -0.052 0.000 2.584 240 S HA 0.519 4.994 4.470 0.009 0.000 0.270 240 S C 1.445 176.026 174.600 -0.032 0.000 1.346 240 S CA 0.157 58.334 58.200 -0.039 0.000 1.018 240 S CB 1.133 64.312 63.200 -0.035 0.000 0.899 240 S HN 2.024 nan 8.310 nan 0.000 0.542 241 A N 2.646 125.452 122.820 -0.022 0.000 1.908 241 A HA 0.058 4.383 4.320 0.009 0.000 0.218 241 A C 2.237 179.810 177.584 -0.019 0.000 1.181 241 A CA 1.904 53.932 52.037 -0.015 0.000 0.627 241 A CB -1.863 17.132 19.000 -0.009 0.000 0.818 241 A HN 1.190 nan 8.150 nan 0.000 0.445 242 G N -0.602 108.185 108.800 -0.022 0.000 2.418 242 G HA2 -0.230 3.735 3.960 0.009 0.000 0.217 242 G HA3 -0.230 3.735 3.960 0.009 0.000 0.217 242 G C 1.476 176.358 174.900 -0.030 0.000 1.158 242 G CA 1.377 46.463 45.100 -0.023 0.000 0.771 242 G HN 0.605 nan 8.290 nan 0.000 0.545 243 E N 0.891 121.068 120.200 -0.038 0.000 2.107 243 E HA 0.135 4.490 4.350 0.009 0.000 0.191 243 E C 2.621 179.183 176.600 -0.063 0.000 0.982 243 E CA 1.306 57.675 56.400 -0.052 0.000 0.809 243 E CB -0.486 29.179 29.700 -0.058 0.000 0.756 243 E HN 0.263 nan 8.360 nan 0.000 0.459 244 A N 1.054 123.844 122.820 -0.051 0.000 1.902 244 A HA -0.196 4.129 4.320 0.009 0.000 0.217 244 A C 2.291 179.865 177.584 -0.018 0.000 1.181 244 A CA 1.792 53.806 52.037 -0.038 0.000 0.623 244 A CB -0.665 18.330 19.000 -0.008 0.000 0.818 244 A HN 0.291 nan 8.150 nan 0.000 0.443 245 R N -0.493 119.995 120.500 -0.019 0.000 2.083 245 R HA -0.173 4.173 4.340 0.009 0.000 0.237 245 R C 2.453 178.741 176.300 -0.020 0.000 1.137 245 R CA 1.844 57.934 56.100 -0.018 0.000 0.951 245 R CB -0.340 29.948 30.300 -0.019 0.000 0.851 245 R HN 0.525 nan 8.270 nan 0.000 0.434 246 R N 0.295 120.778 120.500 -0.028 0.000 2.081 246 R HA -0.128 4.217 4.340 0.009 0.000 0.235 246 R C 2.237 178.518 176.300 -0.032 0.000 1.131 246 R CA 1.806 57.889 56.100 -0.030 0.000 0.960 246 R CB -0.063 30.216 30.300 -0.035 0.000 0.856 246 R HN 0.290 nan 8.270 nan 0.000 0.436 247 R N -0.332 120.132 120.500 -0.060 0.000 2.090 247 R HA -0.015 4.331 4.340 0.009 0.000 0.228 247 R C 2.341 178.679 176.300 0.063 0.000 1.110 247 R CA 1.152 57.200 56.100 -0.087 0.000 0.973 247 R CB -0.274 29.830 30.300 -0.326 0.000 0.869 247 R HN 0.216 nan 8.270 nan 0.000 0.440 248 A N 0.635 123.520 122.820 0.108 0.000 1.902 248 A HA -0.148 4.178 4.320 0.009 0.000 0.217 248 A C 2.123 179.719 177.584 0.020 0.000 1.181 248 A CA 1.907 54.012 52.037 0.114 0.000 0.623 248 A CB -0.754 18.259 19.000 0.022 0.000 0.818 248 A HN 0.264 nan 8.150 nan 0.000 0.443 249 T N -0.014 114.540 114.554 0.000 0.000 2.777 249 T HA -0.095 4.260 4.350 0.009 0.000 0.266 249 T C 1.834 176.530 174.700 -0.007 0.000 1.040 249 T CA 1.387 63.478 62.100 -0.016 0.000 1.141 249 T CB -0.336 68.521 68.868 -0.018 0.000 0.868 249 T HN 0.295 nan 8.240 nan 0.000 0.444 250 L N 1.225 122.453 121.223 0.008 0.000 2.017 250 L HA 0.096 4.441 4.340 0.009 0.000 0.208 250 L C 2.239 179.124 176.870 0.026 0.000 1.073 250 L CA 1.474 56.323 54.840 0.015 0.000 0.745 250 L CB -1.010 41.061 42.059 0.020 0.000 0.894 250 L HN 0.203 nan 8.230 nan 0.000 0.432 251 L N -0.216 121.047 121.223 0.066 0.000 2.012 251 L HA -0.194 4.152 4.340 0.009 0.000 0.210 251 L C 2.530 179.389 176.870 -0.019 0.000 1.073 251 L CA 2.106 56.988 54.840 0.071 0.000 0.748 251 L CB -0.802 41.351 42.059 0.157 0.000 0.891 251 L HN 0.328 nan 8.230 nan 0.000 0.431 252 A N -0.240 122.561 122.820 -0.033 0.000 1.873 252 A HA -0.294 4.031 4.320 0.009 0.000 0.218 252 A C 2.398 179.947 177.584 -0.059 0.000 1.193 252 A CA 2.234 54.236 52.037 -0.057 0.000 0.629 252 A CB -0.715 18.250 19.000 -0.059 0.000 0.826 252 A HN 0.533 nan 8.150 nan 0.000 0.447 253 R N -0.719 119.754 120.500 -0.046 0.000 2.080 253 R HA -0.108 4.237 4.340 0.009 0.000 0.236 253 R C 2.098 178.350 176.300 -0.080 0.000 1.137 253 R CA 1.655 57.726 56.100 -0.048 0.000 0.943 253 R CB -0.656 29.626 30.300 -0.030 0.000 0.846 253 R HN 0.557 nan 8.270 nan 0.000 0.431 254 L N 0.915 122.079 121.223 -0.098 0.000 2.261 254 L HA -0.120 4.225 4.340 0.009 0.000 0.216 254 L C 1.963 178.597 176.870 -0.394 0.000 1.114 254 L CA 0.814 55.539 54.840 -0.190 0.000 0.777 254 L CB -0.285 41.696 42.059 -0.129 0.000 0.910 254 L HN 0.190 nan 8.230 nan 0.000 0.440 255 V N -4.231 115.507 119.914 -0.294 0.000 3.376 255 V HA 0.527 4.652 4.120 0.009 0.000 0.313 255 V C 1.107 177.131 176.094 -0.116 0.000 1.393 255 V CA 0.205 62.352 62.300 -0.255 0.000 1.125 255 V CB -0.104 31.615 31.823 -0.173 0.000 1.037 255 V HN 0.406 nan 8.190 nan 0.000 0.440 256 G N -0.241 108.503 108.800 -0.094 0.000 2.142 256 G HA2 -0.221 3.744 3.960 0.009 0.000 0.225 256 G HA3 -0.221 3.744 3.960 0.009 0.000 0.225 256 G C -0.036 174.842 174.900 -0.036 0.000 1.015 256 G CA -0.052 45.017 45.100 -0.052 0.000 0.716 256 G HN 0.696 nan 8.290 nan 0.000 0.508 257 c N 1.625 120.201 118.600 -0.041 0.000 2.271 257 c HA 0.612 5.188 4.570 0.009 0.000 0.323 257 c C -1.046 173.026 174.090 -0.030 0.000 1.245 257 c CA -1.444 54.868 56.329 -0.030 0.000 1.548 257 c CB 0.964 43.456 42.510 -0.030 0.000 2.214 257 c HN 0.449 nan 8.230 nan 0.000 0.477 266 D N 1.015 121.406 120.400 -0.014 0.000 2.149 266 D HA -0.040 4.605 4.640 0.009 0.000 0.201 266 D C 1.292 177.582 176.300 -0.018 0.000 0.972 266 D CA 1.529 55.516 54.000 -0.022 0.000 0.835 266 D CB 0.167 40.953 40.800 -0.023 0.000 0.966 266 D HN 0.617 nan 8.370 nan 0.000 0.476 267 T N 1.282 115.832 114.554 -0.007 0.000 2.624 267 T HA -0.195 4.160 4.350 0.009 0.000 0.268 267 T C 1.789 176.491 174.700 0.003 0.000 1.041 267 T CA 1.380 63.481 62.100 0.002 0.000 1.159 267 T CB -0.307 68.564 68.868 0.006 0.000 0.863 267 T HN 0.303 nan 8.240 nan 0.000 0.434 268 E N 0.522 120.721 120.200 -0.001 0.000 2.058 268 E HA -0.101 4.254 4.350 0.009 0.000 0.194 268 E C 2.272 178.869 176.600 -0.004 0.000 0.997 268 E CA 0.945 57.345 56.400 -0.000 0.000 0.801 268 E CB -0.316 29.382 29.700 -0.003 0.000 0.746 268 E HN 0.380 nan 8.360 nan 0.000 0.450 269 L N 0.876 122.090 121.223 -0.015 0.000 2.017 269 L HA -0.195 4.150 4.340 0.009 0.000 0.208 269 L C 2.279 179.130 176.870 -0.031 0.000 1.073 269 L CA 1.260 56.083 54.840 -0.028 0.000 0.745 269 L CB -0.104 41.929 42.059 -0.043 0.000 0.894 269 L HN 0.108 nan 8.230 nan 0.000 0.432 270 I N -0.060 120.491 120.570 -0.032 0.000 2.252 270 I HA -0.263 3.913 4.170 0.009 0.000 0.245 270 I C 2.764 178.921 176.117 0.067 0.000 1.102 270 I CA 1.098 62.389 61.300 -0.015 0.000 1.385 270 I CB -0.608 37.383 38.000 -0.014 0.000 1.064 270 I HN 0.328 nan 8.210 nan 0.000 0.414 271 A N -0.234 122.614 122.820 0.047 0.000 1.908 271 A HA -0.304 4.021 4.320 0.009 0.000 0.218 271 A C 2.532 180.146 177.584 0.049 0.000 1.181 271 A CA 2.052 54.120 52.037 0.051 0.000 0.627 271 A CB -1.356 17.663 19.000 0.031 0.000 0.818 271 A HN 0.640 nan 8.150 nan 0.000 0.445 272 c N -0.644 117.975 118.600 0.032 0.000 2.446 272 c HA 0.046 4.621 4.570 0.009 0.000 0.277 272 c C 2.578 176.693 174.090 0.042 0.000 1.275 272 c CA 0.986 57.330 56.329 0.025 0.000 1.727 272 c CB -1.577 40.938 42.510 0.007 0.000 2.010 272 c HN 0.585 nan 8.230 nan 0.000 0.486 273 L N 0.412 121.671 121.223 0.059 0.000 2.127 273 L HA -0.139 4.206 4.340 0.009 0.000 0.211 273 L C 2.949 179.934 176.870 0.191 0.000 1.089 273 L CA 1.570 56.482 54.840 0.119 0.000 0.757 273 L CB -0.620 41.501 42.059 0.102 0.000 0.899 273 L HN 0.363 nan 8.230 nan 0.000 0.434 274 R N -0.641 119.968 120.500 0.181 0.000 2.235 274 R HA -0.094 4.251 4.340 0.009 0.000 0.213 274 R C 2.110 178.432 176.300 0.036 0.000 1.059 274 R CA 1.536 57.694 56.100 0.098 0.000 0.997 274 R CB -0.281 30.068 30.300 0.082 0.000 0.884 274 R HN 0.488 nan 8.270 nan 0.000 0.462 275 T N -1.555 113.023 114.554 0.041 0.000 3.148 275 T HA 0.110 4.466 4.350 0.009 0.000 0.253 275 T C 0.818 175.530 174.700 0.019 0.000 1.134 275 T CA -0.056 62.057 62.100 0.022 0.000 1.051 275 T CB 0.154 69.034 68.868 0.020 0.000 0.959 275 T HN -0.129 nan 8.240 nan 0.000 0.525 276 R N 2.493 123.010 120.500 0.029 0.000 2.410 276 R HA 0.425 4.771 4.340 0.009 0.000 0.288 276 R C -2.767 173.544 176.300 0.018 0.000 1.051 276 R CA -2.526 53.590 56.100 0.028 0.000 1.021 276 R CB 0.153 30.474 30.300 0.035 0.000 1.032 276 R HN 0.230 nan 8.270 nan 0.000 0.481 277 P HA 0.015 nan 4.420 nan 0.000 0.268 277 P C 0.315 177.602 177.300 -0.021 0.000 1.205 277 P CA 0.140 63.233 63.100 -0.011 0.000 0.771 277 P CB 0.592 32.298 31.700 0.010 0.000 0.858 278 A N 2.635 125.376 122.820 -0.131 0.000 1.948 278 A HA -0.284 4.041 4.320 0.009 0.000 0.220 278 A C 2.153 179.675 177.584 -0.104 0.000 1.177 278 A CA 1.963 53.890 52.037 -0.182 0.000 0.636 278 A CB -1.134 17.295 19.000 -0.952 0.000 0.815 278 A HN 0.551 nan 8.150 nan 0.000 0.449 279 Q N -0.078 119.659 119.800 -0.106 0.000 2.167 279 Q HA -0.138 4.208 4.340 0.009 0.000 0.202 279 Q C 1.309 177.424 176.000 0.191 0.000 0.970 279 Q CA 1.877 57.773 55.803 0.153 0.000 0.855 279 Q CB -0.324 28.532 28.738 0.197 0.000 0.911 279 Q HN 0.616 nan 8.270 nan 0.000 0.438 280 D N -0.459 120.031 120.400 0.151 0.000 2.117 280 D HA -0.135 4.510 4.640 0.009 0.000 0.197 280 D C 1.736 178.196 176.300 0.266 0.000 0.987 280 D CA 1.043 55.172 54.000 0.216 0.000 0.829 280 D CB -0.123 40.775 40.800 0.163 0.000 0.961 280 D HN 0.291 nan 8.370 nan 0.000 0.460 281 L N 0.022 121.334 121.223 0.148 0.000 1.994 281 L HA -0.163 4.182 4.340 0.009 0.000 0.208 281 L C 2.529 179.466 176.870 0.112 0.000 1.071 281 L CA 0.747 55.618 54.840 0.051 0.000 0.745 281 L CB -0.692 41.252 42.059 -0.190 0.000 0.892 281 L HN -0.032 nan 8.230 nan 0.000 0.431 282 V N -0.011 120.032 119.914 0.216 0.000 2.287 282 V HA -0.316 3.810 4.120 0.009 0.000 0.248 282 V C 2.081 178.344 176.094 0.281 0.000 1.053 282 V CA 2.023 64.510 62.300 0.312 0.000 1.027 282 V CB -0.634 31.488 31.823 0.498 0.000 0.646 282 V HN 0.445 nan 8.190 nan 0.000 0.447 283 D N -0.914 119.628 120.400 0.236 0.000 2.265 283 D HA -0.148 4.497 4.640 0.009 0.000 0.208 283 D C 1.738 178.016 176.300 -0.037 0.000 0.977 283 D CA 1.417 55.480 54.000 0.106 0.000 0.871 283 D CB -0.214 40.590 40.800 0.006 0.000 0.925 283 D HN 0.659 nan 8.370 nan 0.000 0.485 284 H N -1.042 118.156 119.070 0.213 0.000 2.755 284 H HA 0.121 4.682 4.556 0.009 0.000 0.273 284 H C 1.494 176.899 175.328 0.129 0.000 1.055 284 H CA 0.113 56.325 56.048 0.273 0.000 1.191 284 H CB 0.428 30.319 29.762 0.215 0.000 1.536 284 H HN 0.247 nan 8.280 nan 0.000 0.529 285 E N 0.239 120.472 120.200 0.056 0.000 2.338 285 E HA -0.173 4.183 4.350 0.009 0.000 0.197 285 E C 0.466 176.767 176.600 -0.497 0.000 1.007 285 E CA 0.787 57.103 56.400 -0.139 0.000 0.849 285 E CB -0.171 29.384 29.700 -0.242 0.000 0.774 285 E HN 0.552 nan 8.360 nan 0.000 0.506 286 W N 0.552 121.780 121.300 -0.120 0.000 3.353 286 W HA 0.173 4.838 4.660 0.008 0.000 0.304 286 W C 1.046 177.405 176.519 -0.267 0.000 1.273 286 W CA -0.388 56.805 57.345 -0.253 0.000 1.773 286 W CB 0.343 29.576 29.460 -0.377 0.000 1.095 286 W HN 0.162 nan 8.180 nan 0.000 0.676 287 H N 0.008 119.170 119.070 0.153 0.000 2.517 287 H HA 0.135 4.697 4.556 0.009 0.000 0.282 287 H C 1.611 176.983 175.328 0.074 0.000 1.023 287 H CA 0.586 56.712 56.048 0.130 0.000 1.169 287 H CB -0.048 29.810 29.762 0.160 0.000 1.454 287 H HN 0.251 nan 8.280 nan 0.000 0.556 288 V N -2.648 117.323 119.914 0.095 0.000 3.432 288 V HA 0.273 4.398 4.120 0.009 0.000 0.298 288 V C 0.647 176.713 176.094 -0.047 0.000 1.464 288 V CA -0.191 62.118 62.300 0.014 0.000 1.046 288 V CB 0.068 31.868 31.823 -0.039 0.000 0.887 288 V HN -0.014 nan 8.190 nan 0.000 0.441 289 L N 2.547 123.757 121.223 -0.020 0.000 2.453 289 L HA 0.274 4.619 4.340 0.009 0.000 0.272 289 L C -0.479 176.387 176.870 -0.006 0.000 1.182 289 L CA -0.980 53.846 54.840 -0.024 0.000 0.858 289 L CB 0.983 43.057 42.059 0.025 0.000 1.120 289 L HN 0.152 nan 8.230 nan 0.000 0.474 290 P HA -0.061 nan 4.420 nan 0.000 0.222 290 P C -0.306 176.995 177.300 0.002 0.000 1.153 290 P CA 0.990 64.083 63.100 -0.011 0.000 0.798 290 P CB 0.444 32.131 31.700 -0.021 0.000 0.796 291 Q N -1.037 118.765 119.800 0.003 0.000 2.451 291 Q HA 0.328 4.673 4.340 0.009 0.000 0.281 291 Q C -0.592 175.416 176.000 0.013 0.000 1.099 291 Q CA -0.758 55.050 55.803 0.008 0.000 0.806 291 Q CB 1.531 30.269 28.738 0.001 0.000 1.419 291 Q HN -0.029 nan 8.270 nan 0.000 0.427 292 E N 1.117 121.326 120.200 0.016 0.000 2.415 292 E HA 0.282 4.637 4.350 0.009 0.000 0.260 292 E C -0.998 175.604 176.600 0.003 0.000 1.016 292 E CA 0.088 56.497 56.400 0.016 0.000 0.924 292 E CB 0.285 29.997 29.700 0.019 0.000 0.961 292 E HN 0.586 nan 8.360 nan 0.000 0.459 293 S N 4.016 119.713 115.700 -0.005 0.000 2.625 293 S HA 0.656 5.132 4.470 0.009 0.000 0.271 293 S C -0.435 174.144 174.600 -0.035 0.000 1.161 293 S CA -1.039 57.148 58.200 -0.021 0.000 0.820 293 S CB 0.866 64.047 63.200 -0.032 0.000 1.137 293 S HN 0.567 nan 8.310 nan 0.000 0.470 294 I N -2.691 117.858 120.570 -0.036 0.000 2.892 294 I HA 0.798 4.973 4.170 0.009 0.000 0.306 294 I C -0.247 175.810 176.117 -0.101 0.000 1.078 294 I CA -1.156 60.124 61.300 -0.033 0.000 1.032 294 I CB 1.312 39.353 38.000 0.068 0.000 1.229 294 I HN 0.784 nan 8.210 nan 0.000 0.435 295 F N 1.673 121.352 119.950 -0.452 0.000 3.093 295 F HA -0.182 4.350 4.527 0.009 0.000 0.287 295 F C -0.286 174.906 175.800 -1.013 0.000 0.882 295 F CA 0.648 58.111 58.000 -0.896 0.000 1.063 295 F CB -0.640 37.797 39.000 -0.938 0.000 1.097 295 F HN 0.606 nan 8.300 nan 0.000 0.604 296 R N 0.234 120.253 120.500 -0.801 0.000 2.686 296 R HA 0.692 5.037 4.340 0.009 0.000 0.283 296 R C -1.026 174.856 176.300 -0.698 0.000 0.978 296 R CA -0.577 55.140 56.100 -0.640 0.000 0.897 296 R CB 1.420 31.601 30.300 -0.200 0.000 1.192 296 R HN -0.005 nan 8.270 nan 0.000 0.457 297 F N -0.856 119.248 119.950 0.256 0.000 2.565 297 F HA 0.335 4.867 4.527 0.008 0.000 0.313 297 F C 1.416 177.229 175.800 0.023 0.000 1.091 297 F CA -0.801 57.370 58.000 0.284 0.000 0.915 297 F CB 1.951 41.203 39.000 0.420 0.000 1.208 297 F HN 0.354 nan 8.300 nan 0.000 0.453 298 S N 0.847 116.493 115.700 -0.089 0.000 2.368 298 S HA -0.002 4.473 4.470 0.009 0.000 0.224 298 S C -0.057 174.124 174.600 -0.698 0.000 1.029 298 S CA 1.185 59.097 58.200 -0.479 0.000 0.988 298 S CB -0.198 62.579 63.200 -0.705 0.000 0.838 298 S HN 0.364 nan 8.310 nan 0.000 0.462 299 F N 1.305 121.256 119.950 0.002 0.000 2.500 299 F HA 0.562 5.094 4.527 0.009 0.000 0.349 299 F C -0.129 175.676 175.800 0.008 0.000 1.127 299 F CA -0.965 57.067 58.000 0.052 0.000 0.998 299 F CB 1.538 40.596 39.000 0.098 0.000 1.237 299 F HN -0.115 nan 8.300 nan 0.000 0.439 300 V N 0.791 120.665 119.914 -0.066 0.000 3.181 300 V HA 0.759 4.884 4.120 0.009 0.000 0.308 300 V C -2.933 172.803 176.094 -0.598 0.000 1.214 300 V CA -3.305 58.622 62.300 -0.621 0.000 1.053 300 V CB 2.034 33.673 31.823 -0.307 0.000 1.069 300 V HN 0.276 nan 8.190 nan 0.000 0.441 301 P HA 0.126 nan 4.420 nan 0.000 0.264 301 P C -0.709 176.469 177.300 -0.203 0.000 1.179 301 P CA 0.527 63.381 63.100 -0.410 0.000 0.763 301 P CB 0.503 31.887 31.700 -0.526 0.000 0.806 302 V N 4.638 124.505 119.914 -0.077 0.000 2.628 302 V HA 0.249 4.374 4.120 0.009 0.000 0.306 302 V C -0.339 175.742 176.094 -0.023 0.000 1.045 302 V CA -0.890 61.385 62.300 -0.043 0.000 0.905 302 V CB 2.218 34.041 31.823 0.001 0.000 0.997 302 V HN 0.130 nan 8.190 nan 0.000 0.436 303 V N 7.166 127.066 119.914 -0.023 0.000 2.302 303 V HA 0.157 4.282 4.120 0.009 0.000 0.244 303 V C 0.866 176.969 176.094 0.014 0.000 1.160 303 V CA 0.310 62.609 62.300 -0.001 0.000 1.127 303 V CB -0.022 31.791 31.823 -0.016 0.000 1.253 303 V HN 1.062 nan 8.190 nan 0.000 0.496 304 D N 2.565 122.988 120.400 0.038 0.000 2.333 304 D HA 0.073 4.718 4.640 0.009 0.000 0.208 304 D C 1.562 177.886 176.300 0.039 0.000 0.984 304 D CA 0.777 54.802 54.000 0.041 0.000 0.873 304 D CB 0.135 40.972 40.800 0.061 0.000 0.935 304 D HN 0.680 nan 8.370 nan 0.000 0.521 305 G N 0.661 109.485 108.800 0.041 0.000 2.176 305 G HA2 -0.292 3.673 3.960 0.009 0.000 0.252 305 G HA3 -0.292 3.673 3.960 0.009 0.000 0.252 305 G C 0.217 175.139 174.900 0.036 0.000 1.024 305 G CA 0.707 45.825 45.100 0.030 0.000 0.755 305 G HN 0.570 nan 8.290 nan 0.000 0.507 306 D N -1.911 118.526 120.400 0.062 0.000 2.797 306 D HA 0.188 4.833 4.640 0.009 0.000 0.151 306 D C 1.596 177.947 176.300 0.085 0.000 1.472 306 D CA 0.457 54.498 54.000 0.067 0.000 1.553 306 D CB -0.725 40.126 40.800 0.084 0.000 1.590 306 D HN 0.083 nan 8.370 nan 0.000 0.217 307 F N 1.337 121.296 119.950 0.014 0.000 2.095 307 F HA 0.199 4.731 4.527 0.008 0.000 0.298 307 F C 0.635 176.437 175.800 0.003 0.000 1.104 307 F CA 1.268 59.276 58.000 0.014 0.000 1.232 307 F CB 0.159 39.166 39.000 0.012 0.000 0.987 307 F HN 0.001 nan 8.300 nan 0.000 0.475 308 L N 0.887 122.266 121.223 0.261 0.000 2.283 308 L HA 0.192 4.537 4.340 0.009 0.000 0.281 308 L C 1.355 178.264 176.870 0.065 0.000 1.033 308 L CA -0.215 54.709 54.840 0.140 0.000 0.848 308 L CB 1.246 43.384 42.059 0.132 0.000 1.226 308 L HN 0.089 nan 8.230 nan 0.000 0.429 309 S N 0.290 116.006 115.700 0.028 0.000 2.447 309 S HA -0.023 4.453 4.470 0.009 0.000 0.233 309 S C 0.495 175.101 174.600 0.011 0.000 1.006 309 S CA 0.510 58.718 58.200 0.013 0.000 0.957 309 S CB 0.163 63.360 63.200 -0.005 0.000 0.773 309 S HN 0.681 nan 8.310 nan 0.000 0.507 310 D N 0.305 120.713 120.400 0.013 0.000 2.664 310 D HA 0.323 4.968 4.640 0.009 0.000 0.292 310 D C -0.776 175.527 176.300 0.005 0.000 1.214 310 D CA -0.043 53.960 54.000 0.006 0.000 0.932 310 D CB 1.587 42.388 40.800 0.002 0.000 1.420 310 D HN 0.221 nan 8.370 nan 0.000 0.471 311 T N -0.892 113.659 114.554 -0.007 0.000 2.932 311 T HA 0.198 4.553 4.350 0.009 0.000 0.312 311 T C -1.791 172.900 174.700 -0.014 0.000 1.071 311 T CA -0.672 61.416 62.100 -0.019 0.000 1.128 311 T CB 0.952 69.802 68.868 -0.029 0.000 0.984 311 T HN 0.106 nan 8.240 nan 0.000 0.549 312 P HA -0.125 nan 4.420 nan 0.000 0.216 312 P C 1.494 178.781 177.300 -0.020 0.000 1.150 312 P CA 1.078 64.162 63.100 -0.027 0.000 0.843 312 P CB 0.077 31.734 31.700 -0.073 0.000 0.787 313 E N -0.262 119.917 120.200 -0.035 0.000 2.038 313 E HA -0.235 4.120 4.350 0.009 0.000 0.195 313 E C 1.943 178.544 176.600 0.003 0.000 1.000 313 E CA 1.484 57.870 56.400 -0.023 0.000 0.803 313 E CB -0.526 29.153 29.700 -0.034 0.000 0.750 313 E HN 0.084 nan 8.360 nan 0.000 0.448 314 A N 0.897 123.718 122.820 0.002 0.000 1.933 314 A HA -0.141 4.185 4.320 0.009 0.000 0.218 314 A C 2.215 179.818 177.584 0.032 0.000 1.175 314 A CA 1.110 53.153 52.037 0.011 0.000 0.628 314 A CB -0.535 18.466 19.000 0.002 0.000 0.814 314 A HN 0.296 nan 8.150 nan 0.000 0.444 315 L N -0.181 121.069 121.223 0.045 0.000 2.109 315 L HA -0.099 4.246 4.340 0.009 0.000 0.207 315 L C 2.564 179.542 176.870 0.179 0.000 1.086 315 L CA 1.360 56.251 54.840 0.085 0.000 0.760 315 L CB -0.595 41.516 42.059 0.086 0.000 0.910 315 L HN 0.657 nan 8.230 nan 0.000 0.437 316 I N -2.665 118.002 120.570 0.161 0.000 2.439 316 I HA -0.140 4.035 4.170 0.009 0.000 0.251 316 I C 1.870 178.112 176.117 0.209 0.000 1.139 316 I CA 1.295 62.727 61.300 0.219 0.000 1.438 316 I CB -0.447 37.586 38.000 0.054 0.000 1.085 316 I HN 0.173 nan 8.210 nan 0.000 0.427 317 N N 1.294 120.061 118.700 0.112 0.000 2.331 317 N HA -0.095 4.650 4.740 0.009 0.000 0.180 317 N C 1.772 177.321 175.510 0.065 0.000 1.019 317 N CA 1.985 55.083 53.050 0.080 0.000 0.881 317 N CB -0.284 38.228 38.487 0.042 0.000 0.972 317 N HN 0.700 nan 8.380 nan 0.000 0.435 318 T N -4.132 110.452 114.554 0.049 0.000 2.975 318 T HA 0.296 4.651 4.350 0.009 0.000 0.257 318 T C 1.028 175.680 174.700 -0.080 0.000 1.003 318 T CA -0.276 61.820 62.100 -0.006 0.000 0.932 318 T CB 0.001 68.859 68.868 -0.017 0.000 1.087 318 T HN 0.045 nan 8.240 nan 0.000 0.512 319 G N 1.185 109.919 108.800 -0.110 0.000 2.614 319 G HA2 0.372 4.337 3.960 0.009 0.000 0.239 319 G HA3 0.372 4.337 3.960 0.009 0.000 0.239 319 G C -0.951 173.509 174.900 -0.732 0.000 1.240 319 G CA -0.283 44.509 45.100 -0.513 0.000 0.842 319 G HN 0.325 nan 8.290 nan 0.000 0.584 320 D N 0.227 120.129 120.400 -0.831 0.000 2.392 320 D HA 0.374 5.019 4.640 0.009 0.000 0.228 320 D C -0.454 175.438 176.300 -0.680 0.000 1.074 320 D CA -0.744 52.925 54.000 -0.551 0.000 0.838 320 D CB 0.725 41.355 40.800 -0.284 0.000 1.067 320 D HN 0.103 nan 8.370 nan 0.000 0.511 321 F N 1.958 121.910 119.950 0.003 0.000 2.791 321 F HA 0.222 4.754 4.527 0.009 0.000 0.308 321 F C 2.006 177.811 175.800 0.008 0.000 1.138 321 F CA -0.371 57.633 58.000 0.008 0.000 1.294 321 F CB 0.196 39.208 39.000 0.021 0.000 0.975 321 F HN 0.330 nan 8.300 nan 0.000 0.512 322 Q N 0.887 120.744 119.800 0.095 0.000 2.112 322 Q HA -0.226 4.119 4.340 0.009 0.000 0.206 322 Q C 1.583 177.621 176.000 0.065 0.000 0.987 322 Q CA 1.995 57.837 55.803 0.064 0.000 0.858 322 Q CB -0.254 28.495 28.738 0.019 0.000 0.905 322 Q HN 0.493 nan 8.270 nan 0.000 0.420 323 D N -0.137 120.296 120.400 0.055 0.000 2.371 323 D HA -0.080 4.565 4.640 0.009 0.000 0.221 323 D C 0.351 176.687 176.300 0.060 0.000 0.986 323 D CA 0.234 54.258 54.000 0.040 0.000 0.899 323 D CB -0.031 40.774 40.800 0.009 0.000 0.902 323 D HN 0.099 nan 8.370 nan 0.000 0.530 324 L N 0.675 121.962 121.223 0.108 0.000 2.307 324 L HA 0.324 4.669 4.340 0.009 0.000 0.282 324 L C -0.796 176.148 176.870 0.123 0.000 1.051 324 L CA -0.331 54.583 54.840 0.123 0.000 0.804 324 L CB 1.648 43.813 42.059 0.177 0.000 1.197 324 L HN -0.199 nan 8.230 nan 0.000 0.431 325 Q N 4.142 124.033 119.800 0.151 0.000 2.321 325 Q HA 0.700 5.045 4.340 0.009 0.000 0.270 325 Q C -1.430 174.832 176.000 0.437 0.000 1.032 325 Q CA -0.725 55.222 55.803 0.239 0.000 0.784 325 Q CB 2.512 31.340 28.738 0.151 0.000 1.264 325 Q HN 0.543 nan 8.270 nan 0.000 0.448 326 V N 0.242 120.378 119.914 0.369 0.000 2.789 326 V HA 0.706 4.831 4.120 0.009 0.000 0.311 326 V C -1.273 174.759 176.094 -0.103 0.000 1.073 326 V CA -1.121 61.295 62.300 0.194 0.000 0.921 326 V CB 1.739 33.592 31.823 0.050 0.000 1.009 326 V HN 0.622 nan 8.190 nan 0.000 0.426 327 L N 5.769 126.705 121.223 -0.480 0.000 2.313 327 L HA 0.913 5.258 4.340 0.009 0.000 0.283 327 L C -0.321 176.433 176.870 -0.194 0.000 1.013 327 L CA -0.261 54.245 54.840 -0.556 0.000 0.816 327 L CB 1.570 42.858 42.059 -1.284 0.000 1.236 327 L HN 0.975 nan 8.230 nan 0.000 0.419 328 V N 2.078 121.957 119.914 -0.058 0.000 2.962 328 V HA 1.134 5.259 4.120 0.009 0.000 0.313 328 V C -0.219 175.713 176.094 -0.270 0.000 1.099 328 V CA 0.220 62.476 62.300 -0.073 0.000 0.971 328 V CB 1.239 32.982 31.823 -0.134 0.000 1.028 328 V HN 1.119 nan 8.190 nan 0.000 0.430 329 G N 0.806 109.304 108.800 -0.504 0.000 2.441 329 G HA2 0.750 4.715 3.960 0.009 0.000 0.294 329 G HA3 0.750 4.715 3.960 0.009 0.000 0.294 329 G C -1.213 173.367 174.900 -0.533 0.000 1.393 329 G CA 0.094 44.487 45.100 -1.178 0.000 0.796 329 G HN 2.096 nan 8.290 nan 0.000 0.494 330 V N -2.307 117.407 119.914 -0.334 0.000 3.130 330 V HA 0.924 5.049 4.120 0.009 0.000 0.310 330 V C 0.325 176.595 176.094 0.293 0.000 1.158 330 V CA -0.395 61.940 62.300 0.059 0.000 1.029 330 V CB 1.153 32.998 31.823 0.036 0.000 1.057 330 V HN 1.892 nan 8.190 nan 0.000 0.436 331 V N -0.277 119.833 119.914 0.328 0.000 3.109 331 V HA 0.562 4.688 4.120 0.009 0.000 0.317 331 V C 1.346 177.632 176.094 0.320 0.000 1.074 331 V CA -0.018 62.529 62.300 0.411 0.000 1.033 331 V CB 1.252 33.306 31.823 0.385 0.000 1.111 331 V HN 1.086 nan 8.190 nan 0.000 0.458 332 K N -0.253 120.336 120.400 0.315 0.000 2.211 332 K HA -0.021 4.305 4.320 0.009 0.000 0.203 332 K C 0.181 176.906 176.600 0.209 0.000 1.050 332 K CA 1.568 57.996 56.287 0.235 0.000 0.945 332 K CB 0.106 32.727 32.500 0.201 0.000 0.732 332 K HN 0.908 nan 8.250 nan 0.000 0.451 333 D N 1.185 121.717 120.400 0.220 0.000 2.513 333 D HA 0.034 4.679 4.640 0.009 0.000 0.295 333 D C 0.013 176.445 176.300 0.221 0.000 1.202 333 D CA -0.102 54.016 54.000 0.197 0.000 0.849 333 D CB 1.419 42.317 40.800 0.163 0.000 1.116 333 D HN 0.103 nan 8.370 nan 0.000 0.502 334 E N 0.637 120.974 120.200 0.229 0.000 2.153 334 E HA -0.102 4.253 4.350 0.009 0.000 0.194 334 E C 1.958 178.735 176.600 0.295 0.000 0.988 334 E CA 0.670 57.233 56.400 0.272 0.000 0.811 334 E CB 0.204 30.033 29.700 0.215 0.000 0.746 334 E HN 0.464 nan 8.360 nan 0.000 0.466 335 G N 0.981 109.924 108.800 0.239 0.000 2.539 335 G HA2 -0.160 3.805 3.960 0.009 0.000 0.215 335 G HA3 -0.160 3.805 3.960 0.009 0.000 0.215 335 G C 1.740 176.820 174.900 0.300 0.000 1.141 335 G CA 0.788 46.050 45.100 0.270 0.000 0.806 335 G HN 0.358 nan 8.290 nan 0.000 0.533 336 S N 0.269 116.098 115.700 0.215 0.000 2.359 336 S HA -0.278 4.197 4.470 0.009 0.000 0.224 336 S C 2.114 176.736 174.600 0.037 0.000 1.035 336 S CA 1.426 59.718 58.200 0.153 0.000 1.018 336 S CB -0.891 62.343 63.200 0.056 0.000 0.876 336 S HN 0.432 nan 8.310 nan 0.000 0.448 337 Y N 1.792 121.959 120.300 -0.221 0.000 2.139 337 Y HA -0.230 4.325 4.550 0.009 0.000 0.282 337 Y C 1.813 177.532 175.900 -0.302 0.000 1.179 337 Y CA 2.003 59.811 58.100 -0.487 0.000 1.161 337 Y CB -0.550 37.535 38.460 -0.625 0.000 0.970 337 Y HN 0.289 nan 8.280 nan 0.000 0.511 338 F N -0.757 119.296 119.950 0.172 0.000 2.456 338 F HA -0.114 4.418 4.527 0.008 0.000 0.298 338 F C 1.962 177.815 175.800 0.089 0.000 1.104 338 F CA 0.685 58.773 58.000 0.146 0.000 1.435 338 F CB -0.404 38.623 39.000 0.045 0.000 1.078 338 F HN 0.011 nan 8.300 nan 0.000 0.546 339 L N -0.041 121.260 121.223 0.131 0.000 2.131 339 L HA -0.152 4.193 4.340 0.009 0.000 0.210 339 L C 2.310 179.204 176.870 0.040 0.000 1.092 339 L CA 1.026 55.809 54.840 -0.095 0.000 0.759 339 L CB -0.879 40.897 42.059 -0.471 0.000 0.903 339 L HN 0.168 nan 8.230 nan 0.000 0.435 340 V N -5.257 114.726 119.914 0.114 0.000 3.461 340 V HA -0.141 3.984 4.120 0.009 0.000 0.267 340 V C 1.386 177.399 176.094 -0.136 0.000 1.186 340 V CA 0.711 63.060 62.300 0.082 0.000 1.154 340 V CB -1.112 30.794 31.823 0.138 0.000 0.802 340 V HN 0.298 nan 8.190 nan 0.000 0.474 341 Y N 1.625 121.928 120.300 0.005 0.000 2.532 341 Y HA 0.632 5.187 4.550 0.008 0.000 0.283 341 Y C 1.800 177.680 175.900 -0.034 0.000 1.181 341 Y CA 0.455 58.532 58.100 -0.038 0.000 1.256 341 Y CB 0.755 39.183 38.460 -0.053 0.000 1.112 341 Y HN 0.420 nan 8.280 nan 0.000 0.521 342 G N -1.403 107.455 108.800 0.095 0.000 4.248 342 G HA2 -0.059 3.906 3.960 0.009 0.000 0.218 342 G HA3 -0.059 3.906 3.960 0.009 0.000 0.218 342 G C -0.752 174.192 174.900 0.074 0.000 0.790 342 G CA -0.434 44.706 45.100 0.067 0.000 0.844 342 G HN -0.065 nan 8.290 nan 0.000 0.588 343 V N 3.229 123.202 119.914 0.097 0.000 2.368 343 V HA 0.383 4.508 4.120 0.009 0.000 0.266 343 V C -1.925 174.332 176.094 0.272 0.000 1.045 343 V CA -1.568 60.823 62.300 0.152 0.000 0.899 343 V CB 1.053 32.918 31.823 0.070 0.000 1.006 343 V HN 0.062 nan 8.190 nan 0.000 0.470 344 P HA 0.261 nan 4.420 nan 0.000 0.265 344 P C 1.026 178.411 177.300 0.142 0.000 1.193 344 P CA 1.177 64.356 63.100 0.132 0.000 0.765 344 P CB 0.712 32.456 31.700 0.074 0.000 0.823 345 G N 0.992 109.812 108.800 0.034 0.000 2.253 345 G HA2 -0.192 3.773 3.960 0.009 0.000 0.209 345 G HA3 -0.192 3.773 3.960 0.009 0.000 0.209 345 G C -0.231 174.461 174.900 -0.346 0.000 0.997 345 G CA -0.601 44.389 45.100 -0.183 0.000 0.640 345 G HN 0.394 nan 8.290 nan 0.000 0.496 346 F N 1.597 121.534 119.950 -0.023 0.000 2.421 346 F HA 0.812 5.344 4.527 0.008 0.000 0.337 346 F C 0.602 176.459 175.800 0.095 0.000 1.105 346 F CA -0.130 57.867 58.000 -0.004 0.000 1.049 346 F CB 2.257 41.293 39.000 0.059 0.000 1.139 346 F HN 0.155 nan 8.300 nan 0.000 0.479 347 S N 1.362 117.266 115.700 0.340 0.000 2.550 347 S HA 0.276 4.752 4.470 0.009 0.000 0.270 347 S C 0.256 175.129 174.600 0.456 0.000 1.145 347 S CA -0.859 57.543 58.200 0.336 0.000 0.852 347 S CB 1.433 64.738 63.200 0.174 0.000 1.119 347 S HN 0.774 nan 8.310 nan 0.000 0.465 348 K N 0.998 121.556 120.400 0.263 0.000 2.366 348 K HA 0.128 4.453 4.320 0.009 0.000 0.198 348 K C -0.005 176.583 176.600 -0.020 0.000 1.044 348 K CA 1.100 57.417 56.287 0.051 0.000 0.973 348 K CB -0.070 32.119 32.500 -0.518 0.000 0.767 348 K HN 0.444 nan 8.250 nan 0.000 0.475 349 D N 0.881 121.272 120.400 -0.015 0.000 2.349 349 D HA 0.027 4.673 4.640 0.009 0.000 0.214 349 D C -0.308 176.008 176.300 0.027 0.000 1.063 349 D CA 0.208 54.177 54.000 -0.051 0.000 0.847 349 D CB 0.187 40.938 40.800 -0.083 0.000 0.933 349 D HN 0.489 nan 8.370 nan 0.000 0.513 350 N N -1.116 117.642 118.700 0.097 0.000 3.157 350 N HA 0.094 4.839 4.740 0.009 0.000 0.291 350 N C 0.388 175.952 175.510 0.091 0.000 1.515 350 N CA -0.490 52.596 53.050 0.060 0.000 0.807 350 N CB 0.872 39.350 38.487 -0.016 0.000 1.672 350 N HN -0.444 nan 8.380 nan 0.000 0.592 351 E N -0.428 119.743 120.200 -0.049 0.000 2.482 351 E HA 0.030 4.385 4.350 0.009 0.000 0.196 351 E C -0.323 175.899 176.600 -0.630 0.000 1.047 351 E CA 0.557 56.843 56.400 -0.190 0.000 0.869 351 E CB -0.654 28.983 29.700 -0.106 0.000 0.836 351 E HN 0.606 nan 8.360 nan 0.000 0.520 352 S N 0.090 115.460 115.700 -0.550 0.000 3.581 352 S HA -0.204 4.272 4.470 0.009 0.000 0.354 352 S C 0.436 174.594 174.600 -0.736 0.000 1.059 352 S CA 0.191 57.936 58.200 -0.758 0.000 1.060 352 S CB -2.116 60.404 63.200 -1.133 0.000 0.908 352 S HN 0.305 nan 8.310 nan 0.000 0.475 353 L N 1.456 122.401 121.223 -0.464 0.000 2.462 353 L HA 0.372 4.717 4.340 0.009 0.000 0.272 353 L C 0.718 177.376 176.870 -0.354 0.000 1.166 353 L CA 0.200 54.830 54.840 -0.349 0.000 0.880 353 L CB 0.042 41.968 42.059 -0.221 0.000 1.142 353 L HN 0.478 nan 8.230 nan 0.000 0.473 354 I N -0.062 120.311 120.570 -0.329 0.000 2.957 354 I HA 0.647 4.822 4.170 0.009 0.000 0.310 354 I C 0.324 176.359 176.117 -0.138 0.000 1.063 354 I CA -0.694 60.443 61.300 -0.271 0.000 1.033 354 I CB 2.094 39.892 38.000 -0.337 0.000 1.230 354 I HN 0.552 nan 8.210 nan 0.000 0.447 355 S N 2.404 118.056 115.700 -0.081 0.000 2.632 355 S HA 0.382 4.857 4.470 0.009 0.000 0.267 355 S C 0.991 175.609 174.600 0.030 0.000 1.276 355 S CA -0.395 57.787 58.200 -0.030 0.000 0.998 355 S CB 1.541 64.731 63.200 -0.017 0.000 0.953 355 S HN 0.913 nan 8.310 nan 0.000 0.547 356 R N 0.746 121.268 120.500 0.037 0.000 2.083 356 R HA -0.136 4.209 4.340 0.009 0.000 0.237 356 R C 2.369 178.762 176.300 0.154 0.000 1.137 356 R CA 1.778 57.941 56.100 0.105 0.000 0.951 356 R CB -1.189 29.148 30.300 0.062 0.000 0.851 356 R HN 0.853 nan 8.270 nan 0.000 0.434 357 A N 0.582 123.455 122.820 0.089 0.000 1.908 357 A HA -0.237 4.088 4.320 0.009 0.000 0.218 357 A C 2.060 179.693 177.584 0.082 0.000 1.181 357 A CA 1.707 53.788 52.037 0.074 0.000 0.627 357 A CB -0.549 18.477 19.000 0.044 0.000 0.818 357 A HN 0.555 nan 8.150 nan 0.000 0.445 358 Q N -1.996 117.855 119.800 0.084 0.000 2.224 358 Q HA -0.105 4.240 4.340 0.009 0.000 0.203 358 Q C 1.842 177.951 176.000 0.181 0.000 0.970 358 Q CA 1.357 57.217 55.803 0.095 0.000 0.865 358 Q CB -0.254 28.508 28.738 0.039 0.000 0.922 358 Q HN 0.823 nan 8.270 nan 0.000 0.445 359 F N 1.101 121.076 119.950 0.042 0.000 2.084 359 F HA -0.176 4.356 4.527 0.008 0.000 0.296 359 F C 1.772 177.604 175.800 0.053 0.000 1.111 359 F CA 0.977 59.012 58.000 0.060 0.000 1.224 359 F CB 0.062 39.080 39.000 0.030 0.000 0.991 359 F HN -0.056 nan 8.300 nan 0.000 0.471 360 L N 0.378 121.558 121.223 -0.073 0.000 2.079 360 L HA -0.229 4.116 4.340 0.009 0.000 0.210 360 L C 2.815 179.614 176.870 -0.119 0.000 1.081 360 L CA 1.219 55.960 54.840 -0.165 0.000 0.752 360 L CB -1.543 40.503 42.059 -0.022 0.000 0.896 360 L HN 0.277 nan 8.230 nan 0.000 0.433 361 A N 0.566 123.365 122.820 -0.035 0.000 1.969 361 A HA -0.055 4.271 4.320 0.009 0.000 0.218 361 A C 2.430 180.004 177.584 -0.017 0.000 1.169 361 A CA 1.540 53.570 52.037 -0.011 0.000 0.635 361 A CB -1.049 17.967 19.000 0.026 0.000 0.810 361 A HN 0.438 nan 8.150 nan 0.000 0.445 362 G N -0.626 108.169 108.800 -0.009 0.000 2.408 362 G HA2 -0.067 3.899 3.960 0.009 0.000 0.217 362 G HA3 -0.067 3.899 3.960 0.009 0.000 0.217 362 G C 1.469 176.313 174.900 -0.094 0.000 1.150 362 G CA 1.102 46.203 45.100 0.002 0.000 0.776 362 G HN 0.289 nan 8.290 nan 0.000 0.542 363 V N 1.098 120.880 119.914 -0.220 0.000 2.407 363 V HA -0.146 3.979 4.120 0.009 0.000 0.248 363 V C 2.985 179.009 176.094 -0.117 0.000 1.055 363 V CA 1.635 63.799 62.300 -0.227 0.000 1.049 363 V CB -0.367 31.235 31.823 -0.369 0.000 0.662 363 V HN 0.235 nan 8.190 nan 0.000 0.455 364 R N -0.088 120.359 120.500 -0.088 0.000 2.092 364 R HA 0.019 4.364 4.340 0.009 0.000 0.231 364 R C 2.044 178.323 176.300 -0.034 0.000 1.119 364 R CA 1.386 57.457 56.100 -0.048 0.000 0.970 364 R CB -0.797 29.484 30.300 -0.031 0.000 0.864 364 R HN 0.481 nan 8.270 nan 0.000 0.440 365 I N -0.387 120.165 120.570 -0.031 0.000 2.406 365 I HA -0.057 4.118 4.170 0.009 0.000 0.249 365 I C 2.294 178.396 176.117 -0.024 0.000 1.122 365 I CA 1.334 62.624 61.300 -0.017 0.000 1.431 365 I CB -0.510 37.489 38.000 -0.002 0.000 1.087 365 I HN 0.179 nan 8.210 nan 0.000 0.424 366 G N 0.421 109.197 108.800 -0.040 0.000 2.464 366 G HA2 -0.019 3.947 3.960 0.009 0.000 0.217 366 G HA3 -0.019 3.947 3.960 0.009 0.000 0.217 366 G C 0.851 175.721 174.900 -0.050 0.000 1.138 366 G CA 0.335 45.409 45.100 -0.044 0.000 0.793 366 G HN 0.234 nan 8.290 nan 0.000 0.539 367 V N 2.200 122.071 119.914 -0.072 0.000 2.326 367 V HA 0.212 4.337 4.120 0.009 0.000 0.254 367 V C -1.442 174.628 176.094 -0.040 0.000 1.022 367 V CA -1.089 61.141 62.300 -0.116 0.000 1.074 367 V CB 1.487 33.233 31.823 -0.129 0.000 1.305 367 V HN 0.067 nan 8.190 nan 0.000 0.506 368 P HA -0.186 nan 4.420 nan 0.000 0.220 368 P C 1.370 178.671 177.300 0.002 0.000 1.148 368 P CA 1.117 64.215 63.100 -0.004 0.000 0.803 368 P CB 0.354 32.053 31.700 -0.001 0.000 0.782 369 Q N -0.084 119.725 119.800 0.015 0.000 2.403 369 Q HA 0.121 4.466 4.340 0.009 0.000 0.203 369 Q C 0.563 176.564 176.000 0.002 0.000 0.932 369 Q CA 0.158 55.968 55.803 0.013 0.000 0.945 369 Q CB -0.598 28.158 28.738 0.030 0.000 1.045 369 Q HN 0.036 nan 8.270 nan 0.000 0.511 370 A N 2.200 125.018 122.820 -0.004 0.000 2.454 370 A HA 0.394 4.719 4.320 0.009 0.000 0.260 370 A C 0.520 178.099 177.584 -0.010 0.000 1.106 370 A CA 0.068 52.100 52.037 -0.009 0.000 0.780 370 A CB 0.248 19.242 19.000 -0.010 0.000 1.044 370 A HN 0.527 nan 8.150 nan 0.000 0.498 371 S N 2.083 117.775 115.700 -0.013 0.000 2.606 371 S HA 0.074 4.549 4.470 0.009 0.000 0.257 371 S C 0.404 175.004 174.600 -0.000 0.000 1.327 371 S CA 0.470 58.664 58.200 -0.009 0.000 0.984 371 S CB 0.252 63.442 63.200 -0.015 0.000 0.941 371 S HN 0.629 nan 8.310 nan 0.000 0.576 372 D N 0.023 120.426 120.400 0.005 0.000 2.117 372 D HA -0.053 4.592 4.640 0.009 0.000 0.197 372 D C 1.717 178.033 176.300 0.027 0.000 0.987 372 D CA 0.888 54.896 54.000 0.014 0.000 0.829 372 D CB -0.338 40.471 40.800 0.015 0.000 0.961 372 D HN 0.395 nan 8.370 nan 0.000 0.460 373 L N 0.511 121.750 121.223 0.027 0.000 2.056 373 L HA 0.021 4.366 4.340 0.009 0.000 0.207 373 L C 1.981 178.889 176.870 0.064 0.000 1.078 373 L CA 1.541 56.408 54.840 0.045 0.000 0.749 373 L CB -0.809 41.272 42.059 0.035 0.000 0.901 373 L HN 0.006 nan 8.230 nan 0.000 0.433 374 A N -0.544 122.296 122.820 0.033 0.000 1.930 374 A HA -0.039 4.286 4.320 0.009 0.000 0.217 374 A C 2.425 180.051 177.584 0.068 0.000 1.175 374 A CA 1.598 53.655 52.037 0.032 0.000 0.627 374 A CB -1.065 17.918 19.000 -0.027 0.000 0.815 374 A HN 0.544 nan 8.150 nan 0.000 0.443 375 A N -0.808 122.038 122.820 0.044 0.000 1.969 375 A HA -0.096 4.229 4.320 0.009 0.000 0.218 375 A C 1.989 179.608 177.584 0.059 0.000 1.169 375 A CA 1.589 53.646 52.037 0.034 0.000 0.635 375 A CB -0.342 18.657 19.000 -0.001 0.000 0.810 375 A HN 0.413 nan 8.150 nan 0.000 0.445 376 E N 0.084 120.332 120.200 0.079 0.000 2.072 376 E HA -0.109 4.246 4.350 0.009 0.000 0.191 376 E C 2.387 179.082 176.600 0.158 0.000 0.985 376 E CA 1.164 57.629 56.400 0.110 0.000 0.801 376 E CB -0.523 29.237 29.700 0.099 0.000 0.750 376 E HN 0.521 nan 8.360 nan 0.000 0.452 377 A N 0.858 123.793 122.820 0.192 0.000 1.892 377 A HA -0.190 4.136 4.320 0.009 0.000 0.218 377 A C 2.620 180.330 177.584 0.210 0.000 1.188 377 A CA 1.845 54.043 52.037 0.268 0.000 0.631 377 A CB -0.857 18.419 19.000 0.460 0.000 0.822 377 A HN 0.156 nan 8.150 nan 0.000 0.447 378 V N -0.501 119.556 119.914 0.239 0.000 2.287 378 V HA -0.263 3.862 4.120 0.009 0.000 0.248 378 V C 2.580 178.834 176.094 0.267 0.000 1.053 378 V CA 2.118 64.532 62.300 0.189 0.000 1.027 378 V CB -0.869 31.052 31.823 0.164 0.000 0.646 378 V HN 0.383 nan 8.190 nan 0.000 0.447 379 V N -0.202 119.826 119.914 0.191 0.000 2.295 379 V HA -0.260 3.866 4.120 0.009 0.000 0.246 379 V C 2.294 178.609 176.094 0.369 0.000 1.049 379 V CA 2.104 64.562 62.300 0.264 0.000 1.024 379 V CB -0.531 31.373 31.823 0.135 0.000 0.648 379 V HN 0.455 nan 8.190 nan 0.000 0.447 380 L N -0.716 120.711 121.223 0.341 0.000 2.046 380 L HA -0.223 4.123 4.340 0.009 0.000 0.208 380 L C 2.552 179.646 176.870 0.374 0.000 1.077 380 L CA 2.129 57.252 54.840 0.472 0.000 0.747 380 L CB -0.871 41.386 42.059 0.329 0.000 0.896 380 L HN 0.437 nan 8.230 nan 0.000 0.432 381 H N -0.720 118.370 119.070 0.033 0.000 2.353 381 H HA -0.190 4.370 4.556 0.007 0.000 0.300 381 H C 1.807 177.055 175.328 -0.133 0.000 1.090 381 H CA 1.926 57.845 56.048 -0.215 0.000 1.327 381 H CB 0.019 29.311 29.762 -0.782 0.000 1.383 381 H HN 0.244 nan 8.280 nan 0.000 0.508 382 Y N -0.127 120.258 120.300 0.142 0.000 2.511 382 Y HA 0.121 4.677 4.550 0.010 0.000 0.279 382 Y C 0.827 176.787 175.900 0.100 0.000 1.157 382 Y CA 0.330 58.536 58.100 0.176 0.000 1.300 382 Y CB 0.181 38.851 38.460 0.351 0.000 1.052 382 Y HN 0.040 nan 8.280 nan 0.000 0.529 383 T N 1.306 115.908 114.554 0.081 0.000 2.930 383 T HA -0.057 4.298 4.350 0.009 0.000 0.306 383 T C -0.208 174.216 174.700 -0.459 0.000 1.045 383 T CA -0.177 61.716 62.100 -0.345 0.000 1.134 383 T CB 0.301 68.579 68.868 -0.983 0.000 0.961 383 T HN 0.061 nan 8.240 nan 0.000 0.545 384 D N 1.813 121.919 120.400 -0.490 0.000 2.411 384 D HA 0.117 4.763 4.640 0.009 0.000 0.225 384 D C 0.036 176.052 176.300 -0.474 0.000 1.156 384 D CA -0.743 52.941 54.000 -0.526 0.000 0.874 384 D CB 0.331 40.654 40.800 -0.795 0.000 1.034 384 D HN 0.595 nan 8.370 nan 0.000 0.502 385 W N 3.204 124.415 121.300 -0.148 0.000 2.825 385 W HA 0.069 4.733 4.660 0.007 0.000 0.243 385 W C 1.956 178.368 176.519 -0.179 0.000 1.293 385 W CA -0.226 57.044 57.345 -0.125 0.000 1.403 385 W CB 0.025 29.427 29.460 -0.097 0.000 1.134 385 W HN 0.415 nan 8.180 nan 0.000 0.666 386 L N -1.050 120.078 121.223 -0.159 0.000 2.179 386 L HA -0.066 4.279 4.340 0.009 0.000 0.208 386 L C 0.122 176.609 176.870 -0.638 0.000 1.096 386 L CA 1.162 55.745 54.840 -0.429 0.000 0.779 386 L CB -0.278 41.401 42.059 -0.633 0.000 0.922 386 L HN 0.059 nan 8.230 nan 0.000 0.443 387 H N -1.965 117.035 119.070 -0.117 0.000 2.514 387 H HA 0.158 4.719 4.556 0.008 0.000 0.226 387 H C -1.935 173.295 175.328 -0.164 0.000 1.421 387 H CA -1.305 54.675 56.048 -0.115 0.000 1.394 387 H CB 0.183 29.879 29.762 -0.109 0.000 1.701 387 H HN -0.052 nan 8.280 nan 0.000 0.515 388 P HA -0.137 nan 4.420 nan 0.000 0.225 388 P C 0.575 177.791 177.300 -0.140 0.000 1.148 388 P CA 1.116 64.076 63.100 -0.235 0.000 0.779 388 P CB 0.628 32.177 31.700 -0.252 0.000 0.780 389 E N -0.418 119.747 120.200 -0.057 0.000 2.498 389 E HA 0.035 4.390 4.350 0.009 0.000 0.203 389 E C -0.033 176.543 176.600 -0.040 0.000 1.013 389 E CA -0.151 56.224 56.400 -0.042 0.000 0.927 389 E CB -0.055 29.636 29.700 -0.015 0.000 1.012 389 E HN 0.290 nan 8.360 nan 0.000 0.482 390 D N 2.604 122.989 120.400 -0.025 0.000 2.412 390 D HA -0.012 4.633 4.640 0.009 0.000 0.257 390 D C -1.624 174.644 176.300 -0.055 0.000 1.217 390 D CA -1.471 52.509 54.000 -0.032 0.000 0.897 390 D CB 1.238 42.024 40.800 -0.024 0.000 1.132 390 D HN -0.171 nan 8.370 nan 0.000 0.493 391 P HA -0.096 nan 4.420 nan 0.000 0.221 391 P C 1.086 178.311 177.300 -0.126 0.000 1.150 391 P CA 0.822 63.853 63.100 -0.115 0.000 0.800 391 P CB 0.239 31.867 31.700 -0.120 0.000 0.787 392 T N -1.596 112.905 114.554 -0.088 0.000 2.737 392 T HA -0.189 4.166 4.350 0.009 0.000 0.265 392 T C 1.744 176.415 174.700 -0.048 0.000 1.038 392 T CA 1.635 63.695 62.100 -0.068 0.000 1.144 392 T CB -1.046 67.801 68.868 -0.036 0.000 0.866 392 T HN 0.245 nan 8.240 nan 0.000 0.434 393 H N 0.935 119.945 119.070 -0.099 0.000 2.387 393 H HA 0.085 4.646 4.556 0.008 0.000 0.299 393 H C 1.977 177.204 175.328 -0.168 0.000 1.090 393 H CA 1.243 57.230 56.048 -0.102 0.000 1.332 393 H CB -0.505 29.195 29.762 -0.103 0.000 1.386 393 H HN 0.239 nan 8.280 nan 0.000 0.516 394 L N -0.162 120.878 121.223 -0.306 0.000 2.093 394 L HA -0.141 4.204 4.340 0.009 0.000 0.208 394 L C 2.859 179.561 176.870 -0.280 0.000 1.085 394 L CA 1.503 56.055 54.840 -0.480 0.000 0.755 394 L CB -0.432 41.419 42.059 -0.348 0.000 0.904 394 L HN 0.272 nan 8.230 nan 0.000 0.435 395 R N 0.323 120.731 120.500 -0.153 0.000 2.073 395 R HA -0.191 4.155 4.340 0.009 0.000 0.234 395 R C 1.779 178.124 176.300 0.075 0.000 1.134 395 R CA 2.107 58.207 56.100 0.000 0.000 0.952 395 R CB -0.196 30.007 30.300 -0.162 0.000 0.850 395 R HN 0.322 nan 8.270 nan 0.000 0.433 396 D N 0.126 120.503 120.400 -0.038 0.000 2.183 396 D HA -0.072 4.573 4.640 0.009 0.000 0.203 396 D C 1.684 177.968 176.300 -0.027 0.000 0.969 396 D CA 1.286 55.297 54.000 0.019 0.000 0.842 396 D CB -0.154 40.658 40.800 0.020 0.000 0.957 396 D HN 0.393 nan 8.370 nan 0.000 0.484 397 A N 0.737 123.415 122.820 -0.238 0.000 1.898 397 A HA -0.144 4.182 4.320 0.009 0.000 0.216 397 A C 2.144 179.780 177.584 0.085 0.000 1.181 397 A CA 1.410 53.379 52.037 -0.113 0.000 0.620 397 A CB -0.482 18.291 19.000 -0.379 0.000 0.819 397 A HN 0.142 nan 8.150 nan 0.000 0.442 398 M N 0.006 119.714 119.600 0.180 0.000 2.108 398 M HA -0.120 4.365 4.480 0.009 0.000 0.261 398 M C 2.274 178.617 176.300 0.071 0.000 1.066 398 M CA 2.169 57.626 55.300 0.261 0.000 1.107 398 M CB -0.530 32.286 32.600 0.360 0.000 1.356 398 M HN 0.395 nan 8.290 nan 0.000 0.406 399 S N -0.516 115.242 115.700 0.095 0.000 2.368 399 S HA -0.064 4.411 4.470 0.009 0.000 0.225 399 S C 1.999 176.659 174.600 0.100 0.000 1.030 399 S CA 1.424 59.691 58.200 0.112 0.000 0.999 399 S CB -0.510 62.817 63.200 0.212 0.000 0.844 399 S HN 0.635 nan 8.310 nan 0.000 0.459 400 A N 0.672 123.560 122.820 0.115 0.000 1.968 400 A HA 0.077 4.402 4.320 0.009 0.000 0.217 400 A C 2.303 179.924 177.584 0.060 0.000 1.169 400 A CA 1.411 53.549 52.037 0.168 0.000 0.638 400 A CB -0.909 18.289 19.000 0.330 0.000 0.812 400 A HN 0.431 nan 8.150 nan 0.000 0.446 401 V N -0.233 119.570 119.914 -0.186 0.000 2.255 401 V HA -0.271 3.854 4.120 0.009 0.000 0.247 401 V C 2.596 178.595 176.094 -0.158 0.000 1.051 401 V CA 2.282 64.397 62.300 -0.309 0.000 1.018 401 V CB -0.788 30.850 31.823 -0.308 0.000 0.641 401 V HN 0.386 nan 8.190 nan 0.000 0.445 402 V N 0.613 120.464 119.914 -0.106 0.000 2.358 402 V HA -0.152 3.974 4.120 0.009 0.000 0.246 402 V C 2.591 178.575 176.094 -0.183 0.000 1.047 402 V CA 2.106 64.334 62.300 -0.121 0.000 1.035 402 V CB -1.385 30.423 31.823 -0.025 0.000 0.658 402 V HN 0.619 nan 8.190 nan 0.000 0.452 403 G N -0.237 108.523 108.800 -0.067 0.000 2.404 403 G HA2 -0.224 3.741 3.960 0.009 0.000 0.215 403 G HA3 -0.224 3.741 3.960 0.009 0.000 0.215 403 G C 1.230 176.054 174.900 -0.126 0.000 1.174 403 G CA 0.996 46.069 45.100 -0.045 0.000 0.780 403 G HN 0.503 nan 8.290 nan 0.000 0.537 404 D N -0.303 120.033 120.400 -0.107 0.000 2.117 404 D HA -0.069 4.576 4.640 0.009 0.000 0.198 404 D C 2.084 178.054 176.300 -0.551 0.000 0.982 404 D CA 1.169 55.069 54.000 -0.167 0.000 0.828 404 D CB -0.415 40.454 40.800 0.115 0.000 0.967 404 D HN 0.418 nan 8.370 nan 0.000 0.464 405 H N 0.724 119.224 119.070 -0.950 0.000 2.389 405 H HA 0.049 4.610 4.556 0.008 0.000 0.299 405 H C 1.441 176.359 175.328 -0.683 0.000 1.081 405 H CA 1.542 56.840 56.048 -1.249 0.000 1.345 405 H CB 0.150 29.144 29.762 -1.279 0.000 1.393 405 H HN -0.017 nan 8.280 nan 0.000 0.520 406 N N -0.922 117.328 118.700 -0.750 0.000 2.415 406 N HA 0.025 4.770 4.740 0.009 0.000 0.174 406 N C 1.164 176.450 175.510 -0.372 0.000 1.048 406 N CA 1.015 53.583 53.050 -0.804 0.000 0.895 406 N CB 1.175 38.608 38.487 -1.756 0.000 1.036 406 N HN 0.260 nan 8.380 nan 0.000 0.449 407 V N -0.328 119.411 119.914 -0.292 0.000 3.278 407 V HA 0.066 4.191 4.120 0.009 0.000 0.215 407 V C 2.188 178.238 176.094 -0.073 0.000 1.287 407 V CA 0.209 62.469 62.300 -0.067 0.000 1.302 407 V CB -0.163 31.688 31.823 0.047 0.000 1.228 407 V HN -0.180 nan 8.190 nan 0.000 0.523 408 V N 0.264 120.132 119.914 -0.076 0.000 2.255 408 V HA -0.306 3.820 4.120 0.009 0.000 0.247 408 V C 2.504 178.558 176.094 -0.067 0.000 1.051 408 V CA 2.663 64.933 62.300 -0.050 0.000 1.018 408 V CB -0.831 30.992 31.823 -0.000 0.000 0.641 408 V HN 0.678 nan 8.190 nan 0.000 0.445 409 c N -0.592 117.956 118.600 -0.087 0.000 2.457 409 c HA 0.028 4.603 4.570 0.009 0.000 0.278 409 c C 0.580 174.631 174.090 -0.065 0.000 1.309 409 c CA 0.679 56.986 56.329 -0.036 0.000 1.735 409 c CB -1.834 40.696 42.510 0.034 0.000 1.992 409 c HN 0.449 nan 8.230 nan 0.000 0.493 410 P HA -0.110 nan 4.420 nan 0.000 0.216 410 P C 1.776 179.010 177.300 -0.110 0.000 1.157 410 P CA 1.528 64.549 63.100 -0.132 0.000 0.880 410 P CB -0.159 31.435 31.700 -0.176 0.000 0.791 411 V N -0.173 119.679 119.914 -0.104 0.000 2.358 411 V HA -0.242 3.883 4.120 0.009 0.000 0.246 411 V C 2.447 178.446 176.094 -0.159 0.000 1.047 411 V CA 2.171 64.396 62.300 -0.125 0.000 1.035 411 V CB -1.700 30.049 31.823 -0.123 0.000 0.658 411 V HN 0.099 nan 8.190 nan 0.000 0.452 412 A N -0.453 122.288 122.820 -0.132 0.000 1.883 412 A HA -0.360 3.965 4.320 0.009 0.000 0.217 412 A C 2.217 179.757 177.584 -0.073 0.000 1.186 412 A CA 2.468 54.432 52.037 -0.121 0.000 0.624 412 A CB -0.634 18.344 19.000 -0.036 0.000 0.822 412 A HN 0.611 nan 8.150 nan 0.000 0.444 413 Q N -0.882 118.893 119.800 -0.042 0.000 2.030 413 Q HA -0.206 4.140 4.340 0.009 0.000 0.204 413 Q C 1.955 177.928 176.000 -0.045 0.000 0.986 413 Q CA 2.012 57.803 55.803 -0.021 0.000 0.843 413 Q CB -0.395 28.329 28.738 -0.023 0.000 0.904 413 Q HN 0.516 nan 8.270 nan 0.000 0.420 414 L N 0.444 121.614 121.223 -0.088 0.000 1.990 414 L HA -0.190 4.155 4.340 0.009 0.000 0.213 414 L C 2.264 179.062 176.870 -0.119 0.000 1.072 414 L CA 2.477 57.251 54.840 -0.111 0.000 0.755 414 L CB -1.069 40.910 42.059 -0.133 0.000 0.889 414 L HN 0.346 nan 8.230 nan 0.000 0.432 415 A N -0.777 121.938 122.820 -0.175 0.000 1.908 415 A HA -0.117 4.209 4.320 0.009 0.000 0.218 415 A C 2.334 179.920 177.584 0.004 0.000 1.181 415 A CA 1.721 53.617 52.037 -0.235 0.000 0.627 415 A CB -1.599 17.003 19.000 -0.663 0.000 0.818 415 A HN 0.566 nan 8.150 nan 0.000 0.445 416 G N -0.749 108.105 108.800 0.091 0.000 2.402 416 G HA2 -0.187 3.779 3.960 0.009 0.000 0.216 416 G HA3 -0.187 3.779 3.960 0.009 0.000 0.216 416 G C 1.673 176.645 174.900 0.120 0.000 1.162 416 G CA 0.737 45.962 45.100 0.209 0.000 0.777 416 G HN 0.405 nan 8.290 nan 0.000 0.539 417 R N 0.247 120.784 120.500 0.063 0.000 2.073 417 R HA 0.143 4.488 4.340 0.009 0.000 0.229 417 R C 2.640 178.991 176.300 0.085 0.000 1.120 417 R CA 0.464 56.606 56.100 0.070 0.000 0.967 417 R CB -1.117 29.213 30.300 0.050 0.000 0.862 417 R HN 0.396 nan 8.270 nan 0.000 0.436 418 L N 0.263 121.484 121.223 -0.003 0.000 2.056 418 L HA -0.072 4.273 4.340 0.009 0.000 0.207 418 L C 2.575 179.492 176.870 0.078 0.000 1.078 418 L CA 1.374 56.185 54.840 -0.048 0.000 0.749 418 L CB -0.673 41.260 42.059 -0.210 0.000 0.901 418 L HN 0.133 nan 8.230 nan 0.000 0.433 419 A N 0.029 122.906 122.820 0.095 0.000 1.930 419 A HA -0.068 4.257 4.320 0.009 0.000 0.217 419 A C 2.465 180.107 177.584 0.097 0.000 1.175 419 A CA 1.457 53.561 52.037 0.113 0.000 0.627 419 A CB -0.554 18.553 19.000 0.179 0.000 0.815 419 A HN 0.383 nan 8.150 nan 0.000 0.443 420 A N -1.285 121.597 122.820 0.103 0.000 2.119 420 A HA -0.034 4.291 4.320 0.009 0.000 0.217 420 A C 1.706 179.346 177.584 0.092 0.000 1.153 420 A CA 1.371 53.458 52.037 0.084 0.000 0.692 420 A CB -0.205 18.843 19.000 0.080 0.000 0.799 420 A HN 0.578 nan 8.150 nan 0.000 0.458 421 Q N -1.912 117.971 119.800 0.139 0.000 2.165 421 Q HA 0.399 4.744 4.340 0.009 0.000 0.245 421 Q C 0.772 176.874 176.000 0.169 0.000 0.841 421 Q CA 0.411 56.308 55.803 0.157 0.000 1.078 421 Q CB 0.753 29.629 28.738 0.231 0.000 1.169 421 Q HN 0.721 nan 8.270 nan 0.000 0.475 422 G N -0.240 108.638 108.800 0.129 0.000 2.238 422 G HA2 -0.245 3.721 3.960 0.009 0.000 0.217 422 G HA3 -0.245 3.721 3.960 0.009 0.000 0.217 422 G C 0.346 175.312 174.900 0.111 0.000 0.996 422 G CA -0.281 44.881 45.100 0.104 0.000 0.632 422 G HN 0.524 nan 8.290 nan 0.000 0.503 423 A N 0.227 123.132 122.820 0.141 0.000 2.445 423 A HA 0.677 5.002 4.320 0.009 0.000 0.242 423 A C 0.635 178.251 177.584 0.053 0.000 1.075 423 A CA 0.662 52.762 52.037 0.105 0.000 0.777 423 A CB 0.253 19.295 19.000 0.070 0.000 1.013 423 A HN 0.717 nan 8.150 nan 0.000 0.493 424 R N 1.570 122.096 120.500 0.044 0.000 2.202 424 R HA 0.488 4.834 4.340 0.009 0.000 0.334 424 R C -1.390 174.883 176.300 -0.044 0.000 1.036 424 R CA -0.098 55.989 56.100 -0.022 0.000 0.878 424 R CB 0.427 30.738 30.300 0.019 0.000 1.067 424 R HN 0.480 nan 8.270 nan 0.000 0.457 425 V N 5.736 125.560 119.914 -0.149 0.000 2.540 425 V HA 0.381 4.506 4.120 0.009 0.000 0.302 425 V C -1.061 174.873 176.094 -0.267 0.000 1.035 425 V CA -0.818 61.419 62.300 -0.104 0.000 0.873 425 V CB 1.506 33.334 31.823 0.008 0.000 0.992 425 V HN 0.644 nan 8.190 nan 0.000 0.428 426 Y N 2.395 122.660 120.300 -0.058 0.000 2.341 426 Y HA 0.775 5.329 4.550 0.007 0.000 0.338 426 Y C 0.375 176.378 175.900 0.172 0.000 0.965 426 Y CA -0.503 57.568 58.100 -0.048 0.000 1.108 426 Y CB 2.110 40.168 38.460 -0.669 0.000 1.180 426 Y HN 0.761 nan 8.280 nan 0.000 0.458 427 A N 3.543 126.746 122.820 0.638 0.000 2.374 427 A HA 0.852 5.178 4.320 0.009 0.000 0.317 427 A C -1.730 176.242 177.584 0.647 0.000 1.094 427 A CA -0.680 51.611 52.037 0.424 0.000 0.765 427 A CB 0.854 19.914 19.000 0.100 0.000 1.268 427 A HN 0.749 nan 8.150 nan 0.000 0.438 428 Y N -0.438 120.108 120.300 0.411 0.000 2.581 428 Y HA 0.789 5.343 4.550 0.007 0.000 0.345 428 Y C -1.096 174.991 175.900 0.312 0.000 1.036 428 Y CA -1.618 56.673 58.100 0.317 0.000 1.042 428 Y CB 1.411 40.051 38.460 0.299 0.000 1.289 428 Y HN 0.657 nan 8.280 nan 0.000 0.471 429 I N 3.524 124.401 120.570 0.512 0.000 2.418 429 I HA 0.416 4.591 4.170 0.009 0.000 0.287 429 I C -1.734 174.717 176.117 0.556 0.000 1.008 429 I CA -1.001 60.572 61.300 0.454 0.000 1.104 429 I CB 0.882 39.092 38.000 0.349 0.000 1.264 429 I HN 0.749 nan 8.210 nan 0.000 0.438 430 F N 7.550 127.804 119.950 0.507 0.000 2.424 430 F HA 0.352 4.884 4.527 0.009 0.000 0.356 430 F C 0.567 176.530 175.800 0.272 0.000 1.110 430 F CA 0.136 58.368 58.000 0.386 0.000 1.161 430 F CB 0.750 40.001 39.000 0.419 0.000 1.115 430 F HN 0.532 nan 8.300 nan 0.000 0.507 431 E N 3.334 123.451 120.200 -0.138 0.000 2.660 431 E HA -0.012 4.343 4.350 0.009 0.000 0.216 431 E C -0.833 175.672 176.600 -0.158 0.000 0.986 431 E CA -0.199 56.175 56.400 -0.044 0.000 1.037 431 E CB 0.251 29.945 29.700 -0.009 0.000 1.041 431 E HN 0.523 nan 8.360 nan 0.000 0.480 432 H N 1.871 120.608 119.070 -0.556 0.000 2.552 432 H HA 0.211 4.772 4.556 0.008 0.000 0.311 432 H C -0.284 175.029 175.328 -0.026 0.000 1.071 432 H CA -0.609 55.191 56.048 -0.413 0.000 1.307 432 H CB 0.537 29.845 29.762 -0.758 0.000 1.416 432 H HN -0.105 nan 8.280 nan 0.000 0.464 433 R N 4.341 124.540 120.500 -0.502 0.000 2.267 433 R HA 0.465 4.810 4.340 0.009 0.000 0.319 433 R C -0.580 175.452 176.300 -0.448 0.000 1.067 433 R CA -0.506 55.432 56.100 -0.269 0.000 0.936 433 R CB 0.322 30.548 30.300 -0.123 0.000 1.006 433 R HN 0.762 nan 8.270 nan 0.000 0.452 434 A N 3.274 126.127 122.820 0.055 0.000 2.540 434 A HA 0.017 4.342 4.320 0.009 0.000 0.239 434 A C 1.293 178.966 177.584 0.148 0.000 1.061 434 A CA 0.433 52.683 52.037 0.355 0.000 0.758 434 A CB 0.330 19.672 19.000 0.570 0.000 0.991 434 A HN 1.022 nan 8.150 nan 0.000 0.502 435 S N 1.080 116.904 115.700 0.208 0.000 2.474 435 S HA -0.117 4.358 4.470 0.009 0.000 0.235 435 S C 1.202 175.792 174.600 -0.017 0.000 0.997 435 S CA 1.421 59.672 58.200 0.085 0.000 0.949 435 S CB -0.618 62.656 63.200 0.125 0.000 0.766 435 S HN 1.223 nan 8.310 nan 0.000 0.517 436 T N -0.841 113.665 114.554 -0.081 0.000 3.105 436 T HA 0.403 4.758 4.350 0.009 0.000 0.253 436 T C 0.227 174.857 174.700 -0.118 0.000 1.047 436 T CA -0.621 61.374 62.100 -0.176 0.000 0.944 436 T CB -0.390 68.240 68.868 -0.396 0.000 1.016 436 T HN 0.218 nan 8.240 nan 0.000 0.544 437 L N 4.022 125.216 121.223 -0.048 0.000 2.499 437 L HA 0.256 4.602 4.340 0.009 0.000 0.273 437 L C 1.608 178.427 176.870 -0.085 0.000 1.195 437 L CA 0.858 55.665 54.840 -0.056 0.000 0.882 437 L CB 0.834 42.870 42.059 -0.040 0.000 1.133 437 L HN 0.459 nan 8.230 nan 0.000 0.483 438 T N -0.542 113.920 114.554 -0.153 0.000 3.014 438 T HA 0.092 4.447 4.350 0.009 0.000 0.250 438 T C 0.432 175.114 174.700 -0.030 0.000 1.060 438 T CA -0.466 61.542 62.100 -0.153 0.000 1.040 438 T CB -0.311 68.354 68.868 -0.338 0.000 0.971 438 T HN 0.399 nan 8.240 nan 0.000 0.497 439 W N 3.648 124.958 121.300 0.017 0.000 2.148 439 W HA 0.365 5.031 4.660 0.010 0.000 0.347 439 W C -1.913 174.510 176.519 -0.161 0.000 1.288 439 W CA -1.999 55.325 57.345 -0.036 0.000 1.252 439 W CB 0.082 29.442 29.460 -0.167 0.000 1.156 439 W HN 0.026 nan 8.180 nan 0.000 0.580 440 P HA 0.019 nan 4.420 nan 0.000 0.272 440 P C 0.419 177.634 177.300 -0.142 0.000 1.240 440 P CA 0.013 63.063 63.100 -0.083 0.000 0.791 440 P CB 0.816 32.454 31.700 -0.103 0.000 0.978 441 L N -0.032 121.175 121.223 -0.025 0.000 2.191 441 L HA -0.108 4.238 4.340 0.009 0.000 0.212 441 L C 2.613 179.513 176.870 0.049 0.000 1.103 441 L CA 1.237 56.085 54.840 0.014 0.000 0.769 441 L CB -0.980 41.116 42.059 0.061 0.000 0.908 441 L HN 0.593 nan 8.230 nan 0.000 0.438 442 W N -0.304 121.036 121.300 0.067 0.000 2.392 442 W HA -0.167 4.498 4.660 0.008 0.000 0.279 442 W C 1.726 178.297 176.519 0.087 0.000 1.225 442 W CA 0.563 57.951 57.345 0.072 0.000 1.233 442 W CB -0.797 28.706 29.460 0.071 0.000 1.122 442 W HN 0.171 nan 8.180 nan 0.000 0.561 443 M N 1.544 120.827 119.600 -0.528 0.000 2.630 443 M HA 0.084 4.569 4.480 0.009 0.000 0.254 443 M C 1.857 178.085 176.300 -0.119 0.000 1.092 443 M CA 1.468 56.478 55.300 -0.485 0.000 1.087 443 M CB -0.791 31.359 32.600 -0.750 0.000 1.453 443 M HN 0.227 nan 8.290 nan 0.000 0.509 444 G N 0.638 109.422 108.800 -0.027 0.000 2.629 444 G HA2 -0.307 3.658 3.960 0.009 0.000 0.313 444 G HA3 -0.307 3.658 3.960 0.009 0.000 0.313 444 G C -0.043 174.878 174.900 0.035 0.000 1.217 444 G CA 0.042 45.165 45.100 0.039 0.000 0.994 444 G HN 0.261 nan 8.290 nan 0.000 0.549 445 V N 3.779 123.754 119.914 0.101 0.000 2.259 445 V HA 0.459 4.584 4.120 0.009 0.000 0.267 445 V C -1.858 174.365 176.094 0.214 0.000 1.051 445 V CA -0.813 61.592 62.300 0.176 0.000 0.830 445 V CB 1.119 33.096 31.823 0.256 0.000 1.080 445 V HN 0.516 nan 8.190 nan 0.000 0.467 446 P HA 0.193 nan 4.420 nan 0.000 0.276 446 P C -0.214 177.296 177.300 0.350 0.000 1.244 446 P CA -0.524 62.692 63.100 0.193 0.000 0.801 446 P CB 0.392 32.093 31.700 0.003 0.000 1.006 447 H N 0.909 120.057 119.070 0.130 0.000 3.167 447 H HA 0.204 4.765 4.556 0.008 0.000 0.306 447 H C 1.558 176.813 175.328 -0.121 0.000 0.965 447 H CA 2.425 58.484 56.048 0.017 0.000 1.408 447 H CB -0.677 29.067 29.762 -0.030 0.000 1.406 447 H HN 0.768 nan 8.280 nan 0.000 0.576 448 G N 3.408 111.968 108.800 -0.401 0.000 2.213 448 G HA2 -0.305 3.661 3.960 0.009 0.000 0.236 448 G HA3 -0.305 3.661 3.960 0.009 0.000 0.236 448 G C 0.530 175.280 174.900 -0.249 0.000 0.991 448 G CA 0.336 45.140 45.100 -0.493 0.000 0.629 448 G HN 0.639 nan 8.290 nan 0.000 0.517 449 Y N 1.390 121.763 120.300 0.122 0.000 2.493 449 Y HA 0.271 4.826 4.550 0.008 0.000 0.275 449 Y C 2.244 178.255 175.900 0.186 0.000 1.183 449 Y CA 0.788 59.032 58.100 0.239 0.000 1.258 449 Y CB 0.498 39.142 38.460 0.306 0.000 1.108 449 Y HN 0.474 nan 8.280 nan 0.000 0.521 450 E N 0.234 120.384 120.200 -0.084 0.000 2.340 450 E HA -0.046 4.310 4.350 0.009 0.000 0.194 450 E C 1.598 178.100 176.600 -0.164 0.000 0.996 450 E CA 0.613 56.661 56.400 -0.586 0.000 0.869 450 E CB -0.360 28.556 29.700 -1.308 0.000 0.835 450 E HN 0.525 nan 8.360 nan 0.000 0.493 451 I N 1.679 122.235 120.570 -0.023 0.000 2.118 451 I HA -0.302 3.874 4.170 0.009 0.000 0.241 451 I C 2.629 178.759 176.117 0.021 0.000 1.070 451 I CA 1.844 63.183 61.300 0.065 0.000 1.327 451 I CB -0.490 37.617 38.000 0.178 0.000 1.034 451 I HN 0.128 nan 8.210 nan 0.000 0.405 452 E N 0.414 120.566 120.200 -0.081 0.000 2.217 452 E HA -0.298 4.057 4.350 0.009 0.000 0.219 452 E C 1.994 178.360 176.600 -0.389 0.000 1.070 452 E CA 2.378 58.625 56.400 -0.255 0.000 0.889 452 E CB -0.184 29.352 29.700 -0.273 0.000 0.768 452 E HN 0.434 nan 8.360 nan 0.000 0.465 453 F N -0.495 119.361 119.950 -0.157 0.000 2.270 453 F HA -0.051 4.483 4.527 0.011 0.000 0.295 453 F C 2.117 177.700 175.800 -0.362 0.000 1.087 453 F CA 0.309 58.157 58.000 -0.253 0.000 1.365 453 F CB -0.074 38.850 39.000 -0.127 0.000 1.056 453 F HN 0.063 nan 8.300 nan 0.000 0.506 454 I N -0.912 119.517 120.570 -0.235 0.000 2.361 454 I HA -0.277 3.898 4.170 0.009 0.000 0.251 454 I C 1.947 177.830 176.117 -0.390 0.000 1.133 454 I CA 1.733 62.732 61.300 -0.503 0.000 1.413 454 I CB -1.281 36.313 38.000 -0.676 0.000 1.073 454 I HN 0.109 nan 8.210 nan 0.000 0.424 455 F N 0.823 120.595 119.950 -0.297 0.000 2.789 455 F HA 0.236 4.768 4.527 0.009 0.000 0.300 455 F C 1.895 177.552 175.800 -0.238 0.000 1.132 455 F CA 0.792 58.657 58.000 -0.225 0.000 1.404 455 F CB -0.071 38.783 39.000 -0.244 0.000 1.114 455 F HN 0.271 nan 8.300 nan 0.000 0.584 456 G N 0.028 108.669 108.800 -0.264 0.000 2.136 456 G HA2 -0.304 3.661 3.960 0.009 0.000 0.242 456 G HA3 -0.304 3.661 3.960 0.009 0.000 0.242 456 G C 1.021 175.307 174.900 -1.023 0.000 0.989 456 G CA 0.353 45.162 45.100 -0.486 0.000 0.682 456 G HN 0.285 nan 8.290 nan 0.000 0.522 457 L N 0.610 121.273 121.223 -0.933 0.000 2.089 457 L HA -0.021 4.324 4.340 0.009 0.000 0.213 457 L C 0.368 176.706 176.870 -0.887 0.000 1.079 457 L CA 2.875 57.131 54.840 -0.973 0.000 0.758 457 L CB -0.977 40.760 42.059 -0.536 0.000 0.891 457 L HN 0.249 nan 8.230 nan 0.000 0.433 458 P HA -0.116 nan 4.420 nan 0.000 0.231 458 P C 1.499 178.553 177.300 -0.410 0.000 1.158 458 P CA 0.764 63.287 63.100 -0.961 0.000 0.763 458 P CB 0.077 31.179 31.700 -0.997 0.000 0.805 459 L N -1.136 119.808 121.223 -0.465 0.000 2.395 459 L HA 0.013 4.358 4.340 0.009 0.000 0.218 459 L C 0.920 177.714 176.870 -0.127 0.000 1.130 459 L CA 1.065 55.754 54.840 -0.252 0.000 0.826 459 L CB -1.044 40.881 42.059 -0.224 0.000 0.941 459 L HN -0.056 nan 8.230 nan 0.000 0.451 460 D N -0.020 120.273 120.400 -0.177 0.000 2.336 460 D HA 0.078 4.724 4.640 0.009 0.000 0.249 460 D C -1.674 174.642 176.300 0.027 0.000 1.213 460 D CA -1.978 52.034 54.000 0.019 0.000 0.870 460 D CB 1.561 42.409 40.800 0.079 0.000 1.076 460 D HN -0.020 nan 8.370 nan 0.000 0.483 461 P HA -0.095 nan 4.420 nan 0.000 0.223 461 P C 1.157 178.477 177.300 0.033 0.000 1.151 461 P CA 0.699 63.821 63.100 0.036 0.000 0.787 461 P CB 0.104 31.821 31.700 0.029 0.000 0.788 462 S N -1.157 114.561 115.700 0.030 0.000 2.603 462 S HA 0.009 4.484 4.470 0.009 0.000 0.229 462 S C 1.485 176.085 174.600 0.000 0.000 0.972 462 S CA 0.449 58.656 58.200 0.012 0.000 0.935 462 S CB -1.251 61.956 63.200 0.011 0.000 0.769 462 S HN 0.098 nan 8.310 nan 0.000 0.536 463 L N 0.391 121.630 121.223 0.027 0.000 2.585 463 L HA 0.284 4.629 4.340 0.009 0.000 0.226 463 L C 0.376 177.185 176.870 -0.102 0.000 1.113 463 L CA -0.104 54.736 54.840 -0.001 0.000 0.876 463 L CB -0.469 41.666 42.059 0.127 0.000 1.072 463 L HN 0.222 nan 8.230 nan 0.000 0.468 464 N N -1.821 116.858 118.700 -0.035 0.000 2.850 464 N HA -0.218 4.527 4.740 0.009 0.000 0.249 464 N C -0.337 175.114 175.510 -0.099 0.000 1.060 464 N CA 0.812 53.816 53.050 -0.077 0.000 0.825 464 N CB -1.725 36.687 38.487 -0.124 0.000 1.132 464 N HN 0.279 nan 8.380 nan 0.000 0.564 465 Y N 1.185 121.473 120.300 -0.020 0.000 2.426 465 Y HA 0.145 4.700 4.550 0.009 0.000 0.344 465 Y C 1.994 177.920 175.900 0.042 0.000 1.256 465 Y CA 0.389 58.504 58.100 0.025 0.000 1.451 465 Y CB 0.365 38.833 38.460 0.013 0.000 1.342 465 Y HN 0.073 nan 8.280 nan 0.000 0.600 466 T N -2.644 112.061 114.554 0.252 0.000 2.813 466 T HA 0.034 4.389 4.350 0.009 0.000 0.297 466 T C 1.154 175.939 174.700 0.141 0.000 1.036 466 T CA -0.294 61.901 62.100 0.158 0.000 1.044 466 T CB 0.865 69.818 68.868 0.141 0.000 0.993 466 T HN 0.735 nan 8.240 nan 0.000 0.535 467 T N 1.416 116.022 114.554 0.087 0.000 2.699 467 T HA -0.119 4.236 4.350 0.009 0.000 0.268 467 T C 1.800 176.538 174.700 0.062 0.000 1.036 467 T CA 1.947 64.084 62.100 0.062 0.000 1.147 467 T CB -0.445 68.447 68.868 0.039 0.000 0.862 467 T HN 0.749 nan 8.240 nan 0.000 0.446 468 E N 1.105 121.340 120.200 0.058 0.000 2.077 468 E HA -0.087 4.268 4.350 0.009 0.000 0.193 468 E C 2.240 178.885 176.600 0.075 0.000 0.989 468 E CA 1.005 57.425 56.400 0.033 0.000 0.800 468 E CB -0.227 29.464 29.700 -0.014 0.000 0.746 468 E HN 0.571 nan 8.360 nan 0.000 0.452 469 E N 0.173 120.461 120.200 0.148 0.000 2.110 469 E HA -0.194 4.162 4.350 0.009 0.000 0.193 469 E C 2.127 178.862 176.600 0.225 0.000 0.988 469 E CA 0.750 57.337 56.400 0.311 0.000 0.804 469 E CB -0.037 29.978 29.700 0.525 0.000 0.745 469 E HN 0.094 nan 8.360 nan 0.000 0.458 470 R N 0.695 121.257 120.500 0.104 0.000 2.073 470 R HA -0.149 4.197 4.340 0.009 0.000 0.234 470 R C 2.255 178.562 176.300 0.013 0.000 1.134 470 R CA 1.291 57.396 56.100 0.008 0.000 0.952 470 R CB -0.209 30.092 30.300 0.002 0.000 0.850 470 R HN 0.138 nan 8.270 nan 0.000 0.433 471 I N 0.256 120.853 120.570 0.045 0.000 2.226 471 I HA -0.271 3.904 4.170 0.009 0.000 0.245 471 I C 2.167 178.323 176.117 0.066 0.000 1.100 471 I CA 0.995 62.316 61.300 0.035 0.000 1.374 471 I CB -0.306 37.714 38.000 0.034 0.000 1.057 471 I HN 0.187 nan 8.210 nan 0.000 0.413 472 F N 1.807 121.715 119.950 -0.069 0.000 2.134 472 F HA -0.213 4.319 4.527 0.008 0.000 0.299 472 F C 2.398 178.175 175.800 -0.038 0.000 1.097 472 F CA 1.266 59.209 58.000 -0.094 0.000 1.264 472 F CB -0.596 38.284 39.000 -0.199 0.000 1.001 472 F HN 0.020 nan 8.300 nan 0.000 0.479 473 A N -0.006 122.736 122.820 -0.131 0.000 1.933 473 A HA -0.218 4.107 4.320 0.009 0.000 0.218 473 A C 2.163 179.604 177.584 -0.238 0.000 1.175 473 A CA 1.735 53.640 52.037 -0.219 0.000 0.628 473 A CB -0.822 18.085 19.000 -0.154 0.000 0.814 473 A HN 0.603 nan 8.150 nan 0.000 0.444 474 Q N -0.865 118.838 119.800 -0.162 0.000 2.119 474 Q HA -0.141 4.204 4.340 0.009 0.000 0.201 474 Q C 2.361 178.251 176.000 -0.184 0.000 0.972 474 Q CA 1.353 57.071 55.803 -0.141 0.000 0.847 474 Q CB -0.154 28.532 28.738 -0.087 0.000 0.903 474 Q HN 0.615 nan 8.270 nan 0.000 0.433 475 R N 0.320 120.693 120.500 -0.212 0.000 2.083 475 R HA -0.125 4.221 4.340 0.009 0.000 0.237 475 R C 2.287 178.289 176.300 -0.496 0.000 1.137 475 R CA 1.232 57.123 56.100 -0.347 0.000 0.951 475 R CB -0.260 29.903 30.300 -0.229 0.000 0.851 475 R HN 0.243 nan 8.270 nan 0.000 0.434 476 L N -0.138 120.876 121.223 -0.349 0.000 2.056 476 L HA -0.168 4.178 4.340 0.009 0.000 0.207 476 L C 2.487 179.293 176.870 -0.108 0.000 1.078 476 L CA 1.259 55.990 54.840 -0.182 0.000 0.749 476 L CB -0.335 41.478 42.059 -0.409 0.000 0.901 476 L HN 0.250 nan 8.230 nan 0.000 0.433 477 M N -0.406 119.079 119.600 -0.192 0.000 2.159 477 M HA -0.224 4.261 4.480 0.009 0.000 0.263 477 M C 2.320 178.609 176.300 -0.018 0.000 1.063 477 M CA 1.680 56.906 55.300 -0.124 0.000 1.110 477 M CB -0.271 32.245 32.600 -0.141 0.000 1.374 477 M HN 0.074 nan 8.290 nan 0.000 0.411 478 K N -0.299 120.054 120.400 -0.078 0.000 2.026 478 K HA -0.164 4.162 4.320 0.009 0.000 0.208 478 K C 1.775 178.416 176.600 0.069 0.000 1.048 478 K CA 1.556 57.808 56.287 -0.058 0.000 0.929 478 K CB -0.056 32.350 32.500 -0.157 0.000 0.713 478 K HN 0.176 nan 8.250 nan 0.000 0.439 479 Y N -0.338 120.081 120.300 0.198 0.000 2.097 479 Y HA -0.264 4.293 4.550 0.011 0.000 0.282 479 Y C 2.257 178.293 175.900 0.226 0.000 1.152 479 Y CA 1.067 59.321 58.100 0.256 0.000 1.136 479 Y CB -0.879 37.873 38.460 0.486 0.000 0.975 479 Y HN 0.239 nan 8.280 nan 0.000 0.498 480 W N 0.673 122.041 121.300 0.113 0.000 2.335 480 W HA -0.249 4.415 4.660 0.007 0.000 0.311 480 W C 2.490 179.003 176.519 -0.010 0.000 1.213 480 W CA 2.282 59.628 57.345 0.002 0.000 1.274 480 W CB -0.648 28.741 29.460 -0.118 0.000 1.148 480 W HN 0.245 nan 8.180 nan 0.000 0.498 481 T N -2.457 112.196 114.554 0.166 0.000 2.985 481 T HA -0.106 4.249 4.350 0.009 0.000 0.266 481 T C 1.387 176.111 174.700 0.039 0.000 1.076 481 T CA 1.038 63.169 62.100 0.052 0.000 1.135 481 T CB -0.527 68.350 68.868 0.016 0.000 0.890 481 T HN -0.071 nan 8.240 nan 0.000 0.480 482 N N 0.867 119.609 118.700 0.072 0.000 2.188 482 N HA 0.023 4.768 4.740 0.009 0.000 0.184 482 N C 1.333 176.840 175.510 -0.004 0.000 1.018 482 N CA 0.869 53.941 53.050 0.037 0.000 0.858 482 N CB -0.600 37.928 38.487 0.067 0.000 0.989 482 N HN 0.483 nan 8.380 nan 0.000 0.426 483 F N 1.733 121.598 119.950 -0.143 0.000 2.102 483 F HA -0.050 4.482 4.527 0.009 0.000 0.298 483 F C 2.174 177.892 175.800 -0.137 0.000 1.105 483 F CA 1.305 59.175 58.000 -0.217 0.000 1.239 483 F CB -0.464 38.317 39.000 -0.365 0.000 0.991 483 F HN 0.023 nan 8.300 nan 0.000 0.474 484 A N 0.460 123.198 122.820 -0.137 0.000 1.940 484 A HA -0.241 4.084 4.320 0.009 0.000 0.219 484 A C 2.371 179.838 177.584 -0.194 0.000 1.176 484 A CA 1.960 53.893 52.037 -0.172 0.000 0.631 484 A CB -0.853 18.113 19.000 -0.057 0.000 0.814 484 A HN 0.508 nan 8.150 nan 0.000 0.446 485 R N -1.031 119.383 120.500 -0.143 0.000 2.093 485 R HA -0.068 4.277 4.340 0.009 0.000 0.224 485 R C 1.796 178.014 176.300 -0.136 0.000 1.101 485 R CA 1.936 57.972 56.100 -0.107 0.000 0.979 485 R CB -0.028 30.237 30.300 -0.058 0.000 0.877 485 R HN 0.634 nan 8.270 nan 0.000 0.441 486 T N -5.795 108.653 114.554 -0.178 0.000 3.009 486 T HA 0.257 4.612 4.350 0.009 0.000 0.267 486 T C 1.025 175.604 174.700 -0.201 0.000 0.942 486 T CA 0.339 62.349 62.100 -0.148 0.000 0.883 486 T CB 1.166 69.983 68.868 -0.085 0.000 1.192 486 T HN 0.299 nan 8.240 nan 0.000 0.524 487 G N 1.311 109.869 108.800 -0.404 0.000 2.143 487 G HA2 -0.150 3.815 3.960 0.009 0.000 0.249 487 G HA3 -0.150 3.815 3.960 0.009 0.000 0.249 487 G C -0.388 174.441 174.900 -0.119 0.000 0.981 487 G CA 0.189 44.998 45.100 -0.486 0.000 0.665 487 G HN 0.811 nan 8.290 nan 0.000 0.528 488 D N -0.792 119.538 120.400 -0.118 0.000 2.763 488 D HA 0.442 5.087 4.640 0.009 0.000 0.235 488 D C -1.388 174.786 176.300 -0.210 0.000 1.334 488 D CA -1.525 52.388 54.000 -0.145 0.000 0.950 488 D CB 2.027 42.809 40.800 -0.030 0.000 1.433 488 D HN -0.012 nan 8.370 nan 0.000 0.580 489 P HA -0.038 nan 4.420 nan 0.000 0.229 489 P C 0.086 177.405 177.300 0.032 0.000 1.160 489 P CA 0.125 63.071 63.100 -0.257 0.000 0.777 489 P CB 0.356 31.621 31.700 -0.725 0.000 0.814 490 N N 1.800 120.486 118.700 -0.023 0.000 2.492 490 N HA -0.017 4.728 4.740 0.009 0.000 0.260 490 N C 0.191 175.773 175.510 0.120 0.000 1.215 490 N CA 0.539 53.669 53.050 0.133 0.000 0.923 490 N CB 0.384 38.940 38.487 0.115 0.000 1.092 490 N HN 0.076 nan 8.380 nan 0.000 0.448 491 D N 2.148 122.637 120.400 0.149 0.000 2.358 491 D HA 0.067 4.713 4.640 0.009 0.000 0.258 491 D C -1.351 174.993 176.300 0.073 0.000 1.223 491 D CA -1.411 52.646 54.000 0.094 0.000 0.886 491 D CB 1.210 42.061 40.800 0.085 0.000 1.120 491 D HN 0.269 nan 8.370 nan 0.000 0.482 492 P HA -0.100 nan 4.420 nan 0.000 0.215 492 P C 1.201 178.526 177.300 0.042 0.000 1.153 492 P CA 1.095 64.220 63.100 0.042 0.000 0.853 492 P CB 0.404 32.121 31.700 0.028 0.000 0.788 493 R N -0.706 119.817 120.500 0.038 0.000 2.062 493 R HA -0.001 4.344 4.340 0.009 0.000 0.226 493 R C 0.786 177.110 176.300 0.040 0.000 1.125 493 R CA 0.776 56.896 56.100 0.034 0.000 0.966 493 R CB -0.765 29.551 30.300 0.027 0.000 0.861 493 R HN 0.202 nan 8.270 nan 0.000 0.433 494 D N 1.304 121.732 120.400 0.047 0.000 2.325 494 D HA 0.057 4.703 4.640 0.009 0.000 0.251 494 D C -0.824 175.514 176.300 0.064 0.000 1.196 494 D CA -0.209 53.822 54.000 0.051 0.000 0.866 494 D CB 0.816 41.647 40.800 0.052 0.000 1.101 494 D HN 0.104 nan 8.370 nan 0.000 0.476 495 S N 1.858 117.592 115.700 0.057 0.000 2.634 495 S HA 0.755 5.231 4.470 0.009 0.000 0.296 495 S C 0.828 175.461 174.600 0.055 0.000 1.104 495 S CA 0.001 58.238 58.200 0.062 0.000 0.920 495 S CB 1.757 64.991 63.200 0.056 0.000 1.111 495 S HN 0.860 nan 8.310 nan 0.000 0.493 496 K N -0.603 119.832 120.400 0.058 0.000 3.154 496 K HA -0.188 4.137 4.320 0.009 0.000 0.381 496 K C 0.778 177.411 176.600 0.054 0.000 0.570 496 K CA 1.609 57.926 56.287 0.050 0.000 1.679 496 K CB -2.773 29.750 32.500 0.039 0.000 1.050 496 K HN 2.041 nan 8.250 nan 0.000 0.446 497 S N 3.174 118.910 115.700 0.061 0.000 2.546 497 S HA 0.436 4.911 4.470 0.009 0.000 0.290 497 S C -2.197 172.460 174.600 0.096 0.000 1.262 497 S CA -0.386 57.857 58.200 0.073 0.000 1.083 497 S CB 0.453 63.699 63.200 0.076 0.000 0.859 497 S HN 0.509 nan 8.310 nan 0.000 0.495 498 P HA 0.055 nan 4.420 nan 0.000 0.265 498 P C -0.450 176.929 177.300 0.132 0.000 1.187 498 P CA 0.011 63.165 63.100 0.091 0.000 0.766 498 P CB 0.337 32.074 31.700 0.062 0.000 0.820 499 Q N 1.217 121.096 119.800 0.132 0.000 2.259 499 Q HA 0.167 4.512 4.340 0.009 0.000 0.246 499 Q C -0.613 175.531 176.000 0.240 0.000 0.920 499 Q CA 0.030 55.944 55.803 0.185 0.000 0.895 499 Q CB 0.933 29.769 28.738 0.163 0.000 1.220 499 Q HN 0.552 nan 8.270 nan 0.000 0.439 500 W N 6.131 127.474 121.300 0.072 0.000 2.311 500 W HA 0.331 4.996 4.660 0.009 0.000 0.317 500 W C -2.476 174.182 176.519 0.231 0.000 1.065 500 W CA -2.525 54.875 57.345 0.092 0.000 1.364 500 W CB 0.580 30.021 29.460 -0.032 0.000 1.233 500 W HN 0.371 nan 8.180 nan 0.000 0.409 501 P HA 0.275 nan 4.420 nan 0.000 0.282 501 P C -2.595 174.943 177.300 0.398 0.000 1.249 501 P CA -1.822 61.514 63.100 0.393 0.000 0.806 501 P CB 0.851 32.688 31.700 0.227 0.000 0.984 502 P HA -0.021 nan 4.420 nan 0.000 0.265 502 P C -0.406 176.903 177.300 0.015 0.000 1.187 502 P CA 0.344 63.283 63.100 -0.269 0.000 0.766 502 P CB -0.038 31.485 31.700 -0.295 0.000 0.820 503 Y N 3.314 123.577 120.300 -0.061 0.000 2.526 503 Y HA 0.250 4.808 4.550 0.013 0.000 0.330 503 Y C 0.626 176.522 175.900 -0.005 0.000 1.156 503 Y CA 0.875 58.995 58.100 0.033 0.000 1.419 503 Y CB 0.295 38.788 38.460 0.056 0.000 1.250 503 Y HN 0.414 nan 8.280 nan 0.000 0.540 504 T N -0.014 114.243 114.554 -0.495 0.000 2.901 504 T HA 0.248 4.603 4.350 0.009 0.000 0.293 504 T C 0.852 175.285 174.700 -0.445 0.000 1.084 504 T CA -0.247 61.667 62.100 -0.309 0.000 1.008 504 T CB 1.275 70.047 68.868 -0.159 0.000 1.170 504 T HN 0.623 nan 8.240 nan 0.000 0.509 505 T N -0.958 113.489 114.554 -0.179 0.000 2.821 505 T HA 0.035 4.390 4.350 0.009 0.000 0.267 505 T C 2.263 176.898 174.700 -0.108 0.000 1.046 505 T CA 0.909 62.943 62.100 -0.111 0.000 1.139 505 T CB -0.794 68.070 68.868 -0.007 0.000 0.871 505 T HN 0.839 nan 8.240 nan 0.000 0.454 506 A N 1.576 124.340 122.820 -0.093 0.000 1.897 506 A HA 0.528 4.853 4.320 0.009 0.000 0.215 506 A C 2.607 180.150 177.584 -0.069 0.000 1.181 506 A CA 1.530 53.531 52.037 -0.059 0.000 0.620 506 A CB -0.996 17.982 19.000 -0.037 0.000 0.821 506 A HN 0.727 nan 8.150 nan 0.000 0.443 507 A N -2.399 120.355 122.820 -0.110 0.000 2.140 507 A HA 0.310 4.635 4.320 0.009 0.000 0.209 507 A C 0.925 178.441 177.584 -0.114 0.000 1.181 507 A CA 0.800 52.787 52.037 -0.083 0.000 0.824 507 A CB -0.128 18.839 19.000 -0.054 0.000 0.879 507 A HN 0.486 nan 8.150 nan 0.000 0.480 508 Q N -0.136 119.476 119.800 -0.314 0.000 2.453 508 Q HA -0.218 4.127 4.340 0.009 0.000 0.294 508 Q C -0.714 175.305 176.000 0.031 0.000 1.295 508 Q CA 0.697 56.254 55.803 -0.410 0.000 0.853 508 Q CB -1.754 26.950 28.738 -0.057 0.000 1.193 508 Q HN 0.833 nan 8.270 nan 0.000 0.461 509 Q N 0.285 120.104 119.800 0.031 0.000 2.293 509 Q HA 0.515 4.861 4.340 0.009 0.000 0.251 509 Q C -0.370 175.923 176.000 0.489 0.000 0.930 509 Q CA -0.032 55.900 55.803 0.215 0.000 0.893 509 Q CB 0.672 29.479 28.738 0.115 0.000 1.215 509 Q HN 0.344 nan 8.270 nan 0.000 0.425 510 Y N -1.816 118.623 120.300 0.232 0.000 2.670 510 Y HA 0.703 5.263 4.550 0.017 0.000 0.334 510 Y C -1.272 174.647 175.900 0.032 0.000 1.185 510 Y CA -1.489 56.745 58.100 0.223 0.000 1.053 510 Y CB 0.509 39.102 38.460 0.222 0.000 1.298 510 Y HN 0.359 nan 8.280 nan 0.000 0.459 511 V N -0.430 119.411 119.914 -0.121 0.000 2.919 511 V HA 0.860 4.985 4.120 0.009 0.000 0.316 511 V C -0.276 175.721 176.094 -0.162 0.000 1.077 511 V CA -0.582 61.490 62.300 -0.379 0.000 0.977 511 V CB 1.337 32.667 31.823 -0.821 0.000 1.039 511 V HN 1.214 nan 8.190 nan 0.000 0.441 512 S N 3.435 119.037 115.700 -0.163 0.000 2.513 512 S HA 0.703 5.178 4.470 0.009 0.000 0.276 512 S C -0.464 174.105 174.600 -0.052 0.000 1.254 512 S CA -0.664 57.515 58.200 -0.034 0.000 1.053 512 S CB 0.623 63.794 63.200 -0.049 0.000 0.958 512 S HN 0.755 nan 8.310 nan 0.000 0.491 513 L N 4.194 125.439 121.223 0.036 0.000 2.277 513 L HA 0.518 4.863 4.340 0.009 0.000 0.284 513 L C -0.239 176.542 176.870 -0.148 0.000 1.028 513 L CA -0.417 54.465 54.840 0.070 0.000 0.835 513 L CB -0.027 42.173 42.059 0.236 0.000 1.215 513 L HN 0.938 nan 8.230 nan 0.000 0.425 514 N N 2.181 120.717 118.700 -0.273 0.000 3.449 514 N HA 0.302 5.048 4.740 0.009 0.000 0.312 514 N C 0.150 175.088 175.510 -0.952 0.000 1.582 514 N CA -0.956 51.657 53.050 -0.729 0.000 0.850 514 N CB 0.581 38.832 38.487 -0.394 0.000 1.822 514 N HN 0.193 nan 8.380 nan 0.000 0.577 515 L N -1.121 119.572 121.223 -0.883 0.000 2.362 515 L HA 0.107 4.452 4.340 0.009 0.000 0.219 515 L C 0.576 177.258 176.870 -0.314 0.000 1.134 515 L CA 0.910 55.341 54.840 -0.681 0.000 0.807 515 L CB -0.496 41.253 42.059 -0.518 0.000 0.927 515 L HN 0.395 nan 8.230 nan 0.000 0.447 516 K N -0.019 120.237 120.400 -0.240 0.000 2.098 516 K HA 0.289 4.614 4.320 0.009 0.000 0.257 516 K C -2.189 174.370 176.600 -0.069 0.000 0.999 516 K CA -1.827 54.386 56.287 -0.122 0.000 0.924 516 K CB 0.474 32.913 32.500 -0.103 0.000 1.028 516 K HN -0.232 nan 8.250 nan 0.000 0.466 517 P HA -0.021 nan 4.420 nan 0.000 0.269 517 P C -0.568 176.735 177.300 0.005 0.000 1.209 517 P CA -0.139 62.971 63.100 0.017 0.000 0.776 517 P CB 0.377 32.088 31.700 0.019 0.000 0.876 518 L N 1.727 122.970 121.223 0.033 0.000 2.678 518 L HA -0.114 4.232 4.340 0.009 0.000 0.285 518 L C 1.139 177.972 176.870 -0.062 0.000 1.233 518 L CA 0.887 55.705 54.840 -0.036 0.000 0.920 518 L CB -0.340 41.692 42.059 -0.045 0.000 1.176 518 L HN 0.509 nan 8.230 nan 0.000 0.495 519 E N 3.516 123.654 120.200 -0.104 0.000 2.187 519 E HA 0.386 4.741 4.350 0.009 0.000 0.268 519 E C -1.298 175.201 176.600 -0.168 0.000 0.896 519 E CA -0.833 55.504 56.400 -0.105 0.000 0.766 519 E CB 1.887 31.534 29.700 -0.088 0.000 1.142 519 E HN 0.299 nan 8.360 nan 0.000 0.408 520 V N 5.447 125.275 119.914 -0.144 0.000 2.408 520 V HA 0.333 4.458 4.120 0.009 0.000 0.267 520 V C 0.283 176.237 176.094 -0.233 0.000 1.047 520 V CA -0.200 61.992 62.300 -0.181 0.000 0.937 520 V CB 0.720 32.495 31.823 -0.080 0.000 0.999 520 V HN 0.675 nan 8.190 nan 0.000 0.472 521 R N 4.194 124.419 120.500 -0.459 0.000 2.787 521 R HA 0.727 5.072 4.340 0.009 0.000 0.271 521 R C -0.624 175.469 176.300 -0.346 0.000 0.993 521 R CA -0.958 54.852 56.100 -0.485 0.000 0.993 521 R CB 2.156 32.032 30.300 -0.707 0.000 1.155 521 R HN 0.588 nan 8.270 nan 0.000 0.486 522 R N 0.165 120.656 120.500 -0.015 0.000 2.494 522 R HA 0.462 4.808 4.340 0.009 0.000 0.305 522 R C -0.670 175.833 176.300 0.339 0.000 0.959 522 R CA -0.442 55.759 56.100 0.169 0.000 0.864 522 R CB 2.111 32.462 30.300 0.084 0.000 1.159 522 R HN 0.896 nan 8.270 nan 0.000 0.446 523 G N 2.793 111.840 108.800 0.413 0.000 3.445 523 G HA2 -0.213 3.752 3.960 0.009 0.000 0.680 523 G HA3 -0.213 3.752 3.960 0.009 0.000 0.680 523 G C -0.636 174.416 174.900 0.254 0.000 0.972 523 G CA -0.899 44.383 45.100 0.303 0.000 0.798 523 G HN 0.553 nan 8.290 nan 0.000 0.461 524 L N 3.326 124.599 121.223 0.083 0.000 2.401 524 L HA 0.399 4.745 4.340 0.009 0.000 0.283 524 L C 1.396 178.259 176.870 -0.011 0.000 1.151 524 L CA -0.541 54.191 54.840 -0.181 0.000 0.942 524 L CB -0.039 41.840 42.059 -0.299 0.000 1.283 524 L HN 0.863 nan 8.230 nan 0.000 0.442 525 R N 2.660 123.192 120.500 0.054 0.000 3.333 525 R HA -0.267 4.079 4.340 0.009 0.000 0.256 525 R C 1.154 177.540 176.300 0.143 0.000 1.010 525 R CA 0.705 56.875 56.100 0.118 0.000 0.680 525 R CB -1.379 28.996 30.300 0.125 0.000 1.102 525 R HN 0.794 nan 8.270 nan 0.000 0.440 526 A N 0.011 122.913 122.820 0.138 0.000 1.865 526 A HA -0.256 4.069 4.320 0.009 0.000 0.217 526 A C 1.783 179.454 177.584 0.145 0.000 1.191 526 A CA 1.520 53.639 52.037 0.138 0.000 0.623 526 A CB -0.254 18.823 19.000 0.130 0.000 0.826 526 A HN 0.518 nan 8.150 nan 0.000 0.444 527 Q N -0.663 119.221 119.800 0.140 0.000 2.050 527 Q HA -0.122 4.224 4.340 0.009 0.000 0.202 527 Q C 2.270 178.387 176.000 0.194 0.000 0.980 527 Q CA 2.127 58.017 55.803 0.145 0.000 0.840 527 Q CB -1.196 27.613 28.738 0.118 0.000 0.898 527 Q HN 0.656 nan 8.270 nan 0.000 0.424 528 T N 0.553 115.245 114.554 0.229 0.000 2.821 528 T HA -0.114 4.241 4.350 0.009 0.000 0.267 528 T C 2.009 176.925 174.700 0.359 0.000 1.046 528 T CA 1.161 63.427 62.100 0.275 0.000 1.139 528 T CB -0.252 68.814 68.868 0.332 0.000 0.871 528 T HN 0.322 nan 8.240 nan 0.000 0.454 529 c N 1.578 120.377 118.600 0.332 0.000 2.448 529 c HA 0.257 4.833 4.570 0.009 0.000 0.280 529 c C 3.090 177.339 174.090 0.265 0.000 1.398 529 c CA -0.037 56.499 56.329 0.346 0.000 1.774 529 c CB -1.409 41.235 42.510 0.224 0.000 1.888 529 c HN 0.633 nan 8.230 nan 0.000 0.519 530 A N 0.121 123.065 122.820 0.207 0.000 1.969 530 A HA -0.161 4.164 4.320 0.009 0.000 0.218 530 A C 1.845 179.527 177.584 0.163 0.000 1.169 530 A CA 1.381 53.516 52.037 0.162 0.000 0.635 530 A CB -0.730 18.351 19.000 0.136 0.000 0.810 530 A HN 0.547 nan 8.150 nan 0.000 0.445 531 F N -0.726 119.209 119.950 -0.025 0.000 2.075 531 F HA -0.180 4.351 4.527 0.007 0.000 0.297 531 F C 1.937 177.672 175.800 -0.108 0.000 1.113 531 F CA 1.827 59.726 58.000 -0.168 0.000 1.218 531 F CB -0.517 38.123 39.000 -0.599 0.000 0.984 531 F HN 0.379 nan 8.300 nan 0.000 0.472 532 W N 0.526 121.815 121.300 -0.018 0.000 2.409 532 W HA -0.122 4.542 4.660 0.006 0.000 0.299 532 W C 2.114 178.579 176.519 -0.090 0.000 1.203 532 W CA 1.028 58.319 57.345 -0.090 0.000 1.298 532 W CB -0.504 29.022 29.460 0.111 0.000 1.127 532 W HN -0.026 nan 8.180 nan 0.000 0.528 533 N N -0.644 118.167 118.700 0.185 0.000 2.388 533 N HA 0.062 4.808 4.740 0.009 0.000 0.176 533 N C 1.449 176.988 175.510 0.048 0.000 1.062 533 N CA 0.757 53.871 53.050 0.106 0.000 0.895 533 N CB -0.096 38.456 38.487 0.109 0.000 1.018 533 N HN 0.230 nan 8.380 nan 0.000 0.456 534 R N -1.341 119.188 120.500 0.048 0.000 2.194 534 R HA 0.243 4.588 4.340 0.009 0.000 0.194 534 R C 1.304 177.620 176.300 0.026 0.000 0.985 534 R CA 0.045 56.172 56.100 0.045 0.000 1.104 534 R CB -0.029 30.321 30.300 0.083 0.000 1.092 534 R HN 0.051 nan 8.270 nan 0.000 0.555 535 F N 0.926 120.784 119.950 -0.153 0.000 2.274 535 F HA 0.093 4.626 4.527 0.009 0.000 0.288 535 F C 1.785 177.422 175.800 -0.271 0.000 1.069 535 F CA 0.565 58.451 58.000 -0.191 0.000 1.343 535 F CB -0.140 38.755 39.000 -0.175 0.000 1.089 535 F HN -0.170 nan 8.300 nan 0.000 0.517 536 L N 1.298 122.201 121.223 -0.533 0.000 2.013 536 L HA -0.125 4.220 4.340 0.009 0.000 0.212 536 L C -0.771 175.870 176.870 -0.382 0.000 1.073 536 L CA 2.287 56.786 54.840 -0.568 0.000 0.753 536 L CB -1.757 39.998 42.059 -0.506 0.000 0.890 536 L HN 0.045 nan 8.230 nan 0.000 0.432 537 P HA -0.214 nan 4.420 nan 0.000 0.214 537 P C 1.446 178.615 177.300 -0.217 0.000 1.163 537 P CA 1.603 64.602 63.100 -0.169 0.000 0.889 537 P CB -0.041 31.599 31.700 -0.100 0.000 0.790 538 K N -1.172 119.068 120.400 -0.266 0.000 2.211 538 K HA -0.153 4.172 4.320 0.009 0.000 0.204 538 K C 1.908 178.311 176.600 -0.328 0.000 1.047 538 K CA 0.828 56.961 56.287 -0.256 0.000 0.935 538 K CB -0.714 31.656 32.500 -0.216 0.000 0.728 538 K HN 0.046 nan 8.250 nan 0.000 0.452 539 L N 1.099 122.016 121.223 -0.510 0.000 2.027 539 L HA -0.140 4.205 4.340 0.009 0.000 0.206 539 L C 2.020 178.752 176.870 -0.230 0.000 1.074 539 L CA 1.338 55.922 54.840 -0.427 0.000 0.745 539 L CB -0.648 41.088 42.059 -0.539 0.000 0.898 539 L HN 0.106 nan 8.230 nan 0.000 0.433 540 L N -0.309 120.793 121.223 -0.203 0.000 1.970 540 L HA -0.177 4.168 4.340 0.009 0.000 0.212 540 L C 2.254 179.065 176.870 -0.098 0.000 1.071 540 L CA 2.182 56.948 54.840 -0.124 0.000 0.751 540 L CB -0.901 41.095 42.059 -0.104 0.000 0.889 540 L HN 0.483 nan 8.230 nan 0.000 0.432 541 S N -1.188 114.451 115.700 -0.101 0.000 2.954 541 S HA 0.400 4.875 4.470 0.009 0.000 0.234 541 S C 0.876 175.435 174.600 -0.070 0.000 0.978 541 S CA 0.283 58.438 58.200 -0.075 0.000 1.045 541 S CB -0.247 62.913 63.200 -0.067 0.000 0.807 541 S HN 0.620 nan 8.310 nan 0.000 0.508 542 A N 0.851 123.625 122.820 -0.077 0.000 1.633 542 A HA 0.380 4.705 4.320 0.009 0.000 0.212 542 A C 0.889 178.442 177.584 -0.051 0.000 1.823 542 A CA 0.354 52.355 52.037 -0.061 0.000 1.343 542 A CB -0.742 18.218 19.000 -0.067 0.000 1.309 542 A HN 0.784 nan 8.150 nan 0.000 0.404 543 T N 0.000 114.516 114.554 -0.063 0.000 3.816 543 T HA 0.000 4.355 4.350 0.009 0.000 0.228 543 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 543 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658